0 B7R1.3 CN1CC=CCC1 2230a_100000698166_200000210301 [0,0,0,0,0,0|2,0,2]=4 1 B7R1.3 CN1CC=CCC1 269982a_100000698166_200000210301 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.3 CN1CC=CCC1 34a_100000698166_200000210301 [0,0,0,0,0,0|2,0,2]=4 3 B7R1.3 CN1CCCOC1 2230a_100000131196_200000210301 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.3 CN1CCCOC1 269982a_100000131196_200000210301 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.3 CN1CCCOC1 34a_100000131196_200000210301 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.3 CN1CCOCC1 2230a_100015191051_200000210301 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.3 CN1CCOCC1 269982a_100015191051_200000210301 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.3 CN1CCOCC1 34a_100015191051_200000210301 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.3 CN1CCSCC1 2230a_100000737611_200000210301 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.3 CN1CCSCC1 269982a_100000737611_200000210301 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.3 [13CH3]N1CC=CCC1 2230a_100000698166_200025704644 [0,0,0,0,0,0|2,0,2]=4 12 B7R1.3 [13CH3]N1CC=CCC1 269982a_100000698166_200025704644 [0,0,0,0,0,0|2,0,2]=4 13 B7R1.3 [13CH3]N1CC=CCC1 34a_100000698166_200025704644 [0,0,0,0,0,0|2,0,2]=4 14 B7R1.3 [13CH3]N1CCCOC1 2230a_100000131196_200025704644 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.3 [13CH3]N1CCCOC1 269982a_100000131196_200025704644 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.3 [13CH3]N1CCCOC1 34a_100000131196_200025704644 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.3 [13CH3]N1CCOCC1 2230a_100015191051_200025704644 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.3 [13CH3]N1CCOCC1 269982a_100015191051_200025704644 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.3 [13CH3]N1CCOCC1 34a_100015191051_200025704644 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.3 [13CH3]N1CCSCC1 2230a_100000737611_200025704644 [0,0,0,0,0,0|3,0,0]=3 21 B7R1.3 [13CH3]N1CCSCC1 269982a_100000737611_200025704644 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.2 CCN1CCCOC1 2230a_100000131196_100000210202 [0,1,0,0,0,0|3,0,0]=4 23 B8R1.2 CCN1CCCOC1 269982a_100000131196_100000204670 [0,1,0,0,0,0|3,0,0]=4 24 B8R1.2 CCN1CCCOC1 34a_100000131196_100000210202 [0,1,0,0,0,0|3,0,0]=4 25 B8R1.2 CCN1CCOCC1 2230a_100015191051_100000210202 [0,1,0,0,0,0|3,0,0]=4 26 B8R1.2 CCN1CCOCC1 269982a_100015191051_100000204670 [0,1,0,0,0,0|3,0,0]=4 27 B8R1.2 CCN1CCOCC1 34a_100015191051_100000210202 [0,1,0,0,0,0|3,0,0]=4 28 B8R1.2 CCN1CCSCC1 2230a_100000737611_100000210202 [0,1,0,0,0,0|3,0,0]=4 29 B8R1.2 CCN1CCSCC1 269982a_100000737611_100000204670 [0,1,0,0,0,0|3,0,0]=4 30 B8R1.2 CNC1C=CCCC1 2230a_106832991635_100000751183 [0,1,0,0,0,0|1,0,2]=4 31 B8R1.2 CNC1C=CCCC1 7a_106832991635_100000751183 [0,1,0,0,0,0|1,0,2]=4 32 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [0,1,0,0,0,0|1,0,0]=2 33 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [0,1,0,0,0,0|1,0,0]=2 34 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [0,1,0,0,0,0|1,0,0]=2 35 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [0,1,0,0,0,0|1,0,0]=2 36 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [0,1,0,0,0,0|1,0,0]=2 37 B8R1.2 CNC1CCCOC1 2230a_100000719290_200000210301 [0,1,0,0,0,0|2,0,0]=3 38 B8R1.2 CNC1CCCOC1 270004a_106832991635_100000753404 [0,1,0,0,0,0|2,0,0]=3 39 B8R1.2 CNC1CCCOC1 34a_100000719290_200000210301 [0,1,0,0,0,0|2,0,0]=3 40 B8R1.2 CNC1CCCOC1 34a_100102657272_100000693364 [0,1,0,0,0,0|2,0,0]=3 41 B8R1.2 CNC1CCCOC1 7a_106832991635_100000693364 [0,1,0,0,0,0|2,0,0]=3 42 B8R1.2 CNC1CCCSC1 270004a_106832991635_100000057913 [0,1,0,0,0,0|2,0,0]=3 43 B8R1.2 CNC1CCNCC1 270004a_106832991635_100015192401 [0,1,0,0,0,0|2,0,0]=3 44 B8R1.2 CNC1CCOCC1 2230a_100000741149_200000210301 [0,1,0,0,0,0|2,0,0]=3 45 B8R1.2 CNC1CCOCC1 270004a_106832991635_100011217826 [0,1,0,0,0,0|2,0,0]=3 46 B8R1.2 CNC1CCOCC1 34a_100000741149_200000210301 [0,1,0,0,0,0|2,0,0]=3 47 B8R1.2 CNC1CCOCC1 7a_106832991635_100000686592 [0,1,0,0,0,0|2,0,0]=3 48 B8R1.2 CNC1CCSCC1 2230a_100000748639_200000210301 [0,1,0,0,0,0|2,0,0]=3 49 B8R1.2 CNC1CCSCC1 270004a_106832991635_100000203788 [0,1,0,0,0,0|2,0,0]=3 50 B8R1.2 CNC1CCSCC1 34a_100000748639_200000210301 [0,1,0,0,0,0|2,0,0]=3 51 B8R1.2 CNC1CCSCC1 34a_100102657272_100000069128 [0,1,0,0,0,0|2,0,0]=3 52 B8R1.2 CNC1CCSCC1 7a_106832991635_100011500858 [0,1,0,0,0,0|2,0,0]=3 53 B8R1.2 COC1C=CCCC1 34a_100011215024_200000210301 [0,1,0,0,0,0|0,0,2]=3 54 B8R1.2 COC1CC=CCC1 34a_100000073881_200000210301 [0,1,0,0,0,0|0,0,2]=3 55 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [0,1,0,0,0,0|0,0,0]=1 56 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [0,1,0,0,0,0|0,0,0]=1 57 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [0,1,0,0,0,0|0,0,0]=1 58 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [0,1,0,0,0,0|1,0,0]=2 59 B8R1.2 COC1CCCOC1 34a_100000754041_200000210301 [0,1,0,0,0,0|1,0,0]=2 60 B8R1.2 COC1CCCOC1 34a_100138415774_100000693364 [0,1,0,0,0,0|1,0,0]=2 61 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [0,1,0,0,0,0|1,0,0]=2 62 B8R1.2 COC1CCOCC1 34a_100000744328_200000210301 [0,1,0,0,0,0|1,0,0]=2 63 B8R1.2 COC1CCSCC1 34a_100000731022_200000210301 [0,1,0,0,0,0|1,0,0]=2 64 B8R1.2 COC1CCSCC1 34a_100138415774_100000069128 [0,1,0,0,0,0|1,0,0]=2 65 B8R1.2 COC1CCSCC1 7a_100000731022_200000210301 [0,1,0,0,0,0|1,0,0]=2 66 B8R1.2 CSC1C=CCCC1 62a_100000751183_200000210301 [0,1,0,0,0,0|0,1,2]=4 67 B8R1.2 CSC1C=CCCC1 62a_200000210301_100000751183 [0,1,0,0,0,0|0,1,2]=4 68 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [0,1,0,0,0,0|0,1,0]=2 69 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [0,1,0,0,0,0|0,1,0]=2 70 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [0,1,0,0,0,0|1,1,0]=3 71 B8R1.2 CSC1CCOCC1 62a_200000210301_100011324220 [0,1,0,0,0,0|1,1,0]=3 72 B8R1.2 CSC1CCSCC1 62a_200000210301_100000069128 [0,1,0,0,0,0|1,1,0]=3 73 B8R1.2 FCN1CCCOC1 269982a_100000131196_100015361967 [0,1,0,0,0,0|3,0,0]=4 74 B8R1.2 FCN1CCCOC1 34a_100000131196_100015361967 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.2 FCN1CCOCC1 269982a_100015191051_100015361967 [0,1,0,0,0,0|3,0,0]=4 76 B8R1.2 FCN1CCOCC1 34a_100015191051_100015361967 [0,1,0,0,0,0|3,0,0]=4 77 B8R1.2 FCN1CCSCC1 269982a_100000737611_100015361967 [0,1,0,0,0,0|3,0,0]=4 78 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [0,1,0,0,0,0|1,0,0]=2 79 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [0,1,0,0,0,0|1,0,0]=2 80 B8R1.2 [13CH3]NC1CCCOC1 2230a_100000719290_200025704644 [0,1,0,0,0,0|2,0,0]=3 81 B8R1.2 [13CH3]NC1CCCOC1 34a_100000719290_200025704644 [0,1,0,0,0,0|2,0,0]=3 82 B8R1.2 [13CH3]NC1CCOCC1 2230a_100000741149_200025704644 [0,1,0,0,0,0|2,0,0]=3 83 B8R1.2 [13CH3]NC1CCOCC1 34a_100000741149_200025704644 [0,1,0,0,0,0|2,0,0]=3 84 B8R1.2 [13CH3]NC1CCSCC1 2230a_100000748639_200025704644 [0,1,0,0,0,0|2,0,0]=3 85 B8R1.2 [13CH3]NC1CCSCC1 34a_100000748639_200025704644 [0,1,0,0,0,0|2,0,0]=3 86 B8R1.2 [13CH3]OC1C=CCCC1 34a_100011215024_200025704644 [0,1,0,0,0,0|0,0,2]=3 87 B8R1.2 [13CH3]OC1CC=CCC1 34a_100000073881_200025704644 [0,1,0,0,0,0|0,0,2]=3 88 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [0,1,0,0,0,0|0,0,0]=1 89 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [0,1,0,0,0,0|0,0,0]=1 90 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [0,1,0,0,0,0|1,0,0]=2 91 B8R1.2 [13CH3]OC1CCCOC1 34a_100000754041_200025704644 [0,1,0,0,0,0|1,0,0]=2 92 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [0,1,0,0,0,0|1,0,0]=2 93 B8R1.2 [13CH3]OC1CCOCC1 34a_100000744328_200025704644 [0,1,0,0,0,0|1,0,0]=2 94 B8R1.2 [13CH3]OC1CCSCC1 34a_100000731022_200025704644 [0,1,0,0,0,0|1,0,0]=2 95 B8R1.2 [13CH3]OC1CCSCC1 7a_100000731022_200025704644 [0,1,0,0,0,0|1,0,0]=2 96 B8R1.2 [13CH3]SC1C=CCCC1 62a_100000751183_200025704644 [0,1,0,0,0,0|0,1,2]=4 97 B8R1.2 [13CH3]SC1C=CCCC1 62a_200025704644_100000751183 [0,1,0,0,0,0|0,1,2]=4 98 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [0,1,0,0,0,0|0,1,0]=2 99 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [0,1,0,0,0,0|0,1,0]=2 100 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [0,1,0,0,0,0|1,1,0]=3 101 B8R1.2 [13CH3]SC1CCOCC1 62a_200025704644_100011324220 [0,1,0,0,0,0|1,1,0]=3 102 B8R1.2 [13CH3]SC1CCSCC1 62a_200025704644_100000069128 [0,1,0,0,0,0|1,1,0]=3 103 B8R1.3 C=C1CCN(CC1)C 2230a_100000752442_200000210301 [0,1,0,0,0,0|2,0,1]=4 104 B8R1.3 C=C1CCN(CC1)C 269982a_100000752442_200000210301 [0,1,0,0,0,0|2,0,1]=4 105 B8R1.3 C=C1CCN(CC1)C 34a_100000752442_200000210301 [0,1,0,0,0,0|2,0,1]=4 106 B8R1.3 C=C1CCN(CC1)[13CH3] 2230a_100000752442_200025704644 [0,1,0,0,0,0|2,0,1]=4 107 B8R1.3 C=C1CCN(CC1)[13CH3] 269982a_100000752442_200025704644 [0,1,0,0,0,0|2,0,1]=4 108 B8R1.3 C=C1CCN(CC1)[13CH3] 34a_100000752442_200025704644 [0,1,0,0,0,0|2,0,1]=4 109 B8R1.3 CC1CCN(CC1)C 2230a_100000188429_200000210301 [0,1,0,0,0,0|2,0,0]=3 110 B8R1.3 CC1CCN(CC1)C 269982a_100000188429_200000210301 [0,1,0,0,0,0|2,0,0]=3 111 B8R1.3 CC1CCN(CC1)C 34a_100000188429_200000210301 [0,1,0,0,0,0|2,0,0]=3 112 B8R1.3 CC1CCN(CC1)[13CH3] 2230a_100000188429_200025704644 [0,1,0,0,0,0|2,0,0]=3 113 B8R1.3 CC1CCN(CC1)[13CH3] 269982a_100000188429_200025704644 [0,1,0,0,0,0|2,0,0]=3 114 B8R1.3 CC1CCN(CC1)[13CH3] 34a_100000188429_200025704644 [0,1,0,0,0,0|2,0,0]=3 115 B8R1.3 CN1CCC(CC1)F 2230a_100015193889_200000210301 [0,1,0,0,0,0|2,0,0]=3 116 B8R1.3 CN1CCC(CC1)F 269982a_100015193889_200000210301 [0,1,0,0,0,0|2,0,0]=3 117 B8R1.3 CN1CCC(CC1)F 34a_100015193889_200000210301 [0,1,0,0,0,0|2,0,0]=3 118 B8R1.3 CN1CCC(CC1)O 2230a_100025773856_200000210301 [0,1,0,0,0,0|1,0,0]=2 119 B8R1.3 CN1CCC(CC1)O 269982a_100025773856_200000210301 [0,1,0,0,0,0|1,0,0]=2 120 B8R1.3 CN1CCN(CC1)C 2230a_100000188432_200000210301 [0,1,0,0,0,0|3,0,0]=4 121 B8R1.3 CN1CCN(CC1)C 269982a_100000188432_200000210301 [0,1,0,0,0,0|3,0,0]=4 122 B8R1.3 CN1CCN(CC1)[13CH3] 2230a_100000188432_200025704644 [0,1,0,0,0,0|3,0,0]=4 123 B8R1.3 CN1CCN(CC1)[13CH3] 269982a_100000188432_200025704644 [0,1,0,0,0,0|3,0,0]=4 124 B8R1.3 CN1CCS(=O)CC1 2230a_100000752083_200000210301 [0,1,0,0,0,0|2,0,1]=4 125 B8R1.3 CN1CCS(=O)CC1 269982a_100000752083_200000210301 [0,1,0,0,0,0|2,0,1]=4 126 B8R1.3 [13CH3]N1CCC(CC1)F 2230a_100015193889_200025704644 [0,1,0,0,0,0|2,0,0]=3 127 B8R1.3 [13CH3]N1CCC(CC1)F 269982a_100015193889_200025704644 [0,1,0,0,0,0|2,0,0]=3 128 B8R1.3 [13CH3]N1CCC(CC1)F 34a_100015193889_200025704644 [0,1,0,0,0,0|2,0,0]=3 129 B8R1.3 [13CH3]N1CCC(CC1)O 2230a_100025773856_200025704644 [0,1,0,0,0,0|1,0,0]=2 130 B8R1.3 [13CH3]N1CCC(CC1)O 269982a_100025773856_200025704644 [0,1,0,0,0,0|1,0,0]=2 131 B8R1.3 [13CH3]N1CCS(=O)CC1 2230a_100000752083_200025704644 [0,1,0,0,0,0|2,0,1]=4 132 B8R1.3 [13CH3]N1CCS(=O)CC1 269982a_100000752083_200025704644 [0,1,0,0,0,0|2,0,1]=4 133 B8R1.4 CC1CN(CCO1)C 2230a_100000729577_200000210301 [0,1,0,0,0,0|3,0,0]=4 134 B8R1.4 CC1CN(CCO1)C 269982a_100000729577_200000210301 [0,1,0,0,0,0|3,0,0]=4 135 B8R1.4 CC1CN(CCO1)C 34a_100000729577_200000210301 [0,1,0,0,0,0|3,0,0]=4 136 B8R1.4 CC1CN(CCO1)[13CH3] 2230a_100000729577_200025704644 [0,1,0,0,0,0|3,0,0]=4 137 B8R1.4 CC1CN(CCO1)[13CH3] 269982a_100000729577_200025704644 [0,1,0,0,0,0|3,0,0]=4 138 B8R1.4 CC1CN(CCO1)[13CH3] 34a_100000729577_200025704644 [0,1,0,0,0,0|3,0,0]=4 139 B8R1.4 CN1CCCC(C1)F 2230a_100000697950_200000210301 [0,1,0,0,0,0|2,0,0]=3 140 B8R1.4 CN1CCCC(C1)F 269982a_100000697950_200000210301 [0,1,0,0,0,0|2,0,0]=3 141 B8R1.4 CN1CCCC(C1)F 34a_100000697950_200000210301 [0,1,0,0,0,0|2,0,0]=3 142 B8R1.4 CN1CCCC(C1)O 2230a_100000211013_200000210301 [0,1,0,0,0,0|1,0,0]=2 143 B8R1.4 CN1CCCC(C1)O 269982a_100000211013_200000210301 [0,1,0,0,0,0|1,0,0]=2 144 B8R1.4 CN1CCOC(C1)O 2230a_100000688207_200000210301 [0,1,0,0,0,0|2,0,0]=3 145 B8R1.4 CN1CCOC(C1)O 269982a_100000688207_200000210301 [0,1,0,0,0,0|2,0,0]=3 146 B8R1.4 C[C@H]1CCCN(C1)C 2230a_100000717927_200000210301 [0,1,0,0,0,0|2,0,0]=3 147 B8R1.4 C[C@H]1CCCN(C1)C 269982a_100000717927_200000210301 [0,1,0,0,0,0|2,0,0]=3 148 B8R1.4 C[C@H]1CCCN(C1)C 34a_100000717927_200000210301 [0,1,0,0,0,0|2,0,0]=3 149 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 2230a_100000717927_200025704644 [0,1,0,0,0,0|2,0,0]=3 150 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 269982a_100000717927_200025704644 [0,1,0,0,0,0|2,0,0]=3 151 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 34a_100000717927_200025704644 [0,1,0,0,0,0|2,0,0]=3 152 B8R1.4 [13CH3]N1CCCC(C1)F 2230a_100000697950_200025704644 [0,1,0,0,0,0|2,0,0]=3 153 B8R1.4 [13CH3]N1CCCC(C1)F 269982a_100000697950_200025704644 [0,1,0,0,0,0|2,0,0]=3 154 B8R1.4 [13CH3]N1CCCC(C1)F 34a_100000697950_200025704644 [0,1,0,0,0,0|2,0,0]=3 155 B8R1.4 [13CH3]N1CCCC(C1)O 2230a_100000211013_200025704644 [0,1,0,0,0,0|1,0,0]=2 156 B8R1.4 [13CH3]N1CCCC(C1)O 269982a_100000211013_200025704644 [0,1,0,0,0,0|1,0,0]=2 157 B8R1.4 [13CH3]N1CCOC(C1)O 2230a_100000688207_200025704644 [0,1,0,0,0,0|2,0,0]=3 158 B8R1.4 [13CH3]N1CCOC(C1)O 269982a_100000688207_200025704644 [0,1,0,0,0,0|2,0,0]=3 159 B8R1.5 CC1CCCCN1C 2230a_100000211376_200000210301 [0,1,0,0,0,0|2,0,0]=3 160 B8R1.5 CC1CCCCN1C 269982a_100000211376_200000210301 [0,1,0,0,0,0|2,0,0]=3 161 B8R1.5 CC1CCCCN1C 34a_100000211376_200000210301 [0,1,0,0,0,0|2,0,0]=3 162 B8R1.5 CC1CCCCN1[13CH3] 2230a_100000211376_200025704644 [0,1,0,0,0,0|2,0,0]=3 163 B8R1.5 CC1CCCCN1[13CH3] 269982a_100000211376_200025704644 [0,1,0,0,0,0|2,0,0]=3 164 B8R1.5 CC1CCCCN1[13CH3] 34a_100000211376_200025704644 [0,1,0,0,0,0|2,0,0]=3 165 B8R1.5 C[C@H]1COCCN1C 2230a_100009815349_200000210301 [0,1,0,0,0,0|3,0,0]=4 166 B8R1.5 C[C@H]1COCCN1C 269982a_100009815349_200000210301 [0,1,0,0,0,0|3,0,0]=4 167 B8R1.5 C[C@H]1COCCN1C 34a_100009815349_200000210301 [0,1,0,0,0,0|3,0,0]=4 168 B8R1.5 C[C@H]1COCCN1[13CH3] 2230a_100009815349_200025704644 [0,1,0,0,0,0|3,0,0]=4 169 B8R1.5 C[C@H]1COCCN1[13CH3] 269982a_100009815349_200025704644 [0,1,0,0,0,0|3,0,0]=4 170 B8R1.5 C[C@H]1COCCN1[13CH3] 34a_100009815349_200025704644 [0,1,0,0,0,0|3,0,0]=4 171 B6R0.1 C=CC(O)CNC 2230a_106832991635_100000730141 [0,0,1,0,0,0|1,0,2]=4 172 B6R0.1 C=CC(O)CNC 34a_100102657272_100000730141 [0,0,1,0,0,0|1,0,2]=4 173 B6R0.1 C=CC(O)CNC 7a_106832991635_100000730141 [0,0,1,0,0,0|1,0,2]=4 174 B6R0.1 C=CC(O)COC 34a_100138415774_100000730141 [0,0,1,0,0,0|1,0,2]=4 175 B6R0.1 C=CC(O)CSC 62a_100000730141_200000210301 [0,0,1,0,0,0|1,0,2]=4 176 B6R0.1 C=CC(O)CSC 62a_200000210301_100000730141 [0,0,1,0,0,0|1,0,2]=4 177 B6R0.1 C=CC(O)CS[13CH3] 62a_100000730141_200025704644 [0,0,1,0,0,0|1,0,2]=4 178 B6R0.1 C=CC(O)CS[13CH3] 62a_200025704644_100000730141 [0,0,1,0,0,0|1,0,2]=4 179 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [0,0,1,0,0,0|3,0,0]=4 180 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [0,0,1,0,0,0|3,0,0]=4 181 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [0,0,1,0,0,0|3,0,0]=4 182 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [0,0,1,0,0,0|3,0,0]=4 183 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [0,0,1,0,0,0|3,0,0]=4 184 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [0,0,1,0,0,0|1,0,2]=4 185 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,0,1,0,0,0|1,0,2]=4 186 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,0,1,0,0,0|1,0,2]=4 187 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [0,0,1,0,0,0|1,0,2]=4 188 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,0,1,0,0,0|1,0,2]=4 189 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,0,1,0,0,0|1,0,2]=4 190 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,0,1,0,0,0|1,0,2]=4 191 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [0,0,1,0,0,0|1,0,2]=4 192 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [0,0,1,0,0,0|1,0,2]=4 193 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [0,0,1,0,0,0|1,0,2]=4 194 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [0,0,1,0,0,0|1,0,2]=4 195 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [0,0,1,0,0,0|1,0,2]=4 196 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [0,0,1,0,0,0|2,0,0]=3 197 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [0,0,1,0,0,0|2,0,0]=3 198 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [0,0,1,0,0,0|2,0,0]=3 199 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [0,0,1,0,0,0|2,0,0]=3 200 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [0,0,1,0,0,0|2,0,0]=3 201 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [0,0,1,0,0,0|2,0,0]=3 202 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [0,0,1,0,0,0|2,0,0]=3 203 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [0,0,1,0,0,0|2,0,0]=3 204 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [0,0,1,0,0,0|2,0,0]=3 205 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [0,0,1,0,0,0|2,0,0]=3 206 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [0,0,1,0,0,0|2,0,0]=3 207 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [0,0,1,0,0,0|3,0,0]=4 208 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [0,0,1,0,0,0|3,0,0]=4 209 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [0,0,1,0,0,0|3,0,0]=4 210 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [0,0,1,0,0,0|1,0,0]=2 211 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [0,0,1,0,0,0|1,0,0]=2 212 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [0,0,1,0,0,0|1,0,0]=2 213 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [0,0,1,0,0,0|1,0,0]=2 214 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [0,0,1,0,0,0|1,0,0]=2 215 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [0,0,1,0,0,0|1,0,0]=2 216 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [0,0,1,0,0,0|1,0,0]=2 217 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [0,0,1,0,0,0|1,0,0]=2 218 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [0,0,1,0,0,0|1,0,0]=2 219 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [0,0,1,0,0,0|1,0,0]=2 220 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,0,1,0,0,0|0,0,2]=3 221 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,0,1,0,0,0|0,0,2]=3 222 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,0,1,0,0,0|1,0,2]=4 223 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,0,1,0,0,0|1,0,2]=4 224 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,0,1,0,0,0|1,0,2]=4 225 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,0,1,0,0,0|1,0,2]=4 226 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,0,1,0,0,0|1,0,2]=4 227 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,0,1,0,0,0|1,0,2]=4 228 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [0,0,1,0,0,0|2,0,0]=3 229 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [0,0,1,0,0,0|2,0,0]=3 230 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [0,0,1,0,0,0|2,0,0]=3 231 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [0,0,1,0,0,0|2,0,0]=3 232 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [0,0,1,0,0,0|2,0,0]=3 233 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [0,0,1,0,0,0|2,0,0]=3 234 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [0,0,1,0,0,0|2,0,0]=3 235 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [0,0,1,0,0,0|2,0,0]=3 236 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [0,0,1,0,0,0|2,0,0]=3 237 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [0,0,1,0,0,0|2,0,0]=3 238 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [0,0,1,0,0,0|2,0,0]=3 239 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [0,0,1,0,0,0|2,0,0]=3 240 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [0,0,1,0,0,0|2,0,0]=3 241 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [0,0,1,0,0,0|2,0,0]=3 242 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [0,0,1,0,0,0|2,0,0]=3 243 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [0,0,1,0,0,0|2,0,0]=3 244 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [0,0,1,0,0,0|2,0,0]=3 245 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [0,0,1,0,0,0|2,0,0]=3 246 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [0,0,1,0,0,0|2,0,0]=3 247 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [0,0,1,0,0,0|2,0,0]=3 248 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [0,0,1,0,0,0|2,0,0]=3 249 B6R0.1 CCCN(C)CF 269982a_100000747261_100015361967 [0,0,1,0,0,0|3,0,0]=4 250 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [0,0,1,0,0,0|2,0,0]=3 251 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [0,0,1,0,0,0|2,0,0]=3 252 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [0,0,1,0,0,0|3,0,0]=4 253 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [0,0,1,0,0,0|3,0,0]=4 254 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [0,0,1,0,0,0|3,0,0]=4 255 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [0,0,1,0,0,0|3,0,0]=4 256 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [0,0,1,0,0,0|3,0,0]=4 257 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [0,0,1,0,0,0|3,0,0]=4 258 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [0,0,1,0,0,0|3,0,0]=4 259 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [0,0,1,0,0,0|3,0,0]=4 260 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [0,0,1,0,0,0|3,0,0]=4 261 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [0,0,1,0,0,0|3,0,0]=4 262 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [0,0,1,0,0,0|3,0,0]=4 263 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [0,0,1,0,0,0|3,0,0]=4 264 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [0,0,1,0,0,0|3,0,0]=4 265 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [0,0,1,0,0,0|3,0,0]=4 266 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,0,1,0,0,0|1,0,2]=4 267 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,0,1,0,0,0|1,0,2]=4 268 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,0,1,0,0,0|1,0,2]=4 269 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,0,1,0,0,0|2,0,0]=3 270 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,0,1,0,0,0|2,0,0]=3 271 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [0,0,1,0,0,0|3,0,0]=4 272 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [0,0,1,0,0,0|3,0,0]=4 273 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,0,1,0,0,0|2,0,0]=3 274 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,0,1,0,0,0|2,0,0]=3 275 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [0,0,1,0,0,0|3,0,0]=4 276 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [0,0,1,0,0,0|3,0,0]=4 277 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,0,1,0,0,0|3,0,0]=4 278 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [0,0,1,0,0,0|3,0,0]=4 279 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,0,1,0,0,0|2,0,0]=3 280 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,0,1,0,0,0|2,0,0]=3 281 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [0,0,1,0,0,0|3,0,0]=4 282 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [0,0,1,0,0,0|3,0,0]=4 283 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [0,0,1,0,0,0|3,0,0]=4 284 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [0,0,1,0,0,0|3,0,0]=4 285 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [0,0,1,0,0,0|3,0,0]=4 286 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [0,0,1,0,0,0|2,0,0]=3 287 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [0,0,1,0,0,0|2,0,0]=3 288 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [0,0,1,0,0,0|2,0,0]=3 289 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [0,0,1,0,0,0|2,0,0]=3 290 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [0,0,1,0,0,0|2,0,0]=3 291 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [0,0,1,0,0,0|2,0,0]=3 292 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [0,0,1,0,0,0|2,0,0]=3 293 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [0,0,1,0,0,0|2,0,0]=3 294 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [0,0,1,0,0,0|2,0,0]=3 295 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [0,0,1,0,0,0|2,0,0]=3 296 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [0,0,1,0,0,0|3,0,0]=4 297 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [0,0,1,0,0,0|3,0,0]=4 298 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [0,0,1,0,0,0|3,0,0]=4 299 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [0,0,1,0,0,0|3,0,0]=4 300 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [0,0,1,0,0,0|3,0,0]=4 301 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [0,0,1,0,0,0|3,0,0]=4 302 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [0,0,1,0,0,0|3,0,0]=4 303 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [0,0,1,0,0,0|3,0,0]=4 304 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [0,0,1,0,0,0|3,0,0]=4 305 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [0,0,1,0,0,0|2,0,0]=3 306 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [0,0,1,0,0,0|2,0,0]=3 307 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [0,0,1,0,0,0|2,0,0]=3 308 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [0,0,1,0,0,0|3,0,0]=4 309 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [0,0,1,0,0,0|3,0,0]=4 310 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [0,0,1,0,0,0|3,0,0]=4 311 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [0,0,1,0,0,0|3,0,0]=4 312 B6R0.1 CNC[C@@H](F)CO 34a_100015665980_200000210301 [0,0,1,0,0,0|3,0,0]=4 313 B6R0.1 CNC[C@@H](O)CF 2230a_106832991635_100015614560 [0,0,1,0,0,0|2,0,0]=3 314 B6R0.1 CNC[C@@H](O)CF 34a_100102657272_100015614560 [0,0,1,0,0,0|2,0,0]=3 315 B6R0.1 CNC[C@@H](O)CF 7a_106832991635_100015614560 [0,0,1,0,0,0|2,0,0]=3 316 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [0,0,1,0,0,0|2,0,0]=3 317 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [0,0,1,0,0,0|2,0,0]=3 318 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [0,0,1,0,0,0|2,0,0]=3 319 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [0,0,1,0,0,0|2,0,0]=3 320 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [0,0,1,0,0,0|3,0,0]=4 321 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [0,0,1,0,0,0|3,0,0]=4 322 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [0,0,1,0,0,0|3,0,0]=4 323 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [0,0,1,0,0,0|3,0,0]=4 324 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [0,0,1,0,0,0|3,0,0]=4 325 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [0,0,1,0,0,0|3,0,0]=4 326 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [0,0,1,0,0,0|3,0,0]=4 327 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [0,0,1,0,0,0|3,0,0]=4 328 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [0,0,1,0,0,0|3,0,0]=4 329 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [0,0,1,0,0,0|3,0,0]=4 330 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [0,0,1,0,0,0|3,0,0]=4 331 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [0,0,1,0,0,0|3,0,0]=4 332 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [0,0,1,0,0,0|3,0,0]=4 333 B6R0.1 COCC(Cl)CCl 34a_100000033668_200000210301 [0,0,1,0,0,0|3,0,0]=4 334 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [0,0,1,0,0,0|2,0,0]=3 335 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [0,0,1,0,0,0|3,0,0]=4 336 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [0,0,1,0,0,0|3,0,0]=4 337 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [0,0,1,0,0,0|3,0,0]=4 338 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [0,0,1,0,0,0|3,0,0]=4 339 B6R0.1 COC[C@@H](O)CF 34a_100138415774_100015614560 [0,0,1,0,0,0|2,0,0]=3 340 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [0,0,1,0,0,0|2,0,0]=3 341 B6R0.1 COC[C@H](F)CN 34a_100015665980_200000210301 [0,0,1,0,0,0|3,0,0]=4 342 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [0,0,1,0,0,0|3,0,0]=4 343 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [0,0,1,0,0,0|3,0,0]=4 344 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [0,0,1,0,0,0|3,0,0]=4 345 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [0,0,1,0,0,0|2,0,0]=3 346 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [0,0,1,0,0,0|2,0,0]=3 347 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [0,0,1,0,0,0|3,0,0]=4 348 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [0,0,1,0,0,0|3,0,0]=4 349 B6R0.1 CSC[C@@H](O)CF 62a_100015614560_200000210301 [0,0,1,0,0,0|2,0,0]=3 350 B6R0.1 CSC[C@@H](O)CF 62a_200000210301_100015614560 [0,0,1,0,0,0|2,0,0]=3 351 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [0,0,1,0,0,0|2,0,0]=3 352 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [0,0,1,0,0,0|2,0,0]=3 353 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [0,0,1,0,0,0|3,0,0]=4 354 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [0,0,1,0,0,0|3,0,0]=4 355 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [0,0,1,0,0,0|3,0,0]=4 356 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [0,0,1,0,0,0|3,0,0]=4 357 B6R0.1 [13CH3]NC[C@@H](F)CO 34a_100015665980_200025704644 [0,0,1,0,0,0|3,0,0]=4 358 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [0,0,1,0,0,0|2,0,0]=3 359 B6R0.1 [13CH3]OCC(Cl)CCl 34a_100000033668_200025704644 [0,0,1,0,0,0|3,0,0]=4 360 B6R0.1 [13CH3]OC[C@H](F)CN 34a_100015665980_200025704644 [0,0,1,0,0,0|3,0,0]=4 361 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [0,0,1,0,0,0|2,0,0]=3 362 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [0,0,1,0,0,0|2,0,0]=3 363 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_100015614560_200025704644 [0,0,1,0,0,0|2,0,0]=3 364 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_200025704644_100015614560 [0,0,1,0,0,0|2,0,0]=3 365 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [0,0,1,0,0,0|2,0,0]=3 366 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [0,0,1,0,0,0|2,0,0]=3 367 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [0,0,1,0,0,0|2,0,1]=4 368 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [0,0,1,0,0,0|2,0,1]=4 369 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [0,0,1,0,0,0|2,0,1]=4 370 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [0,0,1,0,0,0|2,0,1]=4 371 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [0,0,1,0,0,0|2,0,1]=4 372 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [0,0,1,0,0,0|2,0,1]=4 373 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [0,0,1,0,0,0|2,0,1]=4 374 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [0,0,1,0,0,0|2,0,1]=4 375 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [0,0,1,0,0,0|2,0,1]=4 376 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [0,0,1,0,0,0|2,0,1]=4 377 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [0,0,1,0,0,0|2,0,1]=4 378 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [0,0,1,0,0,0|2,0,1]=4 379 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [0,0,1,0,0,0|2,0,1]=4 380 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [0,0,1,0,0,0|2,0,1]=4 381 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [0,0,1,0,0,0|2,0,1]=4 382 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [0,0,1,0,0,0|1,0,2]=4 383 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [0,0,1,0,0,0|1,0,2]=4 384 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [0,0,1,0,0,0|1,0,2]=4 385 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [0,0,1,0,0,0|1,0,2]=4 386 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [0,0,1,0,0,0|1,0,2]=4 387 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [0,0,1,0,0,0|1,0,2]=4 388 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [0,0,1,0,0,0|2,0,0]=3 389 B6R0.4 CC(Br)COCF 34a_100012180447_100015361967 [0,0,1,0,0,0|3,0,0]=4 390 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [0,0,1,0,0,0|2,0,0]=3 391 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [0,0,1,0,0,0|2,0,0]=3 392 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [0,0,1,0,0,0|2,0,0]=3 393 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [0,0,1,0,0,0|2,0,0]=3 394 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [0,0,1,0,0,0|3,0,0]=4 395 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [0,0,1,0,0,0|3,0,0]=4 396 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [0,0,1,0,0,0|3,0,0]=4 397 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [0,0,1,0,0,0|3,0,0]=4 398 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [0,0,1,0,0,0|3,0,0]=4 399 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [0,0,1,0,0,0|3,0,0]=4 400 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [0,0,1,0,0,0|3,0,0]=4 401 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [0,0,1,0,0,0|3,0,0]=4 402 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [0,0,1,0,0,0|3,0,0]=4 403 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [0,0,1,0,0,0|3,0,0]=4 404 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [0,0,1,0,0,0|3,0,0]=4 405 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [0,0,1,0,0,0|3,0,0]=4 406 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [0,0,1,0,0,0|3,0,0]=4 407 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [0,0,1,0,0,0|3,0,0]=4 408 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [0,0,1,0,0,0|3,0,0]=4 409 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [0,0,1,0,0,0|3,0,0]=4 410 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [0,0,1,0,0,0|3,0,0]=4 411 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [0,0,1,0,0,0|3,0,0]=4 412 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [0,0,1,0,0,0|3,0,0]=4 413 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [0,0,1,0,0,0|3,0,0]=4 414 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [0,0,1,0,0,0|3,0,0]=4 415 B6R0.4 CC(F)COCF 34a_100015925927_100015361967 [0,0,1,0,0,0|3,0,0]=4 416 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [0,0,1,0,0,0|1,0,0]=2 417 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [0,0,1,0,0,0|1,0,0]=2 418 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [0,0,1,0,0,0|1,0,0]=2 419 B6R0.4 CC(O)CNCF 34a_100000210904_100015361967 [0,0,1,0,0,0|2,0,0]=3 420 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [0,0,1,0,0,0|2,0,0]=3 421 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [0,0,1,0,0,0|2,0,0]=3 422 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [0,0,1,0,0,0|0,0,2]=3 423 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [0,0,1,0,0,0|0,0,2]=3 424 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [0,0,1,0,0,0|0,0,2]=3 425 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [0,0,1,0,0,0|2,0,0]=3 426 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [0,0,1,0,0,0|2,0,0]=3 427 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [0,0,1,0,0,0|2,0,0]=3 428 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [0,0,1,0,0,0|2,0,0]=3 429 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [0,0,1,0,0,0|2,0,0]=3 430 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [0,0,1,0,0,0|2,0,0]=3 431 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [0,0,1,0,0,0|1,0,2]=4 432 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [0,0,1,0,0,0|1,0,2]=4 433 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [0,0,1,0,0,0|1,0,2]=4 434 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [0,0,1,0,0,0|1,0,2]=4 435 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [0,0,1,0,0,0|2,0,0]=3 436 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [0,0,1,0,0,0|2,0,0]=3 437 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [0,0,1,0,0,0|2,0,0]=3 438 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [0,0,1,0,0,0|2,0,0]=3 439 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [0,0,1,0,0,0|2,0,0]=3 440 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [0,0,1,0,0,0|2,0,0]=3 441 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [0,0,1,0,0,0|2,0,1]=4 442 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [0,0,1,0,0,0|2,0,0]=3 443 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [0,0,1,0,0,0|2,0,0]=3 444 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [0,0,1,0,0,0|2,0,0]=3 445 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [0,0,1,0,0,0|2,0,0]=3 446 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [0,0,1,0,0,0|1,0,0]=2 447 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [0,0,1,0,0,0|1,0,0]=2 448 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [0,0,1,0,0,0|1,0,0]=2 449 B6R0.4 CCNCC(F)F 2230a_100015525214_100011934356 [0,0,1,0,0,0|3,0,0]=4 450 B6R0.4 CCNCC(F)F 34a_100000765723_100000210202 [0,0,1,0,0,0|3,0,0]=4 451 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [0,0,1,0,0,0|1,0,0]=2 452 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [0,0,1,0,0,0|1,0,2]=4 453 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [0,0,1,0,0,0|1,0,2]=4 454 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [0,0,1,0,0,0|1,0,2]=4 455 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [0,0,1,0,0,0|2,0,0]=3 456 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [0,0,1,0,0,0|2,0,0]=3 457 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [0,0,1,0,0,0|2,0,0]=3 458 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [0,0,1,0,0,0|2,0,0]=3 459 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [0,0,1,0,0,0|1,0,0]=2 460 B6R0.4 CCOCC(F)F 34a_100000743014_100000210202 [0,0,1,0,0,0|3,0,0]=4 461 B6R0.4 CCOCC(F)F 34a_100121572206_100011934356 [0,0,1,0,0,0|3,0,0]=4 462 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [0,0,1,0,0,0|3,0,0]=4 463 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [0,0,1,0,0,0|2,0,0]=3 464 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [0,0,1,0,0,0|2,0,0]=3 465 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [0,0,1,0,0,0|1,0,0]=2 466 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [0,0,1,0,0,0|1,0,2]=4 467 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [0,0,1,0,0,0|1,0,2]=4 468 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [0,0,1,0,0,0|2,0,0]=3 469 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [0,0,1,0,0,0|2,0,0]=3 470 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [0,0,1,0,0,0|1,0,0]=2 471 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [0,0,1,0,0,0|1,0,0]=2 472 B6R0.4 CCSCC(F)F 62a_100000210202_100011934356 [0,0,1,0,0,0|3,0,0]=4 473 B6R0.4 CCSCC(F)F 62a_100011934356_100000210202 [0,0,1,0,0,0|3,0,0]=4 474 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [0,0,1,0,0,0|1,0,0]=2 475 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [0,0,1,0,0,0|1,0,0]=2 476 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [0,0,1,0,0,0|3,0,0]=4 477 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [0,0,1,0,0,0|3,0,0]=4 478 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [0,0,1,0,0,0|3,0,0]=4 479 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [0,0,1,0,0,0|3,0,0]=4 480 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [0,0,1,0,0,0|3,0,0]=4 481 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [0,0,1,0,0,0|3,0,0]=4 482 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [0,0,1,0,0,0|3,0,0]=4 483 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [0,0,1,0,0,0|3,0,0]=4 484 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [0,0,1,0,0,0|3,0,0]=4 485 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [0,0,1,0,0,0|1,0,2]=4 486 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [0,0,1,0,0,0|2,0,0]=3 487 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [0,0,1,0,0,0|2,0,0]=3 488 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [0,0,1,0,0,0|2,0,0]=3 489 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [0,0,1,0,0,0|2,0,0]=3 490 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [0,0,1,0,0,0|1,0,0]=2 491 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [0,0,1,0,0,0|1,0,0]=2 492 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [0,0,1,0,0,0|1,0,0]=2 493 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [0,0,1,0,0,0|1,0,0]=2 494 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [0,0,1,0,0,0|3,0,0]=4 495 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [0,0,1,0,0,0|3,0,0]=4 496 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [0,0,1,0,0,0|3,0,0]=4 497 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [0,0,1,0,0,0|1,0,2]=4 498 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [0,0,1,0,0,0|1,0,2]=4 499 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [0,0,1,0,0,0|1,0,2]=4 500 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [0,0,1,0,0,0|1,0,2]=4 501 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [0,0,1,0,0,0|1,0,2]=4 502 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [0,0,1,0,0,0|2,0,0]=3 503 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [0,0,1,0,0,0|2,0,0]=3 504 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [0,0,1,0,0,0|2,0,0]=3 505 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [0,0,1,0,0,0|2,0,0]=3 506 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [0,0,1,0,0,0|1,0,0]=2 507 B6R0.4 COCCC(F)F 34a_100103093639_200000210301 [0,0,1,0,0,0|3,0,0]=4 508 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [0,0,1,0,0,0|3,0,0]=4 509 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [0,0,1,0,0,0|3,0,0]=4 510 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [0,0,1,0,0,0|3,0,0]=4 511 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [0,0,1,0,0,0|3,0,0]=4 512 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [0,0,1,0,0,0|3,0,0]=4 513 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [0,0,1,0,0,0|3,0,0]=4 514 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [0,0,1,0,0,0|2,0,0]=3 515 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [0,0,1,0,0,0|3,0,0]=4 516 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [0,0,1,0,0,0|3,0,0]=4 517 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [0,0,1,0,0,0|3,0,0]=4 518 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [0,0,1,0,0,0|3,0,0]=4 519 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [0,0,1,0,0,0|1,0,2]=4 520 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [0,0,1,0,0,0|1,0,2]=4 521 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [0,0,1,0,0,0|1,0,2]=4 522 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [0,0,1,0,0,0|1,0,2]=4 523 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [0,0,1,0,0,0|1,0,2]=4 524 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [0,0,1,0,0,0|2,0,0]=3 525 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [0,0,1,0,0,0|2,0,0]=3 526 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [0,0,1,0,0,0|1,0,0]=2 527 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [0,0,1,0,0,0|1,0,0]=2 528 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [0,0,1,0,0,0|3,0,0]=4 529 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [0,0,1,0,0,0|3,0,0]=4 530 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [0,0,1,0,0,0|3,0,0]=4 531 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [0,0,1,0,0,0|3,0,0]=4 532 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [0,0,1,0,0,0|3,0,0]=4 533 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [0,0,1,0,0,0|3,0,0]=4 534 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [0,0,1,0,0,0|3,0,0]=4 535 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [0,0,1,0,0,0|3,0,0]=4 536 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [0,0,1,0,0,0|3,0,0]=4 537 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [0,0,1,0,0,0|3,0,0]=4 538 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [0,0,1,0,0,0|3,0,0]=4 539 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [0,0,1,0,0,0|3,0,0]=4 540 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [0,0,1,0,0,0|3,0,0]=4 541 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [0,0,1,0,0,0|3,0,0]=4 542 B6R0.4 C[C@@H](Cl)COCF 34a_100016084084_100015361967 [0,0,1,0,0,0|3,0,0]=4 543 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [0,0,1,0,0,0|2,0,0]=3 544 B6R0.4 C[C@@H](N)COCF 34a_100000737577_100015361967 [0,0,1,0,0,0|3,0,0]=4 545 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [0,0,1,0,0,0|2,0,0]=3 546 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [0,0,1,0,0,0|2,0,0]=3 547 B6R0.4 [13CH3]OCCC(F)F 34a_100103093639_200025704644 [0,0,1,0,0,0|3,0,0]=4 548 B6R0.6 C#CCCCNC 2230a_106832991635_100000731252 [0,0,1,0,0,0|2,0,1]=4 549 B6R0.6 C#CCCCNC 34a_100000718082_200000210301 [0,0,1,0,0,0|2,0,1]=4 550 B6R0.6 C#CCCCNC 34a_100102657272_100000695029 [0,0,1,0,0,0|2,0,1]=4 551 B6R0.6 C#CCCCNC 7a_106832991635_100011215417 [0,0,1,0,0,0|2,0,1]=4 552 B6R0.6 C#CCCCN[13CH3] 34a_100000718082_200025704644 [0,0,1,0,0,0|2,0,1]=4 553 B6R0.6 C#CCCCOC 34a_100000215630_200000210301 [0,0,1,0,0,0|2,0,1]=4 554 B6R0.6 C#CCCCOC 34a_100138415774_100000695029 [0,0,1,0,0,0|2,0,1]=4 555 B6R0.6 C#CCCCOC 7a_100000215630_200000210301 [0,0,1,0,0,0|2,0,1]=4 556 B6R0.6 C#CCCCO[13CH3] 34a_100000215630_200025704644 [0,0,1,0,0,0|2,0,1]=4 557 B6R0.6 C#CCCCO[13CH3] 7a_100000215630_200025704644 [0,0,1,0,0,0|2,0,1]=4 558 B6R0.6 C#CCCCSC 62a_100011215417_200000210301 [0,0,1,0,0,0|2,0,1]=4 559 B6R0.6 C#CCCCSC 62a_200000210301_100011215417 [0,0,1,0,0,0|2,0,1]=4 560 B6R0.6 C#CCCCS[13CH3] 62a_100011215417_200025704644 [0,0,1,0,0,0|2,0,1]=4 561 B6R0.6 C#CCCCS[13CH3] 62a_200025704644_100011215417 [0,0,1,0,0,0|2,0,1]=4 562 B6R0.6 C#CCCNCC 2230a_100015525214_100000688953 [0,0,1,0,0,0|2,0,1]=4 563 B6R0.6 C#CCCNCC 34a_100000755551_100000210202 [0,0,1,0,0,0|2,0,1]=4 564 B6R0.6 C#CCCOCC 34a_100011215631_100000210202 [0,0,1,0,0,0|2,0,1]=4 565 B6R0.6 C#CCCOCC 34a_100121572206_100000688953 [0,0,1,0,0,0|2,0,1]=4 566 B6R0.6 C#CCCSCC 62a_100000210202_100000688953 [0,0,1,0,0,0|2,0,1]=4 567 B6R0.6 C#CCCSCC 62a_100000688953_100000210202 [0,0,1,0,0,0|2,0,1]=4 568 B6R0.6 C#CCNCCC 34a_100000212058_100000210303 [0,0,1,0,0,0|2,0,1]=4 569 B6R0.6 C#CCNCCO 2230a_100016997473_100000038162 [0,0,1,0,0,0|1,0,2]=4 570 B6R0.6 C#CCNCCO 34a_100000212058_100000211926 [0,0,1,0,0,0|1,0,2]=4 571 B6R0.6 C#CCNCCO 34a_100016990907_100000184674 [0,0,1,0,0,0|1,0,2]=4 572 B6R0.6 C#CCOCCC 34a_100000210247_100000210303 [0,0,1,0,0,0|2,0,1]=4 573 B6R0.6 C#CCOCCC 34a_100000210258_100000184674 [0,0,1,0,0,0|2,0,1]=4 574 B6R0.6 C#CCOCCO 34a_100000210247_100000211926 [0,0,1,0,0,0|1,0,2]=4 575 B6R0.6 C#CCSCCC 62a_100000038162_100000210303 [0,0,1,0,0,0|2,0,1]=4 576 B6R0.6 C#CCSCCO 62a_100000038162_100000211926 [0,0,1,0,0,0|1,0,2]=4 577 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [0,0,1,0,0,0|2,0,1]=4 578 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [0,0,1,0,0,0|2,0,1]=4 579 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [0,0,1,0,0,0|2,0,1]=4 580 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [0,0,1,0,0,0|2,0,1]=4 581 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [0,0,1,0,0,0|2,0,1]=4 582 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [0,0,1,0,0,0|2,0,1]=4 583 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [0,0,1,0,0,0|2,0,1]=4 584 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [0,0,1,0,0,0|2,0,1]=4 585 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [0,0,1,0,0,0|2,0,1]=4 586 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [0,0,1,0,0,0|2,0,1]=4 587 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [0,0,1,0,0,0|2,0,1]=4 588 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [0,0,1,0,0,0|2,0,1]=4 589 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [0,0,1,0,0,0|2,0,1]=4 590 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [0,0,1,0,0,0|2,0,1]=4 591 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [0,0,1,0,0,0|2,0,1]=4 592 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [0,0,1,0,0,0|2,0,1]=4 593 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [0,0,1,0,0,0|2,0,1]=4 594 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [0,0,1,0,0,0|2,0,1]=4 595 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [0,0,1,0,0,0|2,0,1]=4 596 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [0,0,1,0,0,0|2,0,1]=4 597 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [0,0,1,0,0,0|2,0,1]=4 598 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [0,0,1,0,0,0|2,0,1]=4 599 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [0,0,1,0,0,0|2,0,1]=4 600 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [0,0,1,0,0,0|1,0,2]=4 601 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [0,0,1,0,0,0|1,0,2]=4 602 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [0,0,1,0,0,0|1,0,2]=4 603 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [0,0,1,0,0,0|2,0,1]=4 604 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [0,0,1,0,0,0|2,0,1]=4 605 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [0,0,1,0,0,0|1,0,2]=4 606 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [0,0,1,0,0,0|2,0,1]=4 607 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [0,0,1,0,0,0|2,0,1]=4 608 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [0,0,1,0,0,0|1,0,2]=4 609 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [0,0,1,0,0,0|1,0,2]=4 610 B6R0.6 CC=NNCCO 4a_100000210001_200000210099 [0,0,1,0,0,0|2,0,1]=4 611 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [0,0,1,0,0,0|2,0,0]=3 612 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [0,0,1,0,0,0|2,0,0]=3 613 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [0,0,1,0,0,0|2,0,0]=3 614 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [0,0,1,0,0,0|2,0,0]=3 615 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [0,0,1,0,0,0|2,0,0]=3 616 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [0,0,1,0,0,0|2,0,0]=3 617 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [0,0,1,0,0,0|2,0,0]=3 618 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [0,0,1,0,0,0|2,0,0]=3 619 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [0,0,1,0,0,0|2,0,0]=3 620 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [0,0,1,0,0,0|2,0,0]=3 621 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [0,0,1,0,0,0|2,0,0]=3 622 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [0,0,1,0,0,0|2,0,0]=3 623 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [0,0,1,0,0,0|2,0,0]=3 624 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [0,0,1,0,0,0|2,0,0]=3 625 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [0,0,1,0,0,0|2,0,0]=3 626 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [0,0,1,0,0,0|2,0,0]=3 627 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [0,0,1,0,0,0|2,0,0]=3 628 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [0,0,1,0,0,0|2,0,0]=3 629 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [0,0,1,0,0,0|2,0,0]=3 630 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [0,0,1,0,0,0|2,0,0]=3 631 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [0,0,1,0,0,0|2,0,0]=3 632 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [0,0,1,0,0,0|2,0,0]=3 633 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [0,0,1,0,0,0|2,0,0]=3 634 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [0,0,1,0,0,0|2,0,0]=3 635 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [0,0,1,0,0,0|2,0,0]=3 636 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [0,0,1,0,0,0|2,0,0]=3 637 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [0,0,1,0,0,0|2,0,0]=3 638 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [0,0,1,0,0,0|2,0,0]=3 639 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [0,0,1,0,0,0|1,0,0]=2 640 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [0,0,1,0,0,0|1,0,0]=2 641 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [0,0,1,0,0,0|1,0,2]=4 642 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [0,0,1,0,0,0|2,0,0]=3 643 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [0,0,1,0,0,0|2,0,0]=3 644 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [0,0,1,0,0,0|2,0,0]=3 645 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [0,0,1,0,0,0|2,0,0]=3 646 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [0,0,1,0,0,0|1,0,0]=2 647 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [0,0,1,0,0,0|3,0,0]=4 648 B6R0.6 CCCSCC#N 62a_100000210303_100011215382 [0,0,1,0,0,0|2,0,1]=4 649 B6R0.6 CCCSCC#N 62a_100011215382_100000210303 [0,0,1,0,0,0|2,0,1]=4 650 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [0,0,1,0,0,0|1,0,2]=4 651 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [0,0,1,0,0,0|1,0,2]=4 652 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [0,0,1,0,0,0|2,0,0]=3 653 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [0,0,1,0,0,0|2,0,0]=3 654 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [0,0,1,0,0,0|2,0,0]=3 655 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [0,0,1,0,0,0|1,0,0]=2 656 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [0,0,1,0,0,0|1,0,0]=2 657 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [0,0,1,0,0,0|3,0,0]=4 658 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [0,0,1,0,0,0|3,0,0]=4 659 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [0,0,1,0,0,0|3,0,0]=4 660 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [0,0,1,0,0,0|3,0,0]=4 661 B6R0.6 CCNCCC#N 2230a_100015525214_100011215226 [0,0,1,0,0,0|2,0,1]=4 662 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [0,0,1,0,0,0|2,0,0]=3 663 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [0,0,1,0,0,0|2,0,0]=3 664 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [0,0,1,0,0,0|2,0,0]=3 665 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [0,0,1,0,0,0|1,0,0]=2 666 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [0,0,1,0,0,0|3,0,0]=4 667 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [0,0,1,0,0,0|3,0,0]=4 668 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [0,0,1,0,0,0|3,0,0]=4 669 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [0,0,1,0,0,0|3,0,0]=4 670 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [0,0,1,0,0,0|2,0,0]=3 671 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [0,0,1,0,0,0|2,0,0]=3 672 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [0,0,1,0,0,0|2,0,0]=3 673 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [0,0,1,0,0,0|2,0,0]=3 674 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [0,0,1,0,0,0|2,0,0]=3 675 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [0,0,1,0,0,0|1,0,0]=2 676 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [0,0,1,0,0,0|3,0,0]=4 677 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [0,0,1,0,0,0|3,0,0]=4 678 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [0,0,1,0,0,0|3,0,0]=4 679 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [0,0,1,0,0,0|3,0,0]=4 680 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [0,0,1,0,0,0|3,0,0]=4 681 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [0,0,1,0,0,0|3,0,0]=4 682 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [0,0,1,0,0,0|3,0,0]=4 683 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [0,0,1,0,0,0|3,0,0]=4 684 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [0,0,1,0,0,0|3,0,0]=4 685 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [0,0,1,0,0,0|3,0,0]=4 686 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [0,0,1,0,0,0|3,0,0]=4 687 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [0,0,1,0,0,0|3,0,0]=4 688 B6R0.6 CCOCCON 34a_100000700252_100000210202 [0,0,1,0,0,0|3,0,0]=4 689 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [0,0,1,0,0,0|3,0,0]=4 690 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [0,0,1,0,0,0|3,0,0]=4 691 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [0,0,1,0,0,0|3,0,0]=4 692 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [0,0,1,0,0,0|3,0,0]=4 693 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [0,0,1,0,0,0|3,0,0]=4 694 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [0,0,1,0,0,0|3,0,0]=4 695 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [0,0,1,0,0,0|3,0,0]=4 696 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [0,0,1,0,0,0|3,0,0]=4 697 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [0,0,1,0,0,0|3,0,0]=4 698 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [0,0,1,0,0,0|3,0,0]=4 699 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [0,0,1,0,0,0|3,0,0]=4 700 B6R0.6 CCOCSCF 62a_100000739092_100015361967 [0,0,1,0,0,0|3,0,0]=4 701 B6R0.6 CCOCSCF 62a_100015361967_100000739092 [0,0,1,0,0,0|3,0,0]=4 702 B6R0.6 CCSCCC#N 62a_100000210202_100011215226 [0,0,1,0,0,0|2,0,1]=4 703 B6R0.6 CCSCCC#N 62a_100011215226_100000210202 [0,0,1,0,0,0|2,0,1]=4 704 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [0,0,1,0,0,0|2,0,0]=3 705 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [0,0,1,0,0,0|2,0,0]=3 706 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [0,0,1,0,0,0|1,0,0]=2 707 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [0,0,1,0,0,0|1,0,0]=2 708 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [0,0,1,0,0,0|3,0,0]=4 709 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [0,0,1,0,0,0|3,0,0]=4 710 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [0,0,1,0,0,0|3,0,0]=4 711 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [0,0,1,0,0,0|3,0,0]=4 712 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [0,0,1,0,0,0|3,0,0]=4 713 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [0,0,1,0,0,0|3,0,0]=4 714 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [0,0,1,0,0,0|3,0,0]=4 715 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [0,0,1,0,0,0|3,0,0]=4 716 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [0,0,1,0,0,0|3,0,0]=4 717 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [0,0,1,0,0,0|3,0,0]=4 718 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [0,0,1,0,0,0|3,0,0]=4 719 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [0,0,1,0,0,0|3,0,0]=4 720 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [0,0,1,0,0,0|3,0,0]=4 721 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [0,0,1,0,0,0|3,0,0]=4 722 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [0,0,1,0,0,0|3,0,0]=4 723 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [0,0,1,0,0,0|3,0,0]=4 724 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [0,0,1,0,0,0|3,0,0]=4 725 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [0,0,1,0,0,0|3,0,0]=4 726 B6R0.6 CNCC#CCO 2230a_106832991635_200000047223 [0,0,1,0,0,0|1,0,2]=4 727 B6R0.6 CNCC#CCO 34a_100102657272_200000047223 [0,0,1,0,0,0|1,0,2]=4 728 B6R0.6 CNCC#CCO 7a_106832991635_200000047223 [0,0,1,0,0,0|1,0,2]=4 729 B6R0.6 CNCCCC#N 2230a_106832991635_100000687738 [0,0,1,0,0,0|2,0,1]=4 730 B6R0.6 CNCCCC#N 7a_106832991635_100000687738 [0,0,1,0,0,0|2,0,1]=4 731 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [0,0,1,0,0,0|1,0,2]=4 732 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [0,0,1,0,0,0|1,0,2]=4 733 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [0,0,1,0,0,0|2,0,0]=3 734 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [0,0,1,0,0,0|2,0,0]=3 735 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [0,0,1,0,0,0|2,0,0]=3 736 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [0,0,1,0,0,0|1,0,0]=2 737 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [0,0,1,0,0,0|1,0,0]=2 738 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [0,0,1,0,0,0|1,0,0]=2 739 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [0,0,1,0,0,0|1,0,0]=2 740 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [0,0,1,0,0,0|1,0,0]=2 741 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [0,0,1,0,0,0|3,0,0]=4 742 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [0,0,1,0,0,0|3,0,0]=4 743 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [0,0,1,0,0,0|3,0,0]=4 744 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [0,0,1,0,0,0|3,0,0]=4 745 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [0,0,1,0,0,0|3,0,0]=4 746 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [0,0,1,0,0,0|3,0,0]=4 747 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [0,0,1,0,0,0|3,0,0]=4 748 B6R0.6 COCC#CCO 34a_100138415774_200000047223 [0,0,1,0,0,0|1,0,2]=4 749 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [0,0,1,0,0,0|2,0,0]=3 750 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [0,0,1,0,0,0|2,0,0]=3 751 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [0,0,1,0,0,0|2,0,0]=3 752 B6R0.6 COCCCCF 34a_100011995726_200000210301 [0,0,1,0,0,0|2,0,0]=3 753 B6R0.6 COCCCCF 34a_100138415774_100000729493 [0,0,1,0,0,0|2,0,0]=3 754 B6R0.6 COCCCCF 7a_100011995726_200000210301 [0,0,1,0,0,0|2,0,0]=3 755 B6R0.6 COCCCCI 34a_200012148704_200000210301 [0,0,1,0,0,0|2,0,0]=3 756 B6R0.6 COCCCCN 34a_100000750430_200000210301 [0,0,1,0,0,0|2,0,0]=3 757 B6R0.6 COCCCCO 34a_100138415774_100011216708 [0,0,1,0,0,0|1,0,0]=2 758 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [0,0,1,0,0,0|3,0,0]=4 759 B6R0.6 COCCCOC 34a_100000740835_200000210301 [0,0,1,0,0,0|3,0,0]=4 760 B6R0.6 COCCCOC 34a_100138415774_100000740836 [0,0,1,0,0,0|3,0,0]=4 761 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [0,0,1,0,0,0|3,0,0]=4 762 B6R0.6 COCCCSC 34a_100000690336_200000210301 [0,0,1,0,0,0|3,0,0]=4 763 B6R0.6 COCCCSC 62a_100000709357_200000210301 [0,0,1,0,0,0|3,0,0]=4 764 B6R0.6 COCCCSC 62a_200000210301_100000709357 [0,0,1,0,0,0|3,0,0]=4 765 B6R0.6 COCCCSC 7a_100000690336_200000210301 [0,0,1,0,0,0|3,0,0]=4 766 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [0,0,1,0,0,0|3,0,0]=4 767 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [0,0,1,0,0,0|3,0,0]=4 768 B6R0.6 COCCOCF 34a_100000210237_100015361967 [0,0,1,0,0,0|3,0,0]=4 769 B6R0.6 COCCSCF 62a_100000233755_100015361967 [0,0,1,0,0,0|3,0,0]=4 770 B6R0.6 COCCSCF 62a_100015361967_100000233755 [0,0,1,0,0,0|3,0,0]=4 771 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [0,0,1,0,0,0|2,0,0]=3 772 B6R0.6 COCSCCF 62a_100000766300_100011217306 [0,0,1,0,0,0|3,0,0]=4 773 B6R0.6 COCSCCF 62a_100011217306_100000766300 [0,0,1,0,0,0|3,0,0]=4 774 B6R0.6 COCSCCO 62a_100000211926_100000766300 [0,0,1,0,0,0|2,0,0]=3 775 B6R0.6 COCSCCO 62a_100000766300_100000211926 [0,0,1,0,0,0|2,0,0]=3 776 B6R0.6 CSCC#CCO 62a_200000047223_200000210301 [0,0,1,0,0,0|1,0,2]=4 777 B6R0.6 CSCC#CCO 62a_200000210301_200000047223 [0,0,1,0,0,0|1,0,2]=4 778 B6R0.6 CSCCCC#N 62a_100000687738_200000210301 [0,0,1,0,0,0|2,0,1]=4 779 B6R0.6 CSCCCC#N 62a_200000210301_100000687738 [0,0,1,0,0,0|2,0,1]=4 780 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [0,0,1,0,0,0|1,0,2]=4 781 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [0,0,1,0,0,0|1,0,2]=4 782 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [0,0,1,0,0,0|2,0,0]=3 783 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [0,0,1,0,0,0|2,0,0]=3 784 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [0,0,1,0,0,0|1,0,0]=2 785 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [0,0,1,0,0,0|1,0,0]=2 786 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [0,0,1,0,0,0|3,0,0]=4 787 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [0,0,1,0,0,0|3,0,0]=4 788 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [0,0,1,0,0,0|3,0,0]=4 789 B6R0.6 CSCCOCF 34a_100000230434_100015361967 [0,0,1,0,0,0|3,0,0]=4 790 B6R0.6 CSCCOCF 7a_100000230434_100015361967 [0,0,1,0,0,0|3,0,0]=4 791 B6R0.6 CSCCSCF 62a_100000212216_100015361967 [0,0,1,0,0,0|3,0,0]=4 792 B6R0.6 CSCCSCF 62a_100015361967_100000751147 [0,0,1,0,0,0|3,0,0]=4 793 B6R0.6 CSCNCCF 34a_100000724931_100011218213 [0,0,1,0,0,0|3,0,0]=4 794 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [0,0,1,0,0,0|2,0,0]=3 795 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [0,0,1,0,0,0|2,0,0]=3 796 B6R0.6 CSCOCCBr 34a_100000211926_100011218213 [0,0,1,0,0,0|3,0,0]=4 797 B6R0.6 CSCOCCN 34a_100000210304_100011218213 [0,0,1,0,0,0|3,0,0]=4 798 B6R0.6 CSCSCCF 62a_100011217306_100011218213 [0,0,1,0,0,0|3,0,0]=4 799 B6R0.6 CSCSCCF 62a_100011218213_100011217306 [0,0,1,0,0,0|3,0,0]=4 800 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [0,0,1,0,0,0|2,0,0]=3 801 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [0,0,1,0,0,0|2,0,0]=3 802 B6R0.6 FCCCNCF 34a_100015189416_100015361967 [0,0,1,0,0,0|3,0,0]=4 803 B6R0.6 FCCCOCF 34a_100000759539_100015361967 [0,0,1,0,0,0|3,0,0]=4 804 B6R0.6 FCCCSCF 62a_100011934791_100015361967 [0,0,1,0,0,0|3,0,0]=4 805 B6R0.6 FCCCSCF 62a_100015361967_100011934791 [0,0,1,0,0,0|3,0,0]=4 806 B6R0.6 FCCNCCF 34a_100000724931_100011217306 [0,0,1,0,0,0|3,0,0]=4 807 B6R0.6 FCCOCCBr 34a_100000211926_100011217306 [0,0,1,0,0,0|3,0,0]=4 808 B6R0.6 FCCSCCF 62a_100011217306_100011217306 [0,0,1,0,0,0|3,0,0]=4 809 B6R0.6 FCOCCCBr 34a_100011217188_100015361967 [0,0,1,0,0,0|3,0,0]=4 810 B6R0.6 FCOCCCCl 34a_100000230001_100015361967 [0,0,1,0,0,0|3,0,0]=4 811 B6R0.6 N#CCNCCO 2230a_100016997473_100011215382 [0,0,1,0,0,0|2,0,1]=4 812 B6R0.6 N#CCSCCO 62a_100000211926_100011215382 [0,0,1,0,0,0|2,0,1]=4 813 B6R0.6 N#CCSCCO 62a_100011215382_100000211926 [0,0,1,0,0,0|2,0,1]=4 814 B6R0.6 NCCCOCF 34a_100000182051_100015361967 [0,0,1,0,0,0|3,0,0]=4 815 B6R0.6 NCCOCCF 34a_100000210304_100011217306 [0,0,1,0,0,0|3,0,0]=4 816 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [0,0,1,0,0,0|2,0,0]=3 817 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [0,0,1,0,0,0|2,0,1]=4 818 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [0,0,1,0,0,0|2,0,1]=4 819 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [0,0,1,0,0,0|2,0,1]=4 820 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [0,0,1,0,0,0|2,0,1]=4 821 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [0,0,1,0,0,0|2,0,0]=3 822 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [0,0,1,0,0,0|2,0,0]=3 823 B6R0.6 OCCNCCF 2230a_100016997473_100011217306 [0,0,1,0,0,0|2,0,0]=3 824 B6R0.6 OCCNCCF 34a_100000724931_100000211926 [0,0,1,0,0,0|2,0,0]=3 825 B6R0.6 OCCNCCF 34a_100016990907_100011217306 [0,0,1,0,0,0|2,0,0]=3 826 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [0,0,1,0,0,0|2,0,0]=3 827 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [0,0,1,0,0,0|2,0,0]=3 828 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [0,0,1,0,0,0|2,0,0]=3 829 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [0,0,1,0,0,0|2,0,0]=3 830 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [0,0,1,0,0,0|2,0,0]=3 831 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [0,0,1,0,0,0|2,0,0]=3 832 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [0,0,1,0,0,0|1,0,0]=2 833 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [0,0,1,0,0,0|1,0,0]=2 834 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [0,0,1,0,0,0|2,0,0]=3 835 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [0,0,1,0,0,0|2,0,0]=3 836 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [0,0,1,0,0,0|2,0,0]=3 837 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [0,0,1,0,0,0|2,0,0]=3 838 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [0,0,1,0,0,0|2,0,0]=3 839 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [0,0,1,0,0,0|2,0,0]=3 840 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [0,0,1,0,0,0|2,0,0]=3 841 B6R0.6 [13CH3]SCC#CCO 62a_200000047223_200025704644 [0,0,1,0,0,0|1,0,2]=4 842 B6R0.6 [13CH3]SCC#CCO 62a_200025704644_200000047223 [0,0,1,0,0,0|1,0,2]=4 843 B6R0.6 [13CH3]SCCCC#N 62a_100000687738_200025704644 [0,0,1,0,0,0|2,0,1]=4 844 B6R0.6 [13CH3]SCCCC#N 62a_200025704644_100000687738 [0,0,1,0,0,0|2,0,1]=4 845 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [0,0,1,0,0,0|1,0,2]=4 846 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [0,0,1,0,0,0|1,0,2]=4 847 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [0,0,1,0,0,0|2,0,0]=3 848 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [0,0,1,0,0,0|2,0,0]=3 849 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [0,0,1,0,0,0|1,0,0]=2 850 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [0,0,1,0,0,0|1,0,0]=2 851 B8R2.18 CN1CC2CC2C1 2230a_100000741873_200000210301 [0,0,0,1,0,0|2,0,0]=3 852 B8R2.18 CN1CC2CC2C1 269982a_100000741873_200000210301 [0,0,0,1,0,0|2,0,0]=3 853 B8R2.18 CN1CC2CC2C1 34a_100000741873_200000210301 [0,0,0,1,0,0|2,0,0]=3 854 B8R2.18 [13CH3]N1CC2CC2C1 2230a_100000741873_200025704644 [0,0,0,1,0,0|2,0,0]=3 855 B8R2.18 [13CH3]N1CC2CC2C1 269982a_100000741873_200025704644 [0,0,0,1,0,0|2,0,0]=3 856 B8R2.18 [13CH3]N1CC2CC2C1 34a_100000741873_200025704644 [0,0,0,1,0,0|2,0,0]=3 857 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [0,0,0,0,1,0|2,0,0]=3 858 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [0,0,0,0,1,0|2,0,0]=3 859 B6R1.2 CN1CCSC1 2230a_100011215254_200000210301 [0,0,0,0,1,0|3,0,0]=4 860 B6R1.2 CN1CCSC1 269982a_100011215254_200000210301 [0,0,0,0,1,0|3,0,0]=4 861 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [0,0,0,0,1,0|2,0,0]=3 862 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [0,0,0,0,1,0|2,0,0]=3 863 B6R1.2 [13CH3]N1CCSC1 2230a_100011215254_200025704644 [0,0,0,0,1,0|3,0,0]=4 864 B6R1.2 [13CH3]N1CCSC1 269982a_100011215254_200025704644 [0,0,0,0,1,0|3,0,0]=4 865 B8R1.22 CN1CCCCCC1 2230a_100000185865_200000210301 [0,0,0,0,0,1|2,0,0]=3 866 B8R1.22 CN1CCCCCC1 269982a_100000185865_200000210301 [0,0,0,0,0,1|2,0,0]=3 867 B8R1.22 CN1CCCCCC1 34a_100000185865_200000210301 [0,0,0,0,0,1|2,0,0]=3 868 B8R1.22 CN1CCCOCC1 2230a_100000685342_200000210301 [0,0,0,0,0,1|2,0,0]=3 869 B8R1.22 CN1CCCOCC1 269982a_100000685342_200000210301 [0,0,0,0,0,1|2,0,0]=3 870 B8R1.22 CN1CCCOCC1 34a_100000685342_200000210301 [0,0,0,0,0,1|2,0,0]=3 871 B8R1.22 [13CH3]N1CCCCCC1 2230a_100000185865_200025704644 [0,0,0,0,0,1|2,0,0]=3 872 B8R1.22 [13CH3]N1CCCCCC1 269982a_100000185865_200025704644 [0,0,0,0,0,1|2,0,0]=3 873 B8R1.22 [13CH3]N1CCCCCC1 34a_100000185865_200025704644 [0,0,0,0,0,1|2,0,0]=3 874 B8R1.22 [13CH3]N1CCCOCC1 2230a_100000685342_200025704644 [0,0,0,0,0,1|2,0,0]=3 875 B8R1.22 [13CH3]N1CCCOCC1 269982a_100000685342_200025704644 [0,0,0,0,0,1|2,0,0]=3 876 B8R1.22 [13CH3]N1CCCOCC1 34a_100000685342_200025704644 [0,0,0,0,0,1|2,0,0]=3 877 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [1,0,1,0,0,0|2,0,0]=4 878 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [1,0,1,0,0,0|2,0,0]=4 879 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [1,0,1,0,0,0|2,0,0]=4 880 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [1,0,1,0,0,0|2,0,0]=4 881 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [1,0,1,0,0,0|2,0,0]=4 882 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [1,0,1,0,0,0|2,0,0]=4 883 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [1,0,1,0,0,0|2,0,0]=4 884 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [1,0,1,0,0,0|1,0,0]=3 885 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [1,0,1,0,0,0|1,0,0]=3 886 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [1,0,1,0,0,0|1,0,0]=3 887 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [1,0,1,0,0,0|1,0,0]=3 888 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,1,0,0,0|0,0,2]=4 889 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,1,0,0,0|0,0,2]=4 890 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,1,0,0,0|0,0,2]=4 891 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [1,0,1,0,0,0|2,0,0]=4 892 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [1,0,1,0,0,0|2,0,0]=4 893 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [1,0,1,0,0,0|2,0,0]=4 894 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [1,0,1,0,0,0|2,0,0]=4 895 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [1,0,1,0,0,0|2,0,0]=4 896 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [1,0,1,0,0,0|2,0,0]=4 897 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [1,0,1,0,0,0|2,0,0]=4 898 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [1,0,1,0,0,0|2,0,0]=4 899 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [1,0,1,0,0,0|2,0,0]=4 900 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [1,0,1,0,0,0|2,0,0]=4 901 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [1,0,1,0,0,0|2,0,0]=4 902 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [1,0,1,0,0,0|2,0,0]=4 903 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [1,0,1,0,0,0|2,0,0]=4 904 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [1,0,1,0,0,0|2,0,0]=4 905 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [1,0,1,0,0,0|2,0,0]=4 906 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [1,0,1,0,0,0|2,0,0]=4 907 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [1,0,1,0,0,0|2,0,0]=4 908 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [1,0,1,0,0,0|2,0,0]=4 909 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [1,0,1,0,0,0|2,0,0]=4 910 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [1,0,1,0,0,0|1,0,0]=3 911 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [1,0,1,0,0,0|1,0,0]=3 912 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [1,0,1,0,0,0|1,0,0]=3 913 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [1,0,1,0,0,0|1,0,0]=3 914 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [1,0,1,0,0,0|1,0,0]=3 915 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [1,0,1,0,0,0|1,0,0]=3 916 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [1,0,1,0,0,0|1,0,0]=3 917 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [1,0,1,0,0,0|1,0,0]=3 918 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [1,0,1,0,0,0|2,0,0]=4 919 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [1,0,1,0,0,0|2,0,0]=4 920 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [1,0,1,0,0,0|2,0,0]=4 921 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [1,0,1,0,0,0|2,0,0]=4 922 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [1,0,1,0,0,0|1,0,0]=3 923 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [1,0,1,0,0,0|2,0,0]=4 924 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [1,0,1,0,0,0|2,0,0]=4 925 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [1,0,1,0,0,0|1,0,0]=3 926 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [1,0,1,0,0,0|2,0,0]=4 927 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [1,0,1,0,0,0|2,0,0]=4 928 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [1,0,1,0,0,0|1,0,0]=3 929 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [1,0,1,0,0,0|1,0,0]=3 930 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [1,0,1,0,0,0|1,0,0]=3 931 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [1,0,1,0,0,0|1,0,0]=3 932 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [1,0,1,0,0,0|2,0,0]=4 933 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [1,0,1,0,0,0|2,0,0]=4 934 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [1,0,1,0,0,0|1,0,0]=3 935 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [1,0,1,0,0,0|1,0,0]=3 936 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [1,0,1,0,0,0|1,0,0]=3 937 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [1,0,1,0,0,0|1,0,0]=3 938 B5R0.2 CCCCNC 34a_100102657272_100000210210 [1,0,1,0,0,0|1,0,0]=3 939 B5R0.2 CCCCNC 7a_106832991635_100000210211 [1,0,1,0,0,0|1,0,0]=3 940 B5R0.2 CCCCNC 7a_106832991798_200000210301 [1,0,1,0,0,0|1,0,0]=3 941 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [1,0,1,0,0,0|1,0,0]=3 942 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [1,0,1,0,0,0|1,0,0]=3 943 B5R0.2 CCCCOC 34a_100000210227_200000210301 [1,0,1,0,0,0|1,0,0]=3 944 B5R0.2 CCCCOC 34a_100138415774_100000210210 [1,0,1,0,0,0|1,0,0]=3 945 B5R0.2 CCCCOC 7a_100000210227_200000210301 [1,0,1,0,0,0|1,0,0]=3 946 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [1,0,1,0,0,0|1,0,0]=3 947 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [1,0,1,0,0,0|1,0,0]=3 948 B5R0.2 CCCCSC 62a_100000210211_200000210301 [1,0,1,0,0,0|1,0,0]=3 949 B5R0.2 CCCCSC 62a_200000210301_100000210210 [1,0,1,0,0,0|1,0,0]=3 950 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [1,0,1,0,0,0|1,0,0]=3 951 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [1,0,1,0,0,0|1,0,0]=3 952 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [1,0,1,0,0,0|1,0,0]=3 953 B5R0.2 CCCOCC 34a_100000210258_100000210202 [1,0,1,0,0,0|1,0,0]=3 954 B5R0.2 CCCOCC 34a_100121572206_100000210303 [1,0,1,0,0,0|1,0,0]=3 955 B5R0.2 CCCOCF 34a_100000210258_100015361967 [1,0,1,0,0,0|2,0,0]=4 956 B5R0.2 CCCSCC 62a_100000210202_100000210303 [1,0,1,0,0,0|1,0,0]=3 957 B5R0.2 CCCSCC 62a_100000210303_100000210202 [1,0,1,0,0,0|1,0,0]=3 958 B5R0.2 CCCSCF 62a_100000210303_100015361967 [1,0,1,0,0,0|2,0,0]=4 959 B5R0.2 CCCSCF 62a_100015361967_100000210303 [1,0,1,0,0,0|2,0,0]=4 960 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [1,0,1,0,0,0|2,0,0]=4 961 B5R0.2 CCNCCF 34a_100000724931_100000210202 [1,0,1,0,0,0|2,0,0]=4 962 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [1,0,1,0,0,0|1,0,0]=3 963 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [1,0,1,0,0,0|1,0,0]=3 964 B5R0.2 CCNCCO 34a_100016990907_100000210202 [1,0,1,0,0,0|1,0,0]=3 965 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [1,0,1,0,0,0|2,0,0]=4 966 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [1,0,1,0,0,0|2,0,0]=4 967 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [1,0,1,0,0,0|2,0,0]=4 968 B5R0.2 CCOCCF 34a_100121572206_100011217306 [1,0,1,0,0,0|2,0,0]=4 969 B5R0.2 CCOCCN 34a_100000210304_100000210202 [1,0,1,0,0,0|2,0,0]=4 970 B5R0.2 CCOCCO 34a_100121572206_100000211926 [1,0,1,0,0,0|1,0,0]=3 971 B5R0.2 CCOCSC 34a_100121572206_100011218213 [1,0,1,0,0,0|2,0,0]=4 972 B5R0.2 CCOCSC 62a_100000739092_200000210301 [1,0,1,0,0,0|2,0,0]=4 973 B5R0.2 CCOCSC 62a_200000210301_100000739092 [1,0,1,0,0,0|2,0,0]=4 974 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [1,0,1,0,0,0|2,0,0]=4 975 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [1,0,1,0,0,0|2,0,0]=4 976 B5R0.2 CCSCCF 62a_100000210202_100011217306 [1,0,1,0,0,0|2,0,0]=4 977 B5R0.2 CCSCCF 62a_100011217306_100000210202 [1,0,1,0,0,0|2,0,0]=4 978 B5R0.2 CCSCCO 62a_100000210202_100000211926 [1,0,1,0,0,0|1,0,0]=3 979 B5R0.2 CCSCCO 62a_100000211926_100000210202 [1,0,1,0,0,0|1,0,0]=3 980 B5R0.2 CCSCOC 62a_100000210202_100000766300 [1,0,1,0,0,0|2,0,0]=4 981 B5R0.2 CCSCOC 62a_100000766300_100000210202 [1,0,1,0,0,0|2,0,0]=4 982 B5R0.2 CCSCSC 62a_100000210202_100011218213 [1,0,1,0,0,0|2,0,0]=4 983 B5R0.2 CCSCSC 62a_100011218213_100000210202 [1,0,1,0,0,0|2,0,0]=4 984 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [1,0,1,0,0,0|2,0,0]=4 985 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [1,0,1,0,0,0|2,0,0]=4 986 B5R0.2 CNCCCF 34a_100015189416_200000210301 [1,0,1,0,0,0|2,0,0]=4 987 B5R0.2 CNCCCF 34a_100102657272_100011934791 [1,0,1,0,0,0|2,0,0]=4 988 B5R0.2 CNCCCF 7a_106832991635_100011934791 [1,0,1,0,0,0|2,0,0]=4 989 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [1,0,1,0,0,0|1,0,0]=3 990 B5R0.2 CNCCCO 34a_100102657272_100000230001 [1,0,1,0,0,0|1,0,0]=3 991 B5R0.2 CNCCCO 7a_106832991635_100011215043 [1,0,1,0,0,0|1,0,0]=3 992 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [1,0,1,0,0,0|2,0,0]=4 993 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [1,0,1,0,0,0|2,0,0]=4 994 B5R0.2 CNCCOC 34a_100102657272_100011201679 [1,0,1,0,0,0|2,0,0]=4 995 B5R0.2 CNCCOC 7a_106832991635_100000233755 [1,0,1,0,0,0|2,0,0]=4 996 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [1,0,1,0,0,0|2,0,0]=4 997 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [1,0,1,0,0,0|2,0,0]=4 998 B5R0.2 CNCCSC 34a_100102657272_100000212216 [1,0,1,0,0,0|2,0,0]=4 999 B5R0.2 CNCCSC 7a_106832991635_100000212216 [1,0,1,0,0,0|2,0,0]=4 1000 B5R0.2 COCCCBr 34a_100011217188_200000210301 [1,0,1,0,0,0|2,0,0]=4 1001 B5R0.2 COCCCCl 34a_100000230001_200000210301 [1,0,1,0,0,0|2,0,0]=4 1002 B5R0.2 COCCCF 34a_100000759539_200000210301 [1,0,1,0,0,0|2,0,0]=4 1003 B5R0.2 COCCCF 34a_100138415774_100011934791 [1,0,1,0,0,0|2,0,0]=4 1004 B5R0.2 COCCCN 34a_100000182051_200000210301 [1,0,1,0,0,0|2,0,0]=4 1005 B5R0.2 COCCCO 34a_100138415774_100000230001 [1,0,1,0,0,0|1,0,0]=3 1006 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [1,0,1,0,0,0|2,0,0]=4 1007 B5R0.2 COCCOC 34a_100000210237_200000210301 [1,0,1,0,0,0|2,0,0]=4 1008 B5R0.2 COCCOC 34a_100138415774_100011201679 [1,0,1,0,0,0|2,0,0]=4 1009 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [1,0,1,0,0,0|2,0,0]=4 1010 B5R0.2 COCCSC 34a_100000230434_200000210301 [1,0,1,0,0,0|2,0,0]=4 1011 B5R0.2 COCCSC 34a_100138415774_100000212216 [1,0,1,0,0,0|2,0,0]=4 1012 B5R0.2 COCCSC 62a_100000233755_200000210301 [1,0,1,0,0,0|2,0,0]=4 1013 B5R0.2 COCCSC 62a_200000210301_100000233755 [1,0,1,0,0,0|2,0,0]=4 1014 B5R0.2 COCCSC 7a_100000230434_200000210301 [1,0,1,0,0,0|2,0,0]=4 1015 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [1,0,1,0,0,0|2,0,0]=4 1016 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [1,0,1,0,0,0|2,0,0]=4 1017 B5R0.2 CSCCCF 62a_100011934791_200000210301 [1,0,1,0,0,0|2,0,0]=4 1018 B5R0.2 CSCCCF 62a_200000210301_100011934791 [1,0,1,0,0,0|2,0,0]=4 1019 B5R0.2 CSCCCO 62a_100011215043_200000210301 [1,0,1,0,0,0|1,0,0]=3 1020 B5R0.2 CSCCCO 62a_200000210301_100011215043 [1,0,1,0,0,0|1,0,0]=3 1021 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [1,0,1,0,0,0|2,0,0]=4 1022 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [1,0,1,0,0,0|2,0,0]=4 1023 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [1,0,1,0,0,0|2,0,0]=4 1024 B5R0.2 CSCCSC 62a_100000212216_200000210301 [1,0,1,0,0,0|2,0,0]=4 1025 B5R0.2 CSCCSC 62a_200000210301_100000751147 [1,0,1,0,0,0|2,0,0]=4 1026 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [1,0,1,0,0,0|2,0,0]=4 1027 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [1,0,1,0,0,0|2,0,0]=4 1028 B5R0.2 OCCNCF 34a_100016990907_100015361967 [1,0,1,0,0,0|2,0,0]=4 1029 B5R0.2 OCCSCF 62a_100000211926_100015361967 [1,0,1,0,0,0|2,0,0]=4 1030 B5R0.2 OCCSCF 62a_100015361967_100000211926 [1,0,1,0,0,0|2,0,0]=4 1031 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [1,0,1,0,0,0|2,0,0]=4 1032 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [1,0,1,0,0,0|2,0,0]=4 1033 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [1,0,1,0,0,0|2,0,0]=4 1034 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [1,0,1,0,0,0|2,0,0]=4 1035 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [1,0,1,0,0,0|2,0,0]=4 1036 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [1,0,1,0,0,0|2,0,0]=4 1037 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [1,0,1,0,0,0|2,0,0]=4 1038 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [1,0,1,0,0,0|2,0,0]=4 1039 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [1,0,1,0,0,0|1,0,0]=3 1040 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [1,0,1,0,0,0|1,0,0]=3 1041 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,0,1,0,0,0|0,0,2]=4 1042 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,0,1,0,0,0|2,0,0]=4 1043 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,0,1,0,0,0|2,0,0]=4 1044 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,0,1,0,0,0|2,0,0]=4 1045 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,0,1,0,0,0|2,0,0]=4 1046 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,0,1,0,0,0|2,0,0]=4 1047 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,0,1,0,0,0|2,0,0]=4 1048 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,0,1,0,0,0|2,0,0]=4 1049 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,0,1,0,0,0|2,0,0]=4 1050 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,0,1,0,0,0|2,0,0]=4 1051 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,0,1,0,0,0|2,0,0]=4 1052 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,0,1,0,0,0|2,0,0]=4 1053 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,0,1,0,0,0|2,0,0]=4 1054 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [1,0,1,0,0,0|2,0,0]=4 1055 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [1,0,1,0,0,0|2,0,0]=4 1056 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [1,0,1,0,0,0|2,0,0]=4 1057 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [1,0,1,0,0,0|2,0,0]=4 1058 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [1,0,1,0,0,0|2,0,0]=4 1059 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [1,0,1,0,0,0|2,0,0]=4 1060 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [1,0,1,0,0,0|2,0,0]=4 1061 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [1,0,1,0,0,0|2,0,0]=4 1062 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [0,1,1,0,0,0|2,0,0]=4 1063 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [0,1,1,0,0,0|2,0,0]=4 1064 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [0,1,1,0,0,0|2,0,0]=4 1065 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [0,1,1,0,0,0|2,0,0]=4 1066 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [0,1,1,0,0,0|2,0,0]=4 1067 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,1,1,0,0,0|0,0,2]=4 1068 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,1,1,0,0,0|0,0,2]=4 1069 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,1,1,0,0,0|0,0,2]=4 1070 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,1,1,0,0,0|0,0,2]=4 1071 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,1,1,0,0,0|1,0,1]=4 1072 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,1,1,0,0,0|1,0,1]=4 1073 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,1,1,0,0,0|1,0,1]=4 1074 B7R0.2 CCC(C)CN(C)C 2230a_100000753921_200000210301 [0,1,1,0,0,0|2,0,0]=4 1075 B7R0.2 CCC(C)CN(C)C 2230a_100102631434_100000748023 [0,1,1,0,0,0|2,0,0]=4 1076 B7R0.2 CCC(C)CN(C)C 269982a_100000753921_200000210301 [0,1,1,0,0,0|2,0,0]=4 1077 B7R0.2 CCC(C)CN(C)C 269982a_100102631434_100000748023 [0,1,1,0,0,0|2,0,0]=4 1078 B7R0.2 CCC(C)CN(C)C 270004a_100102631434_100000243153 [0,1,1,0,0,0|2,0,0]=4 1079 B7R0.2 CCC(C)CN(C)[13CH3] 2230a_100000753921_200025704644 [0,1,1,0,0,0|2,0,0]=4 1080 B7R0.2 CCC(C)CN(C)[13CH3] 269982a_100000753921_200025704644 [0,1,1,0,0,0|2,0,0]=4 1081 B7R0.2 CCC(C)NC(C)C 2230a_100000209981_100000210206 [0,1,1,0,0,0|2,0,0]=4 1082 B7R0.2 CCC(C)NC(C)C 2230a_100138425928_100000758301 [0,1,1,0,0,0|2,0,0]=4 1083 B7R0.2 CCC(C)NC(C)C 34a_100138425928_100011215416 [0,1,1,0,0,0|2,0,0]=4 1084 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [0,1,1,0,0,0|2,0,0]=4 1085 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [0,1,1,0,0,0|2,0,0]=4 1086 B7R0.2 CCC(C)SC(C)C 62a_100000210206_100000758301 [0,1,1,0,0,0|2,0,0]=4 1087 B7R0.2 CCC(C)SC(C)C 62a_100000758301_100000210206 [0,1,1,0,0,0|2,0,0]=4 1088 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,1,1,0,0,0|0,0,1]=3 1089 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,1,1,0,0,0|0,0,1]=3 1090 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,1,1,0,0,0|0,0,1]=3 1091 B7R0.2 CCC(O)CN(C)C 2230a_100102631434_100011218378 [0,1,1,0,0,0|1,0,0]=3 1092 B7R0.2 CCC(O)CN(C)C 269982a_100102631434_100011218378 [0,1,1,0,0,0|1,0,0]=3 1093 B7R0.2 CCN(C)CC(C)C 2230a_100000225621_100000210760 [0,1,1,0,0,0|2,0,0]=4 1094 B7R0.2 CCN(C)CC(C)C 2230a_100000738554_200000210301 [0,1,1,0,0,0|2,0,0]=4 1095 B7R0.2 CCN(C)CC(C)C 2230a_100000747067_100000210202 [0,1,1,0,0,0|2,0,0]=4 1096 B7R0.2 CCN(C)CC(C)C 269982a_100000225621_100000210624 [0,1,1,0,0,0|2,0,0]=4 1097 B7R0.2 CCN(C)CC(C)C 269982a_100000738554_200000210301 [0,1,1,0,0,0|2,0,0]=4 1098 B7R0.2 CCN(C)CC(C)C 269982a_100000747067_100000204670 [0,1,1,0,0,0|2,0,0]=4 1099 B7R0.2 CCN(C)CC(C)O 2230a_100000225621_100011218427 [0,1,1,0,0,0|2,0,0]=4 1100 B7R0.2 CCN(C)CC(C)O 2230a_100000227577_100000210202 [0,1,1,0,0,0|2,0,0]=4 1101 B7R0.2 CCN(C)CC(C)O 269982a_100000225621_100011218427 [0,1,1,0,0,0|2,0,0]=4 1102 B7R0.2 CCN(C)CC(C)O 269982a_100000227577_100000204670 [0,1,1,0,0,0|2,0,0]=4 1103 B7R0.2 CCN(C)C[C@@H](C)O 2230a_100000225621_100009817552 [0,1,1,0,0,0|2,0,0]=4 1104 B7R0.2 CCN(C)C[C@@H](C)O 269982a_100000225621_100009817552 [0,1,1,0,0,0|2,0,0]=4 1105 B7R0.2 CCN(C)C[C@H](C)O 2230a_100000729506_200000210301 [0,1,1,0,0,0|2,0,0]=4 1106 B7R0.2 CCN(C)C[C@H](C)O 269982a_100000729506_200000210301 [0,1,1,0,0,0|2,0,0]=4 1107 B7R0.2 CCN([13CH3])CC(C)C 2230a_100000738554_200025704644 [0,1,1,0,0,0|2,0,0]=4 1108 B7R0.2 CCN([13CH3])CC(C)C 269982a_100000738554_200025704644 [0,1,1,0,0,0|2,0,0]=4 1109 B7R0.2 CCN([13CH3])C[C@H](C)O 2230a_100000729506_200025704644 [0,1,1,0,0,0|2,0,0]=4 1110 B7R0.2 CCN([13CH3])C[C@H](C)O 269982a_100000729506_200025704644 [0,1,1,0,0,0|2,0,0]=4 1111 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,1,1,0,0,0|1,0,1]=4 1112 B7R0.2 CC[C@H](C)CN(C)C 2230a_100102631434_100009816398 [0,1,1,0,0,0|2,0,0]=4 1113 B7R0.2 CC[C@H](C)CN(C)C 269982a_100102631434_100009816398 [0,1,1,0,0,0|2,0,0]=4 1114 B7R0.2 CN(C)CC(O)CO 2230a_100011216503_200000210301 [0,1,1,0,0,0|2,0,0]=4 1115 B7R0.2 CN(C)CC(O)CO 2230a_100102631434_100011219619 [0,1,1,0,0,0|2,0,0]=4 1116 B7R0.2 CN(C)CC(O)CO 269982a_100011216503_200000210301 [0,1,1,0,0,0|2,0,0]=4 1117 B7R0.2 CN(C)C[C@@H](O)CF 2230a_100102631434_100015614560 [0,1,1,0,0,0|2,0,0]=4 1118 B7R0.2 CN(C)C[C@@H](O)CO 2230a_100102631434_100009815848 [0,1,1,0,0,0|2,0,0]=4 1119 B7R0.2 CN([13CH3])CC(O)CO 2230a_100011216503_200025704644 [0,1,1,0,0,0|2,0,0]=4 1120 B7R0.2 CN([13CH3])CC(O)CO 269982a_100011216503_200025704644 [0,1,1,0,0,0|2,0,0]=4 1121 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [0,1,1,0,0,0|2,0,0]=4 1122 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [0,1,1,0,0,0|2,0,0]=4 1123 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [0,1,1,0,0,0|2,0,0]=4 1124 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [0,1,1,0,0,0|2,0,0]=4 1125 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [0,1,1,0,0,0|2,0,0]=4 1126 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [0,1,1,0,0,0|2,0,0]=4 1127 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [0,1,1,0,0,0|2,0,0]=4 1128 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [0,1,1,0,0,0|2,0,0]=4 1129 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [0,1,1,0,0,0|2,0,0]=4 1130 B7R0.3 C=CC(O)CNCC 2230a_100015525214_100000730141 [0,1,1,0,0,0|0,0,2]=4 1131 B7R0.3 C=CC(O)COCC 34a_100121572206_100000730141 [0,1,1,0,0,0|0,0,2]=4 1132 B7R0.3 C=CC(O)CSCC 62a_100000210202_100000730141 [0,1,1,0,0,0|0,0,2]=4 1133 B7R0.3 C=CC(O)CSCC 62a_100000730141_100000210202 [0,1,1,0,0,0|0,0,2]=4 1134 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [0,1,1,0,0,0|2,0,0]=4 1135 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [0,1,1,0,0,0|2,0,0]=4 1136 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [0,1,1,0,0,0|2,0,0]=4 1137 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [0,1,1,0,0,0|2,0,0]=4 1138 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [0,1,1,0,0,0|0,0,2]=4 1139 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,1,1,0,0,0|0,0,2]=4 1140 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,1,1,0,0,0|0,0,2]=4 1141 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,1,1,0,0,0|0,0,2]=4 1142 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,1,1,0,0,0|0,0,2]=4 1143 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,1,1,0,0,0|0,0,2]=4 1144 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [0,1,1,0,0,0|1,0,0]=3 1145 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [0,1,1,0,0,0|1,0,0]=3 1146 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [0,1,1,0,0,0|1,0,0]=3 1147 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [0,1,1,0,0,0|1,0,0]=3 1148 B7R0.3 CCC(C)CSCF 62a_100000748023_100015361967 [0,1,1,0,0,0|2,0,0]=4 1149 B7R0.3 CCC(C)CSCF 62a_100015361967_100000748023 [0,1,1,0,0,0|2,0,0]=4 1150 B7R0.3 CCC(C)NCCF 2230a_100000209981_100011217306 [0,1,1,0,0,0|2,0,0]=4 1151 B7R0.3 CCC(C)NCCF 34a_100000724931_100011215416 [0,1,1,0,0,0|2,0,0]=4 1152 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [0,1,1,0,0,0|2,0,0]=4 1153 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [0,1,1,0,0,0|2,0,0]=4 1154 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [0,1,1,0,0,0|2,0,0]=4 1155 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [0,1,1,0,0,0|2,0,0]=4 1156 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [0,1,1,0,0,0|2,0,0]=4 1157 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [0,1,1,0,0,0|2,0,0]=4 1158 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [0,1,1,0,0,0|2,0,0]=4 1159 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [0,1,1,0,0,0|2,0,0]=4 1160 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [0,1,1,0,0,0|2,0,0]=4 1161 B7R0.3 CCC(C)SCCF 62a_100000758301_100011217306 [0,1,1,0,0,0|2,0,0]=4 1162 B7R0.3 CCC(C)SCCF 62a_100011217306_100000758301 [0,1,1,0,0,0|2,0,0]=4 1163 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [0,1,1,0,0,0|2,0,0]=4 1164 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [0,1,1,0,0,0|2,0,0]=4 1165 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [0,1,1,0,0,0|2,0,0]=4 1166 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [0,1,1,0,0,0|2,0,0]=4 1167 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [0,1,1,0,0,0|2,0,0]=4 1168 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [0,1,1,0,0,0|2,0,0]=4 1169 B7R0.3 CCC(O)CSCF 62a_100011218378_100015361967 [0,1,1,0,0,0|1,0,0]=3 1170 B7R0.3 CCC(O)CSCF 62a_100015361967_100011218378 [0,1,1,0,0,0|1,0,0]=3 1171 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,1,1,0,0,0|0,0,2]=4 1172 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,1,1,0,0,0|0,0,2]=4 1173 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [0,1,1,0,0,0|2,0,0]=4 1174 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [0,1,1,0,0,0|2,0,0]=4 1175 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [0,1,1,0,0,0|2,0,0]=4 1176 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [0,1,1,0,0,0|2,0,0]=4 1177 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [0,1,1,0,0,0|2,0,0]=4 1178 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [0,1,1,0,0,0|2,0,0]=4 1179 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [0,1,1,0,0,0|2,0,0]=4 1180 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [0,1,1,0,0,0|2,0,0]=4 1181 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [0,1,1,0,0,0|2,0,0]=4 1182 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [0,1,1,0,0,0|2,0,0]=4 1183 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [0,1,1,0,0,0|2,0,0]=4 1184 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [0,1,1,0,0,0|2,0,0]=4 1185 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [0,1,1,0,0,0|2,0,0]=4 1186 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [0,1,1,0,0,0|2,0,0]=4 1187 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [0,1,1,0,0,0|2,0,0]=4 1188 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [0,1,1,0,0,0|2,0,0]=4 1189 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [0,1,1,0,0,0|2,0,0]=4 1190 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [0,1,1,0,0,0|2,0,0]=4 1191 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [0,1,1,0,0,0|2,0,0]=4 1192 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [0,1,1,0,0,0|2,0,0]=4 1193 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [0,1,1,0,0,0|2,0,0]=4 1194 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [0,1,1,0,0,0|2,0,0]=4 1195 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [0,1,1,0,0,0|2,0,0]=4 1196 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,1,1,0,0,0|0,0,2]=4 1197 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,1,1,0,0,0|0,0,2]=4 1198 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,1,1,0,0,0|0,0,2]=4 1199 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,1,1,0,0,0|0,0,2]=4 1200 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [0,1,1,0,0,0|1,0,0]=3 1201 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [0,1,1,0,0,0|2,0,0]=4 1202 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [0,1,1,0,0,0|1,0,0]=3 1203 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [0,1,1,0,0,0|1,0,0]=3 1204 B7R0.3 CCCOC(C)CF 34a_100016041109_100000210303 [0,1,1,0,0,0|2,0,0]=4 1205 B7R0.3 CCCOC(C)CF 7a_100016041109_100000210303 [0,1,1,0,0,0|2,0,0]=4 1206 B7R0.3 CCCOC(C)CN 34a_100000210904_100000210303 [0,1,1,0,0,0|2,0,0]=4 1207 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [0,1,1,0,0,0|2,0,0]=4 1208 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [0,1,1,0,0,0|1,0,0]=3 1209 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [0,1,1,0,0,0|1,0,0]=3 1210 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [0,1,1,0,0,0|2,0,0]=4 1211 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [0,1,1,0,0,0|2,0,0]=4 1212 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [0,1,1,0,0,0|2,0,0]=4 1213 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [0,1,1,0,0,0|2,0,0]=4 1214 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [0,1,1,0,0,0|2,0,0]=4 1215 B7R0.3 CCN(C)CCCF 2230a_100000225621_100011934791 [0,1,1,0,0,0|2,0,0]=4 1216 B7R0.3 CCN(C)CCCF 269982a_100000225621_100011934791 [0,1,1,0,0,0|2,0,0]=4 1217 B7R0.3 CCN(C)CCCO 2230a_100000213112_100000210202 [0,1,1,0,0,0|2,0,0]=4 1218 B7R0.3 CCN(C)CCCO 2230a_100000225621_100000230001 [0,1,1,0,0,0|2,0,0]=4 1219 B7R0.3 CCN(C)CCCO 269982a_100000213112_100000204670 [0,1,1,0,0,0|2,0,0]=4 1220 B7R0.3 CCN(C)CCCO 269982a_100000225621_100011215043 [0,1,1,0,0,0|2,0,0]=4 1221 B7R0.3 CCN(C)CCOC 2230a_100000225621_100011201679 [0,1,1,0,0,0|2,0,0]=4 1222 B7R0.3 CCN(C)CCOC 2230a_100000731262_200000210301 [0,1,1,0,0,0|2,0,0]=4 1223 B7R0.3 CCN(C)CCOC 2230a_100000743101_100000210202 [0,1,1,0,0,0|2,0,0]=4 1224 B7R0.3 CCN(C)CCOC 269982a_100000225621_100000233755 [0,1,1,0,0,0|2,0,0]=4 1225 B7R0.3 CCN(C)CCOC 269982a_100000731262_200000210301 [0,1,1,0,0,0|2,0,0]=4 1226 B7R0.3 CCN(C)CCOC 269982a_100000743101_100000204670 [0,1,1,0,0,0|2,0,0]=4 1227 B7R0.3 CCN(C)CCSC 2230a_100000225621_100000751147 [0,1,1,0,0,0|2,0,0]=4 1228 B7R0.3 CCN(C)CCSC 2230a_100000686725_100000210202 [0,1,1,0,0,0|2,0,0]=4 1229 B7R0.3 CCN(C)CCSC 269982a_100000225621_100000212216 [0,1,1,0,0,0|2,0,0]=4 1230 B7R0.3 CCN(C)CCSC 269982a_100000686725_100000204670 [0,1,1,0,0,0|2,0,0]=4 1231 B7R0.3 CCN([13CH3])CCOC 2230a_100000731262_200025704644 [0,1,1,0,0,0|2,0,0]=4 1232 B7R0.3 CCN([13CH3])CCOC 269982a_100000731262_200025704644 [0,1,1,0,0,0|2,0,0]=4 1233 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [0,1,1,0,0,0|1,0,0]=3 1234 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [0,1,1,0,0,0|1,0,0]=3 1235 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [0,1,1,0,0,0|1,0,0]=3 1236 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [0,1,1,0,0,0|2,0,0]=4 1237 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [0,1,1,0,0,0|0,0,0]=2 1238 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [0,1,1,0,0,0|0,0,0]=2 1239 B7R0.3 CCNCC(O)CO 2230a_100015525214_100011219619 [0,1,1,0,0,0|1,0,0]=3 1240 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [0,1,1,0,0,0|1,0,0]=3 1241 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [0,1,1,0,0,0|2,0,0]=4 1242 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [0,1,1,0,0,0|2,0,0]=4 1243 B7R0.3 CCNC[C@@H](F)CO 34a_100015665980_100000210202 [0,1,1,0,0,0|2,0,0]=4 1244 B7R0.3 CCNC[C@@H](O)CF 2230a_100015525214_100015614560 [0,1,1,0,0,0|1,0,0]=3 1245 B7R0.3 CCNC[C@@H](O)CO 2230a_100015525214_100009815848 [0,1,1,0,0,0|1,0,0]=3 1246 B7R0.3 CCNC[C@H](O)CO 2230a_100020644852_100000210202 [0,1,1,0,0,0|1,0,0]=3 1247 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,1,1,0,0,0|0,0,2]=4 1248 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,1,1,0,0,0|0,0,2]=4 1249 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [0,1,1,0,0,0|1,0,0]=3 1250 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [0,1,1,0,0,0|2,0,0]=4 1251 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [0,1,1,0,0,0|2,0,0]=4 1252 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [0,1,1,0,0,0|2,0,0]=4 1253 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [0,1,1,0,0,0|2,0,0]=4 1254 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [0,1,1,0,0,0|2,0,0]=4 1255 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [0,1,1,0,0,0|2,0,0]=4 1256 B7R0.3 CCOCC(Cl)CCl 34a_100000033668_100000210202 [0,1,1,0,0,0|2,0,0]=4 1257 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [0,1,1,0,0,0|0,0,0]=2 1258 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [0,1,1,0,0,0|1,0,0]=3 1259 B7R0.3 CCOCN(C)CC 269982a_100000225621_100000739092 [0,1,1,0,0,0|2,0,0]=4 1260 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [0,1,1,0,0,0|1,0,0]=3 1261 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [0,1,1,0,0,0|1,0,0]=3 1262 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [0,1,1,0,0,0|2,0,0]=4 1263 B7R0.3 CCOC[C@@H](O)CF 34a_100121572206_100015614560 [0,1,1,0,0,0|1,0,0]=3 1264 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [0,1,1,0,0,0|1,0,0]=3 1265 B7R0.3 CCOC[C@H](F)CN 34a_100015665980_100000210202 [0,1,1,0,0,0|2,0,0]=4 1266 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [0,1,1,0,0,0|0,0,2]=4 1267 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [0,1,1,0,0,0|0,0,2]=4 1268 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [0,1,1,0,0,0|0,0,2]=4 1269 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [0,1,1,0,0,0|1,0,0]=3 1270 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [0,1,1,0,0,0|1,0,0]=3 1271 B7R0.3 CCSCC(C)NC 270004a_106832991635_200011216171 [0,1,1,0,0,0|2,0,0]=4 1272 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [0,1,1,0,0,0|0,0,0]=2 1273 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [0,1,1,0,0,0|0,0,0]=2 1274 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [0,1,1,0,0,0|1,0,0]=3 1275 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [0,1,1,0,0,0|1,0,0]=3 1276 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [0,1,1,0,0,0|1,0,0]=3 1277 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [0,1,1,0,0,0|1,0,0]=3 1278 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [0,1,1,0,0,0|2,0,0]=4 1279 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [0,1,1,0,0,0|2,0,0]=4 1280 B7R0.3 CCSC[C@@H](O)CF 62a_100000210202_100015614560 [0,1,1,0,0,0|1,0,0]=3 1281 B7R0.3 CCSC[C@@H](O)CF 62a_100015614560_100000210202 [0,1,1,0,0,0|1,0,0]=3 1282 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [0,1,1,0,0,0|1,0,0]=3 1283 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [0,1,1,0,0,0|1,0,0]=3 1284 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [0,1,1,0,0,0|2,0,0]=4 1285 B7R0.3 CC[C@H](C)CSCF 62a_100009816398_100015361967 [0,1,1,0,0,0|2,0,0]=4 1286 B7R0.3 CC[C@H](C)CSCF 62a_100015361967_100009816398 [0,1,1,0,0,0|2,0,0]=4 1287 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [0,1,1,0,0,0|2,0,0]=4 1288 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [0,1,1,0,0,0|2,0,0]=4 1289 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [0,1,1,0,0,0|2,0,0]=4 1290 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [0,1,1,0,0,0|2,0,0]=4 1291 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [0,1,1,0,0,0|2,0,0]=4 1292 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [0,1,1,0,0,0|2,0,0]=4 1293 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [0,1,1,0,0,0|2,0,0]=4 1294 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [0,1,1,0,0,0|2,0,0]=4 1295 B7R0.3 OCC(O)CSCF 62a_100011219619_100015361967 [0,1,1,0,0,0|2,0,0]=4 1296 B7R0.3 OCC(O)CSCF 62a_100015361967_100011219619 [0,1,1,0,0,0|2,0,0]=4 1297 B7R0.3 OC[C@H](O)CSCF 62a_100009815848_100015361967 [0,1,1,0,0,0|2,0,0]=4 1298 B7R0.3 OC[C@H](O)CSCF 62a_100015361967_100009815848 [0,1,1,0,0,0|2,0,0]=4 1299 B7R0.3 O[C@@H](CF)CSCF 62a_100015361967_100015614560 [0,1,1,0,0,0|2,0,0]=4 1300 B7R0.3 O[C@@H](CF)CSCF 62a_100015614560_100015361967 [0,1,1,0,0,0|2,0,0]=4 1301 B7R0.5 CC(C)C(O)CN[13CH3] 2230a_100000759067_200025704644 [0,1,1,0,0,0|1,0,0]=3 1302 B7R0.5 CC(C)C(O)CN[13CH3] 34a_100000759067_200025704644 [0,1,1,0,0,0|1,0,0]=3 1303 B7R0.5 CC(C)[C@@H](N)CO[13CH3] 34a_100011830312_200025704644 [0,1,1,0,0,0|2,0,0]=4 1304 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [0,1,1,0,0,0|0,0,2]=4 1305 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [0,1,1,0,0,0|0,0,2]=4 1306 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [0,1,1,0,0,0|0,0,2]=4 1307 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,1,1,0,0,0|0,0,2]=4 1308 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,1,1,0,0,0|0,0,2]=4 1309 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,1,1,0,0,0|1,0,1]=4 1310 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,1,1,0,0,0|1,0,1]=4 1311 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,1,1,0,0,0|1,0,1]=4 1312 B7R0.5 CCCC(C)N(C)C 2230a_100102631434_100000766640 [0,1,1,0,0,0|2,0,0]=4 1313 B7R0.5 CCCC(C)N(C)C 269982a_100102631434_100000766640 [0,1,1,0,0,0|2,0,0]=4 1314 B7R0.5 CCCC(C)N(C)C 270004a_100102631434_100000211909 [0,1,1,0,0,0|2,0,0]=4 1315 B7R0.5 CCCN(C)C(C)C 2230a_100000747261_100000210206 [0,1,1,0,0,0|2,0,0]=4 1316 B7R0.5 CCCN(C)C(C)C 2230a_106256033942_200000210301 [0,1,1,0,0,0|2,0,0]=4 1317 B7R0.5 CCCN(C)C(C)C 269982a_100000747261_100000210206 [0,1,1,0,0,0|2,0,0]=4 1318 B7R0.5 CCCN(C)C(C)C 269982a_106256033942_200000210301 [0,1,1,0,0,0|2,0,0]=4 1319 B7R0.5 CCCN(C)C(C)C 269982a_200000211004_100000210303 [0,1,1,0,0,0|2,0,0]=4 1320 B7R0.5 CCCN([13CH3])C(C)C 2230a_106256033942_200025704644 [0,1,1,0,0,0|2,0,0]=4 1321 B7R0.5 CCCN([13CH3])C(C)C 269982a_106256033942_200025704644 [0,1,1,0,0,0|2,0,0]=4 1322 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,1,1,0,0,0|0,0,1]=3 1323 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,1,1,0,0,0|0,0,1]=3 1324 B7R0.5 CCNC(C)C(C)C 2230a_100000211541_100000210202 [0,1,1,0,0,0|2,0,0]=4 1325 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [0,1,1,0,0,0|2,0,0]=4 1326 B7R0.5 CNCC(O)C(C)C 2230a_100000759067_200000210301 [0,1,1,0,0,0|1,0,0]=3 1327 B7R0.5 CNCC(O)C(C)C 34a_100000759067_200000210301 [0,1,1,0,0,0|1,0,0]=3 1328 B7R0.5 COC[C@H](N)C(C)C 34a_100011830312_200000210301 [0,1,1,0,0,0|2,0,0]=4 1329 B7R0.7 CC(CCN)CO[13CH3] 34a_106354213184_200025704644 [0,1,1,0,0,0|2,0,0]=4 1330 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [0,1,1,0,0,0|0,0,2]=4 1331 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [0,1,1,0,0,0|0,0,2]=4 1332 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [0,1,1,0,0,0|0,0,2]=4 1333 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [0,1,1,0,0,0|0,0,2]=4 1334 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [0,1,1,0,0,0|0,0,2]=4 1335 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [0,1,1,0,0,0|0,0,2]=4 1336 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [0,1,1,0,0,0|0,0,2]=4 1337 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [0,1,1,0,0,0|0,0,2]=4 1338 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [0,1,1,0,0,0|0,0,2]=4 1339 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [0,1,1,0,0,0|0,0,2]=4 1340 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [0,1,1,0,0,0|0,0,2]=4 1341 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [0,1,1,0,0,0|0,0,2]=4 1342 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [0,1,1,0,0,0|0,0,2]=4 1343 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [0,1,1,0,0,0|0,0,2]=4 1344 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [0,1,1,0,0,0|0,0,2]=4 1345 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [0,1,1,0,0,0|1,0,0]=3 1346 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [0,1,1,0,0,0|1,0,0]=3 1347 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [0,1,1,0,0,0|1,0,0]=3 1348 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [0,1,1,0,0,0|1,0,0]=3 1349 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [0,1,1,0,0,0|1,0,0]=3 1350 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [0,1,1,0,0,0|1,0,0]=3 1351 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [0,1,1,0,0,0|1,0,0]=3 1352 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [0,1,1,0,0,0|1,0,0]=3 1353 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [0,1,1,0,0,0|1,0,0]=3 1354 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [0,1,1,0,0,0|1,0,0]=3 1355 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [0,1,1,0,0,0|1,0,0]=3 1356 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [0,1,1,0,0,0|1,0,0]=3 1357 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [0,1,1,0,0,0|1,0,0]=3 1358 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [0,1,1,0,0,0|1,0,0]=3 1359 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [0,1,1,0,0,0|1,0,0]=3 1360 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [0,1,1,0,0,0|1,0,0]=3 1361 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [0,1,1,0,0,0|1,0,0]=3 1362 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [0,1,1,0,0,0|1,0,0]=3 1363 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [0,1,1,0,0,0|1,0,0]=3 1364 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [0,1,1,0,0,0|2,0,0]=4 1365 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [0,1,1,0,0,0|2,0,0]=4 1366 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [0,1,1,0,0,0|1,0,0]=3 1367 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [0,1,1,0,0,0|1,0,0]=3 1368 B7R0.7 CCCC(C)SCF 62a_100000766640_100015361967 [0,1,1,0,0,0|2,0,0]=4 1369 B7R0.7 CCCC(C)SCF 62a_100015361967_100000766640 [0,1,1,0,0,0|2,0,0]=4 1370 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [0,1,1,0,0,0|2,0,0]=4 1371 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [0,1,1,0,0,0|2,0,0]=4 1372 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [0,1,1,0,0,0|2,0,0]=4 1373 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [0,1,1,0,0,0|2,0,0]=4 1374 B7R0.7 CCCN(C)CCF 2230a_100000747261_100011217306 [0,1,1,0,0,0|2,0,0]=4 1375 B7R0.7 CCCN(C)CCF 269982a_100000747261_100011217306 [0,1,1,0,0,0|2,0,0]=4 1376 B7R0.7 CCCN(C)CCO 2230a_100000210263_100000210303 [0,1,1,0,0,0|2,0,0]=4 1377 B7R0.7 CCCN(C)CCO 2230a_100000211420_200000210301 [0,1,1,0,0,0|2,0,0]=4 1378 B7R0.7 CCCN(C)CCO 2230a_100000747261_100000211926 [0,1,1,0,0,0|2,0,0]=4 1379 B7R0.7 CCCN(C)CCO 269982a_100000210263_100000210303 [0,1,1,0,0,0|2,0,0]=4 1380 B7R0.7 CCCN(C)CCO 269982a_100000211420_200000210301 [0,1,1,0,0,0|2,0,0]=4 1381 B7R0.7 CCCN(C)CCO 269982a_100000747261_100000211926 [0,1,1,0,0,0|2,0,0]=4 1382 B7R0.7 CCCN(C)COC 2230a_100000747261_100000766300 [0,1,1,0,0,0|2,0,0]=4 1383 B7R0.7 CCCN(C)COC 269982a_100000747261_100000766300 [0,1,1,0,0,0|2,0,0]=4 1384 B7R0.7 CCCN(C)CSC 2230a_100000747261_100011218213 [0,1,1,0,0,0|2,0,0]=4 1385 B7R0.7 CCCN(C)CSC 269982a_100000747261_100011218213 [0,1,1,0,0,0|2,0,0]=4 1386 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [0,1,1,0,0,0|2,0,0]=4 1387 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [0,1,1,0,0,0|2,0,0]=4 1388 B7R0.7 CCCN([13CH3])CCO 2230a_100000211420_200025704644 [0,1,1,0,0,0|2,0,0]=4 1389 B7R0.7 CCCN([13CH3])CCO 269982a_100000211420_200025704644 [0,1,1,0,0,0|2,0,0]=4 1390 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [0,1,1,0,0,0|1,0,0]=3 1391 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [0,1,1,0,0,0|1,0,0]=3 1392 B7R0.7 CCNC(C)CCO 2230a_100015525214_100009893172 [0,1,1,0,0,0|2,0,0]=4 1393 B7R0.7 CCNC(C)COC 2230a_100015525214_100000765312 [0,1,1,0,0,0|2,0,0]=4 1394 B7R0.7 CCNC(C)COC 270004a_100015525214_100000749346 [0,1,1,0,0,0|2,0,0]=4 1395 B7R0.7 CCNC(C)CSC 270004a_100015525214_100011216314 [0,1,1,0,0,0|2,0,0]=4 1396 B7R0.7 CCN[C@H](C)CCO 2230a_100000706166_100000210202 [0,1,1,0,0,0|2,0,0]=4 1397 B7R0.7 CCN[C@H](C)CCO 34a_100000706166_100000210202 [0,1,1,0,0,0|2,0,0]=4 1398 B7R0.7 CCN[C@H](C)COC 2230a_100000764878_100000210202 [0,1,1,0,0,0|2,0,0]=4 1399 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [0,1,1,0,0,0|2,0,0]=4 1400 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [0,1,1,0,0,0|2,0,0]=4 1401 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [0,1,1,0,0,0|2,0,0]=4 1402 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [0,1,1,0,0,0|2,0,0]=4 1403 B7R0.7 CCSC(C)CCO 62a_100000210202_100009893172 [0,1,1,0,0,0|2,0,0]=4 1404 B7R0.7 CCSC(C)CCO 62a_100009893172_100000210202 [0,1,1,0,0,0|2,0,0]=4 1405 B7R0.7 CCSC(C)COC 62a_100000210202_100000765312 [0,1,1,0,0,0|2,0,0]=4 1406 B7R0.7 CCSC(C)COC 62a_100000765312_100000210202 [0,1,1,0,0,0|2,0,0]=4 1407 B7R0.7 CNCC(O)COC 2230a_100000756049_200000210301 [0,1,1,0,0,0|1,0,0]=3 1408 B7R0.7 CNCC(O)COC 34a_100000756049_200000210301 [0,1,1,0,0,0|1,0,0]=3 1409 B7R0.7 CNCC(O)COC 34a_100102657272_100011215053 [0,1,1,0,0,0|1,0,0]=3 1410 B7R0.7 CNCC(O)COC 7a_106832991635_100011215053 [0,1,1,0,0,0|1,0,0]=3 1411 B7R0.7 CNC[C@@H](O)CC#N 2230a_106832991635_100000001066 [0,1,1,0,0,0|1,0,1]=4 1412 B7R0.7 CNC[C@@H](O)CC#N 7a_106832991635_100000001066 [0,1,1,0,0,0|1,0,1]=4 1413 B7R0.7 COCC(C)CCN 34a_106354213184_200000210301 [0,1,1,0,0,0|2,0,0]=4 1414 B7R0.7 COCC(N)COC 34a_100000724102_200000210301 [0,1,1,0,0,0|2,0,0]=4 1415 B7R0.7 COCC(N)CO[13CH3] 34a_100000724102_200025704644 [0,1,1,0,0,0|2,0,0]=4 1416 B7R0.7 COCC(O)CN[13CH3] 2230a_100000756049_200025704644 [0,1,1,0,0,0|1,0,0]=3 1417 B7R0.7 COCC(O)CN[13CH3] 34a_100000756049_200025704644 [0,1,1,0,0,0|1,0,0]=3 1418 B7R0.7 COCC(O)COC 34a_100138415774_100011215053 [0,1,1,0,0,0|1,0,0]=3 1419 B7R0.7 COCC(O)CSC 62a_100011215053_200000210301 [0,1,1,0,0,0|1,0,0]=3 1420 B7R0.7 COCC(O)CSC 62a_200000210301_100011215053 [0,1,1,0,0,0|1,0,0]=3 1421 B7R0.7 COCC(O)CS[13CH3] 62a_100011215053_200025704644 [0,1,1,0,0,0|1,0,0]=3 1422 B7R0.7 COCC(O)CS[13CH3] 62a_200025704644_100011215053 [0,1,1,0,0,0|1,0,0]=3 1423 B7R0.7 CSC[C@@H](O)CC#N 62a_100000001066_200000210301 [0,1,1,0,0,0|1,0,1]=4 1424 B7R0.7 CSC[C@@H](O)CC#N 62a_200000210301_100000001066 [0,1,1,0,0,0|1,0,1]=4 1425 B7R0.7 [13CH3]SC[C@@H](O)CC#N 62a_100000001066_200025704644 [0,1,1,0,0,0|1,0,1]=4 1426 B7R0.7 [13CH3]SC[C@@H](O)CC#N 62a_200025704644_100000001066 [0,1,1,0,0,0|1,0,1]=4 1427 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,1,1,0,0,0|0,0,2]=4 1428 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,1,1,0,0,0|0,0,2]=4 1429 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,1,1,0,0,0|0,0,1]=3 1430 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [0,1,1,0,0,0|1,0,1]=4 1431 B7R0.10 CCC(C)C(C)NC 269862a_106832991636_100000210599 [0,1,1,0,0,0|2,0,0]=4 1432 B7R0.10 CCC(C)C(C)NC 270004a_106832991635_100000210599 [0,1,1,0,0,0|2,0,0]=4 1433 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [0,1,1,0,0,0|2,0,0]=4 1434 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [0,1,1,0,0,0|2,0,0]=4 1435 B7R0.10 CCC(C)N(C)CC 2230a_100000225621_100000758301 [0,1,1,0,0,0|2,0,0]=4 1436 B7R0.10 CCC(C)N(C)CC 2230a_100000732650_200000210301 [0,1,1,0,0,0|2,0,0]=4 1437 B7R0.10 CCC(C)N(C)CC 2230a_100000741768_100000210202 [0,1,1,0,0,0|2,0,0]=4 1438 B7R0.10 CCC(C)N(C)CC 269982a_100000225621_100000758301 [0,1,1,0,0,0|2,0,0]=4 1439 B7R0.10 CCC(C)N(C)CC 269982a_100000732650_200000210301 [0,1,1,0,0,0|2,0,0]=4 1440 B7R0.10 CCC(C)N(C)CC 269982a_100000741768_100000204670 [0,1,1,0,0,0|2,0,0]=4 1441 B7R0.10 CCC(C)N([13CH3])CC 2230a_100000732650_200025704644 [0,1,1,0,0,0|2,0,0]=4 1442 B7R0.10 CCC(C)N([13CH3])CC 269982a_100000732650_200025704644 [0,1,1,0,0,0|2,0,0]=4 1443 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [0,1,1,0,0,0|1,0,1]=4 1444 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [0,1,1,0,0,0|1,0,1]=4 1445 B7R0.11 CCC(C)(C)COC 7a_100000765029_200000210301 [0,1,1,0,0,0|2,0,0]=4 1446 B7R0.11 CCC(C)(C)CO[13CH3] 7a_100000765029_200025704644 [0,1,1,0,0,0|2,0,0]=4 1447 B7R0.11 CCCC(C)(C)OC 7a_100000748436_200000210301 [0,1,1,0,0,0|2,0,0]=4 1448 B7R0.11 CCCC(C)(C)O[13CH3] 7a_100000748436_200025704644 [0,1,1,0,0,0|2,0,0]=4 1449 B7R0.11 CCNC(C)(C)CC 2230a_100000211385_100000210202 [0,1,1,0,0,0|2,0,0]=4 1450 B7R0.11 CCOC(C)(C)CC 7a_100000210230_100000210202 [0,1,1,0,0,0|2,0,0]=4 1451 B7R0.11 CCSC(C)(C)CC 62a_100000032637_100000210202 [0,1,1,0,0,0|2,0,0]=4 1452 B7R0.11 CCSC(C)(C)CC 62a_100000210202_100000032637 [0,1,1,0,0,0|2,0,0]=4 1453 B7R0.12 C#CC(CC)OCC 34a_100000758843_100000210202 [0,1,1,0,0,0|2,0,0]=4 1454 B7R0.12 C#CC(CC)OCC 7a_100000758843_100000210202 [0,1,1,0,0,0|2,0,0]=4 1455 B7R0.12 C#CC(CCC)OC 34a_200011217317_200000210301 [0,1,1,0,0,0|0,0,2]=4 1456 B7R0.12 C#CC(CCC)OC 7a_200011217317_200000210301 [0,1,1,0,0,0|0,0,2]=4 1457 B7R0.12 C#CC(CCC)O[13CH3] 34a_200011217317_200025704644 [0,1,1,0,0,0|0,0,2]=4 1458 B7R0.12 C#CC(CCC)O[13CH3] 7a_200011217317_200025704644 [0,1,1,0,0,0|0,0,2]=4 1459 B7R0.12 C#CCC(CC)OC 34a_200011217983_200000210301 [0,1,1,0,0,0|0,0,2]=4 1460 B7R0.12 C#CCC(CC)OC 7a_200011217983_200000210301 [0,1,1,0,0,0|0,0,2]=4 1461 B7R0.12 C#CCC(CC)O[13CH3] 34a_200011217983_200025704644 [0,1,1,0,0,0|0,0,2]=4 1462 B7R0.12 C#CCC(CC)O[13CH3] 7a_200011217983_200025704644 [0,1,1,0,0,0|0,0,2]=4 1463 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [0,1,1,0,0,0|2,0,0]=4 1464 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [0,1,1,0,0,0|2,0,0]=4 1465 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [0,1,1,0,0,0|0,0,2]=4 1466 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [0,1,1,0,0,0|0,0,2]=4 1467 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [0,1,1,0,0,0|0,0,2]=4 1468 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [0,1,1,0,0,0|0,0,2]=4 1469 B7R0.12 CC#CC(CC)OC 34a_200011219922_200000210301 [0,1,1,0,0,0|0,0,2]=4 1470 B7R0.12 CC#CC(CC)OC 7a_200011219922_200000210301 [0,1,1,0,0,0|0,0,2]=4 1471 B7R0.12 CC#CC(CC)O[13CH3] 34a_200011219922_200025704644 [0,1,1,0,0,0|0,0,2]=4 1472 B7R0.12 CC#CC(CC)O[13CH3] 7a_200011219922_200025704644 [0,1,1,0,0,0|0,0,2]=4 1473 B7R0.12 CCC(CC)CNC 2230a_100102946423_200000210301 [0,1,1,0,0,0|2,0,0]=4 1474 B7R0.12 CCC(CC)CNC 2230a_106832991635_100011215472 [0,1,1,0,0,0|2,0,0]=4 1475 B7R0.12 CCC(CC)CNC 269862a_106832991636_100000211137 [0,1,1,0,0,0|2,0,0]=4 1476 B7R0.12 CCC(CC)CNC 270004a_106832991635_100000211137 [0,1,1,0,0,0|2,0,0]=4 1477 B7R0.12 CCC(CC)CNC 34a_100102657272_100011215472 [0,1,1,0,0,0|2,0,0]=4 1478 B7R0.12 CCC(CC)CNC 7a_106832991635_100011215472 [0,1,1,0,0,0|2,0,0]=4 1479 B7R0.12 CCC(CC)CN[13CH3] 2230a_100102946423_200025704644 [0,1,1,0,0,0|2,0,0]=4 1480 B7R0.12 CCC(CC)COC 34a_100138415774_100011215472 [0,1,1,0,0,0|2,0,0]=4 1481 B7R0.12 CCC(CC)COC 7a_100000703878_200000210301 [0,1,1,0,0,0|2,0,0]=4 1482 B7R0.12 CCC(CC)CO[13CH3] 7a_100000703878_200025704644 [0,1,1,0,0,0|2,0,0]=4 1483 B7R0.12 CCC(CC)CSC 62a_100011215472_200000210301 [0,1,1,0,0,0|2,0,0]=4 1484 B7R0.12 CCC(CC)CSC 62a_200000210301_100011215472 [0,1,1,0,0,0|2,0,0]=4 1485 B7R0.12 CCC(CC)CS[13CH3] 62a_100011215472_200025704644 [0,1,1,0,0,0|2,0,0]=4 1486 B7R0.12 CCC(CC)CS[13CH3] 62a_200025704644_100011215472 [0,1,1,0,0,0|2,0,0]=4 1487 B7R0.12 CCC(COC)NC 2230a_100000757820_200000210301 [0,1,1,0,0,0|2,0,0]=4 1488 B7R0.12 CCC(COC)NC 270004a_106832991635_100000757811 [0,1,1,0,0,0|2,0,0]=4 1489 B7R0.12 CCC(COC)N[13CH3] 2230a_100000757820_200025704644 [0,1,1,0,0,0|2,0,0]=4 1490 B7R0.12 CCC(COC)OC 34a_100011934954_200000210301 [0,1,1,0,0,0|1,0,0]=3 1491 B7R0.12 CCC(COC)OC 7a_100011934954_200000210301 [0,1,1,0,0,0|1,0,0]=3 1492 B7R0.12 CCC(COC)OC 7a_200011214946_200000210301 [0,1,1,0,0,0|1,0,0]=3 1493 B7R0.12 CCC(COC)O[13CH3] 7a_200011214946_200025704644 [0,1,1,0,0,0|1,0,0]=3 1494 B7R0.12 CCC(CO[13CH3])OC 34a_100011934954_200025704644 [0,1,1,0,0,0|1,0,0]=3 1495 B7R0.12 CCC(CO[13CH3])OC 7a_100011934954_200025704644 [0,1,1,0,0,0|1,0,0]=3 1496 B7R0.12 CCCC(C#N)OC 34a_100000686963_200000210301 [0,1,1,0,0,0|1,0,1]=4 1497 B7R0.12 CCCC(C#N)OC 7a_100000686963_200000210301 [0,1,1,0,0,0|1,0,1]=4 1498 B7R0.12 CCCC(C#N)O[13CH3] 34a_100000686963_200025704644 [0,1,1,0,0,0|1,0,1]=4 1499 B7R0.12 CCCC(C#N)O[13CH3] 7a_100000686963_200025704644 [0,1,1,0,0,0|1,0,1]=4 1500 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [0,1,1,0,0,0|1,0,0]=3 1501 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [0,1,1,0,0,0|1,0,0]=3 1502 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [0,1,1,0,0,0|1,0,0]=3 1503 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [0,1,1,0,0,0|1,0,0]=3 1504 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [0,1,1,0,0,0|0,0,0]=2 1505 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [0,1,1,0,0,0|0,0,0]=2 1506 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [0,1,1,0,0,0|0,0,0]=2 1507 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [0,1,1,0,0,0|0,0,0]=2 1508 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [0,1,1,0,0,0|0,1,0]=3 1509 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [0,1,1,0,0,0|0,1,0]=3 1510 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [0,1,1,0,0,0|0,1,0]=3 1511 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [0,1,1,0,0,0|0,1,0]=3 1512 B7R0.12 CCCN(CC)CC 2230a_100000226822_100000210202 [0,1,1,0,0,0|2,0,0]=4 1513 B7R0.12 CCCN(CC)CC 2230a_100000724800_100000210303 [0,1,1,0,0,0|2,0,0]=4 1514 B7R0.12 CCCN(CC)CC 269956a_100000042499_100000210207 [0,1,1,0,0,0|2,0,0]=4 1515 B7R0.12 CCCN(CC)CC 269982a_100000226822_100000204670 [0,1,1,0,0,0|2,0,0]=4 1516 B7R0.12 CCCN(CC)CC 269982a_100000724800_100000210303 [0,1,1,0,0,0|2,0,0]=4 1517 B7R0.12 CCCN(CC)CF 269982a_100000226822_100015361967 [0,1,1,0,0,0|2,0,0]=4 1518 B7R0.12 CCC[C@@H](CO)NC 2230a_100000732646_200000210301 [0,1,1,0,0,0|1,0,0]=3 1519 B7R0.12 CCC[C@@H](CO)NC 34a_100000732646_200000210301 [0,1,1,0,0,0|1,0,0]=3 1520 B7R0.12 CCC[C@@H](CO)N[13CH3] 2230a_100000732646_200025704644 [0,1,1,0,0,0|1,0,0]=3 1521 B7R0.12 CCC[C@@H](CO)N[13CH3] 34a_100000732646_200025704644 [0,1,1,0,0,0|1,0,0]=3 1522 B7R0.12 CCNC(CC)CC 2230a_100000199018_100000210202 [0,1,1,0,0,0|2,0,0]=4 1523 B7R0.12 CCNC(CC)CC 270004a_100015525214_100000210860 [0,1,1,0,0,0|2,0,0]=4 1524 B7R0.12 CCNC(CO)CO 2230a_100000759517_100000210202 [0,1,1,0,0,0|2,0,0]=4 1525 B7R0.12 CCN[C@@H](CC)CO 2230a_100000709445_100000210202 [0,1,1,0,0,0|1,0,0]=3 1526 B7R0.12 CCOC(CC)CC 7a_100000688536_100000210202 [0,1,1,0,0,0|2,0,0]=4 1527 B7R0.12 CCSC(CC)CC 62a_100000210202_100000210505 [0,1,1,0,0,0|2,0,0]=4 1528 B7R0.12 CCSC(CC)CC 62a_100000210505_100000210202 [0,1,1,0,0,0|2,0,0]=4 1529 B7R0.12 CNC(CO)COC 2230a_100000724102_200000210301 [0,1,1,0,0,0|2,0,0]=4 1530 B7R0.12 CNC(CO)COC 34a_100000724102_200000210301 [0,1,1,0,0,0|2,0,0]=4 1531 B7R0.12 CNCC(OC)OC 2230a_106832991635_100000751394 [0,1,1,0,0,0|2,0,0]=4 1532 B7R0.12 CNCC(OC)OC 270004a_106832991635_100000752162 [0,1,1,0,0,0|2,0,0]=4 1533 B7R0.12 CNCC(OC)OC 34a_100102657272_100000211822 [0,1,1,0,0,0|2,0,0]=4 1534 B7R0.12 CNCC(OC)OC 7a_106832991635_100000751394 [0,1,1,0,0,0|2,0,0]=4 1535 B7R0.12 COC(CO[13CH3])OC 34a_100011216393_200025704644 [0,1,1,0,0,0|2,0,0]=4 1536 B7R0.12 COC(CSC)OC 62a_100000751394_200000210301 [0,1,1,0,0,0|2,0,0]=4 1537 B7R0.12 COC(CSC)OC 62a_200000210301_100000751394 [0,1,1,0,0,0|2,0,0]=4 1538 B7R0.12 COC(CS[13CH3])OC 62a_100000751394_200025704644 [0,1,1,0,0,0|2,0,0]=4 1539 B7R0.12 COC(CS[13CH3])OC 62a_200025704644_100000751394 [0,1,1,0,0,0|2,0,0]=4 1540 B7R0.12 COCC(CCl)OC 34a_100011215053_200000210301 [0,1,1,0,0,0|2,0,0]=4 1541 B7R0.12 COCC(CCl)O[13CH3] 34a_100011215053_200025704644 [0,1,1,0,0,0|2,0,0]=4 1542 B7R0.12 COCC(CN)OC 34a_100000756049_200000210301 [0,1,1,0,0,0|2,0,0]=4 1543 B7R0.12 COCC(CN)O[13CH3] 34a_100000756049_200025704644 [0,1,1,0,0,0|2,0,0]=4 1544 B7R0.12 COCC(CO)N[13CH3] 2230a_100000724102_200025704644 [0,1,1,0,0,0|2,0,0]=4 1545 B7R0.12 COCC(CO)N[13CH3] 34a_100000724102_200025704644 [0,1,1,0,0,0|2,0,0]=4 1546 B7R0.12 COCC(OC)OC 34a_100011216393_200000210301 [0,1,1,0,0,0|2,0,0]=4 1547 B7R0.12 COCC(OC)OC 34a_100138415774_100000211822 [0,1,1,0,0,0|2,0,0]=4 1548 B7R0.4 C#CCNCC(C)O 2230a_100000210904_100000038162 [0,1,1,0,0,0|0,0,2]=4 1549 B7R0.4 C#CCNCC(C)O 34a_100000210904_100000184674 [0,1,1,0,0,0|0,0,2]=4 1550 B7R0.4 C#CCNCC(C)O 34a_100000212058_100011218427 [0,1,1,0,0,0|0,0,2]=4 1551 B7R0.4 C#CCNC[C@@H](C)O 34a_100000212058_100009817552 [0,1,1,0,0,0|0,0,2]=4 1552 B7R0.4 C#CCOCC(C)O 34a_100000210247_100011218427 [0,1,1,0,0,0|0,0,2]=4 1553 B7R0.4 C#CCOC[C@@H](C)O 34a_100000210247_100009817552 [0,1,1,0,0,0|0,0,2]=4 1554 B7R0.4 C#CCSCC(C)O 62a_100000038162_100011218427 [0,1,1,0,0,0|0,0,2]=4 1555 B7R0.4 C#CCSC[C@@H](C)O 62a_100000038162_100009817552 [0,1,1,0,0,0|0,0,2]=4 1556 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [0,1,1,0,0,0|1,0,1]=4 1557 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [0,1,1,0,0,0|1,0,1]=4 1558 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [0,1,1,0,0,0|1,0,1]=4 1559 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [0,1,1,0,0,0|1,0,1]=4 1560 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [0,1,1,0,0,0|1,0,1]=4 1561 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [0,1,1,0,0,0|1,0,1]=4 1562 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [0,1,1,0,0,0|1,0,1]=4 1563 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [0,1,1,0,0,0|1,0,1]=4 1564 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [0,1,1,0,0,0|1,0,1]=4 1565 B7R0.4 C=CCNCC(C)O 2230a_100000210904_100000210623 [0,1,1,0,0,0|0,0,2]=4 1566 B7R0.4 C=CCNCC(C)O 2230a_100020586998_100011218427 [0,1,1,0,0,0|0,0,2]=4 1567 B7R0.4 C=CCNCC(C)O 34a_100000210904_100015514636 [0,1,1,0,0,0|0,0,2]=4 1568 B7R0.4 C=CCNC[C@@H](C)O 2230a_100020586998_100009817552 [0,1,1,0,0,0|0,0,2]=4 1569 B7R0.4 C=CCOCC(C)O 34a_200000210373_100011218427 [0,1,1,0,0,0|0,0,2]=4 1570 B7R0.4 C=CCOC[C@@H](C)O 34a_200000210373_100009817552 [0,1,1,0,0,0|0,0,2]=4 1571 B7R0.4 C=CCSCC(C)O 62a_100000210623_100011218427 [0,1,1,0,0,0|0,0,2]=4 1572 B7R0.4 C=CCSCC(C)O 62a_100011218427_100000210623 [0,1,1,0,0,0|0,0,2]=4 1573 B7R0.4 C=CCSC[C@@H](C)O 62a_100000210623_100009817552 [0,1,1,0,0,0|0,0,2]=4 1574 B7R0.4 C=CCSC[C@@H](C)O 62a_100009817552_100000210623 [0,1,1,0,0,0|0,0,2]=4 1575 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [0,1,1,0,0,0|0,0,2]=4 1576 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [0,1,1,0,0,0|0,0,2]=4 1577 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [0,1,1,0,0,0|0,0,2]=4 1578 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [0,1,1,0,0,0|0,0,2]=4 1579 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [0,1,1,0,0,0|0,0,2]=4 1580 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [0,1,1,0,0,0|0,0,2]=4 1581 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [0,1,1,0,0,0|0,0,2]=4 1582 B7R0.4 CC(Br)CCOCF 34a_100009893172_100015361967 [0,1,1,0,0,0|2,0,0]=4 1583 B7R0.4 CC(Br)COCCF 34a_100012180447_100011217306 [0,1,1,0,0,0|2,0,0]=4 1584 B7R0.4 CC(Br)COCCO 34a_100012180447_100000211926 [0,1,1,0,0,0|2,0,0]=4 1585 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [0,1,1,0,0,0|1,0,0]=3 1586 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [0,1,1,0,0,0|1,0,0]=3 1587 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [0,1,1,0,0,0|1,0,0]=3 1588 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [0,1,1,0,0,0|1,0,0]=3 1589 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [0,1,1,0,0,0|1,0,0]=3 1590 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [0,1,1,0,0,0|1,0,0]=3 1591 B7R0.4 CC(C)CCOCF 34a_100000210254_100015361967 [0,1,1,0,0,0|2,0,0]=4 1592 B7R0.4 CC(C)CCOCF 7a_100000210254_100015361967 [0,1,1,0,0,0|2,0,0]=4 1593 B7R0.4 CC(C)CCSCF 62a_100000210312_100015361967 [0,1,1,0,0,0|2,0,0]=4 1594 B7R0.4 CC(C)CCSCF 62a_100015361967_100000210312 [0,1,1,0,0,0|2,0,0]=4 1595 B7R0.4 CC(C)CNCCF 2230a_100000210953_100011217306 [0,1,1,0,0,0|2,0,0]=4 1596 B7R0.4 CC(C)CNCCF 34a_100000210953_100011217306 [0,1,1,0,0,0|2,0,0]=4 1597 B7R0.4 CC(C)CNCCF 34a_100000724931_100000210624 [0,1,1,0,0,0|2,0,0]=4 1598 B7R0.4 CC(C)CNCCO 2230a_100000210953_100000211926 [0,1,1,0,0,0|2,0,0]=4 1599 B7R0.4 CC(C)CNCCO 2230a_100016997473_100000210760 [0,1,1,0,0,0|2,0,0]=4 1600 B7R0.4 CC(C)CNCCO 270004a_100000210304_100000210432 [0,1,1,0,0,0|2,0,0]=4 1601 B7R0.4 CC(C)CNCCO 34a_100000210953_100000211926 [0,1,1,0,0,0|2,0,0]=4 1602 B7R0.4 CC(C)CNCCO 34a_100016990907_100000210624 [0,1,1,0,0,0|2,0,0]=4 1603 B7R0.4 CC(C)COCCBr 34a_100000211926_100000210624 [0,1,1,0,0,0|2,0,0]=4 1604 B7R0.4 CC(C)COCCF 34a_100000210257_100011217306 [0,1,1,0,0,0|2,0,0]=4 1605 B7R0.4 CC(C)COCCN 34a_100000210304_100000210624 [0,1,1,0,0,0|2,0,0]=4 1606 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [0,1,1,0,0,0|2,0,0]=4 1607 B7R0.4 CC(C)CSCCF 62a_100000210624_100011217306 [0,1,1,0,0,0|2,0,0]=4 1608 B7R0.4 CC(C)CSCCF 62a_100011217306_100000210760 [0,1,1,0,0,0|2,0,0]=4 1609 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [0,1,1,0,0,0|2,0,0]=4 1610 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [0,1,1,0,0,0|2,0,0]=4 1611 B7R0.4 CC(C)NCCCF 2230a_100015189416_100000210206 [0,1,1,0,0,0|2,0,0]=4 1612 B7R0.4 CC(C)NCCCF 2230a_100138425928_100011934791 [0,1,1,0,0,0|2,0,0]=4 1613 B7R0.4 CC(C)NCCCF 34a_100015189416_100000210206 [0,1,1,0,0,0|2,0,0]=4 1614 B7R0.4 CC(C)NCCCF 34a_100138425928_100011934791 [0,1,1,0,0,0|2,0,0]=4 1615 B7R0.4 CC(C)NCCCO 2230a_100138425928_100000230001 [0,1,1,0,0,0|2,0,0]=4 1616 B7R0.4 CC(C)NCCCO 34a_100138425928_100000230001 [0,1,1,0,0,0|2,0,0]=4 1617 B7R0.4 CC(C)NCCO[13CH3] 34a_100000224655_200025704644 [0,1,1,0,0,0|2,0,0]=4 1618 B7R0.4 CC(C)OCCCBr 34a_100011217188_100000210206 [0,1,1,0,0,0|2,0,0]=4 1619 B7R0.4 CC(C)OCCCCl 34a_100000230001_100000210206 [0,1,1,0,0,0|2,0,0]=4 1620 B7R0.4 CC(C)OCCCF 34a_100000212225_100011934791 [0,1,1,0,0,0|2,0,0]=4 1621 B7R0.4 CC(C)OCCCF 34a_100000759539_100000210206 [0,1,1,0,0,0|2,0,0]=4 1622 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [0,1,1,0,0,0|2,0,0]=4 1623 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [0,1,1,0,0,0|2,0,0]=4 1624 B7R0.4 CC(C)OCCN[13CH3] 2230a_100000701111_200025704644 [0,1,1,0,0,0|2,0,0]=4 1625 B7R0.4 CC(C)OCCN[13CH3] 34a_100000701111_200025704644 [0,1,1,0,0,0|2,0,0]=4 1626 B7R0.4 CC(C)OCCO[13CH3] 34a_100000211219_200025704644 [0,1,1,0,0,0|2,0,0]=4 1627 B7R0.4 CC(C)OCCO[13CH3] 7a_100000211219_200025704644 [0,1,1,0,0,0|2,0,0]=4 1628 B7R0.4 CC(C)OCCS[13CH3] 62a_100000211751_200025704644 [0,1,1,0,0,0|2,0,0]=4 1629 B7R0.4 CC(C)OCCS[13CH3] 62a_200025704644_100000211751 [0,1,1,0,0,0|2,0,0]=4 1630 B7R0.4 CC(C)SCCCF 62a_100000210206_100011934791 [0,1,1,0,0,0|2,0,0]=4 1631 B7R0.4 CC(C)SCCCF 62a_100011934791_100000210206 [0,1,1,0,0,0|2,0,0]=4 1632 B7R0.4 CC(C)SCCCO 62a_100000210206_100011215043 [0,1,1,0,0,0|2,0,0]=4 1633 B7R0.4 CC(C)SCCCO 62a_100011215043_100000210206 [0,1,1,0,0,0|2,0,0]=4 1634 B7R0.4 CC(C)SCCN[13CH3] 2230a_100000731138_200025704644 [0,1,1,0,0,0|2,0,0]=4 1635 B7R0.4 CC(C)SCCN[13CH3] 34a_100000731138_200025704644 [0,1,1,0,0,0|2,0,0]=4 1636 B7R0.4 CC(C)SCCO[13CH3] 34a_200011212901_200025704644 [0,1,1,0,0,0|2,0,0]=4 1637 B7R0.4 CC(C)SCCO[13CH3] 7a_200011212901_200025704644 [0,1,1,0,0,0|2,0,0]=4 1638 B7R0.4 CC(C)SCCS[13CH3] 62a_100000730970_200025704644 [0,1,1,0,0,0|2,0,0]=4 1639 B7R0.4 CC(C)SCCS[13CH3] 62a_200025704644_100000730970 [0,1,1,0,0,0|2,0,0]=4 1640 B7R0.4 CC(F)COCCF 34a_100015925927_100011217306 [0,1,1,0,0,0|2,0,0]=4 1641 B7R0.4 CC(F)COCCO 34a_100015925927_100000211926 [0,1,1,0,0,0|2,0,0]=4 1642 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [0,1,1,0,0,0|0,0,0]=2 1643 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [0,1,1,0,0,0|0,0,0]=2 1644 B7R0.4 CC(O)CCSCF 62a_100012276601_100015361967 [0,1,1,0,0,0|1,0,0]=3 1645 B7R0.4 CC(O)CCSCF 62a_100015361967_100012276601 [0,1,1,0,0,0|1,0,0]=3 1646 B7R0.4 CC(O)CNCC#N 2230a_100000210904_100011215382 [0,1,1,0,0,0|1,0,1]=4 1647 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [0,1,1,0,0,0|1,0,1]=4 1648 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [0,1,1,0,0,0|1,0,1]=4 1649 B7R0.4 CC(O)CNCCF 2230a_100000210904_100011217306 [0,1,1,0,0,0|1,0,0]=3 1650 B7R0.4 CC(O)CNCCF 34a_100000210904_100011217306 [0,1,1,0,0,0|1,0,0]=3 1651 B7R0.4 CC(O)CNCCF 34a_100000724931_100011218427 [0,1,1,0,0,0|1,0,0]=3 1652 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [0,1,1,0,0,0|1,0,0]=3 1653 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [0,1,1,0,0,0|1,0,0]=3 1654 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [0,1,1,0,0,0|1,0,0]=3 1655 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [0,1,1,0,0,0|1,0,0]=3 1656 B7R0.4 CC(O)COCCBr 34a_100000211926_100011218427 [0,1,1,0,0,0|1,0,0]=3 1657 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [0,1,1,0,0,0|1,0,0]=3 1658 B7R0.4 CC(O)CSCC#N 62a_100011215382_100011218427 [0,1,1,0,0,0|1,0,1]=4 1659 B7R0.4 CC(O)CSCC#N 62a_100011218427_100011215382 [0,1,1,0,0,0|1,0,1]=4 1660 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [0,1,1,0,0,0|1,0,1]=4 1661 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [0,1,1,0,0,0|1,0,1]=4 1662 B7R0.4 CC(O)CSCCF 62a_100011217306_100011218427 [0,1,1,0,0,0|1,0,0]=3 1663 B7R0.4 CC(O)CSCCF 62a_100011218427_100011217306 [0,1,1,0,0,0|1,0,0]=3 1664 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [0,1,1,0,0,0|1,0,0]=3 1665 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [0,1,1,0,0,0|1,0,0]=3 1666 B7R0.4 CC=NNCC(C)O 4a_200000730056_200000210099 [0,1,1,0,0,0|1,0,1]=4 1667 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [0,1,1,0,0,0|0,0,2]=4 1668 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [0,1,1,0,0,0|0,0,2]=4 1669 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [0,1,1,0,0,0|0,0,2]=4 1670 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [0,1,1,0,0,0|2,0,0]=4 1671 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [0,1,1,0,0,0|2,0,0]=4 1672 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [0,1,1,0,0,0|2,0,0]=4 1673 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [0,1,1,0,0,0|2,0,0]=4 1674 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [0,1,1,0,0,0|2,0,0]=4 1675 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [0,1,1,0,0,0|2,0,0]=4 1676 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [0,1,1,0,0,0|0,0,2]=4 1677 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [0,1,1,0,0,0|0,0,2]=4 1678 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [0,1,1,0,0,0|0,0,2]=4 1679 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [0,1,1,0,0,0|0,0,2]=4 1680 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [0,1,1,0,0,0|1,0,0]=3 1681 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [0,1,1,0,0,0|1,0,0]=3 1682 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [0,1,1,0,0,0|1,0,0]=3 1683 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [0,1,1,0,0,0|1,0,0]=3 1684 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [0,1,1,0,0,0|1,0,0]=3 1685 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [0,1,1,0,0,0|1,0,0]=3 1686 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [0,1,1,0,0,0|1,0,0]=3 1687 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [0,1,1,0,0,0|1,0,0]=3 1688 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [0,1,1,0,0,0|1,0,0]=3 1689 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [0,1,1,0,0,0|1,0,1]=4 1690 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [0,1,1,0,0,0|1,0,0]=3 1691 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [0,1,1,0,0,0|1,0,0]=3 1692 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [0,1,1,0,0,0|1,0,0]=3 1693 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [0,1,1,0,0,0|0,0,0]=2 1694 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [0,1,1,0,0,0|0,0,0]=2 1695 B7R0.4 CCCNCC(F)F 34a_100000765723_100000210303 [0,1,1,0,0,0|2,0,0]=4 1696 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,1,1,0,0,0|0,0,2]=4 1697 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,1,1,0,0,0|0,0,2]=4 1698 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,1,1,0,0,0|0,0,2]=4 1699 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [0,1,1,0,0,0|1,0,0]=3 1700 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [0,1,1,0,0,0|1,0,0]=3 1701 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [0,1,1,0,0,0|1,0,0]=3 1702 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [0,1,1,0,0,0|1,0,0]=3 1703 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [0,1,1,0,0,0|0,0,0]=2 1704 B7R0.4 CCCOCC(F)F 34a_100000210258_100011934356 [0,1,1,0,0,0|2,0,0]=4 1705 B7R0.4 CCCOCC(F)F 34a_100000743014_100000210303 [0,1,1,0,0,0|2,0,0]=4 1706 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [0,1,1,0,0,0|1,0,0]=3 1707 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [0,1,1,0,0,0|1,0,0]=3 1708 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [0,1,1,0,0,0|0,0,0]=2 1709 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [0,1,1,0,0,0|0,0,2]=4 1710 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [0,1,1,0,0,0|0,0,2]=4 1711 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [0,1,1,0,0,0|1,0,0]=3 1712 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [0,1,1,0,0,0|1,0,0]=3 1713 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [0,1,1,0,0,0|0,0,0]=2 1714 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [0,1,1,0,0,0|0,0,0]=2 1715 B7R0.4 CCCSCC(F)F 62a_100000210303_100011934356 [0,1,1,0,0,0|2,0,0]=4 1716 B7R0.4 CCCSCC(F)F 62a_100011934356_100000210303 [0,1,1,0,0,0|2,0,0]=4 1717 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [0,1,1,0,0,0|0,0,0]=2 1718 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [0,1,1,0,0,0|0,0,0]=2 1719 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [0,1,1,0,0,0|1,0,0]=3 1720 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [0,1,1,0,0,0|1,0,0]=3 1721 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [0,1,1,0,0,0|0,0,0]=2 1722 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [0,1,1,0,0,0|0,0,0]=2 1723 B7R0.4 CCNCOC(C)C 2230a_100015525214_100000709892 [0,1,1,0,0,0|2,0,0]=4 1724 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [0,1,1,0,0,0|0,0,2]=4 1725 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [0,1,1,0,0,0|0,0,2]=4 1726 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [0,1,1,0,0,0|0,0,2]=4 1727 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [0,1,1,0,0,0|0,0,2]=4 1728 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [0,1,1,0,0,0|0,0,2]=4 1729 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [0,1,1,0,0,0|1,0,0]=3 1730 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [0,1,1,0,0,0|1,0,0]=3 1731 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [0,1,1,0,0,0|1,0,0]=3 1732 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [0,1,1,0,0,0|1,0,0]=3 1733 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [0,1,1,0,0,0|0,0,0]=2 1734 B7R0.4 CCOCCC(F)F 34a_100103093639_100000210202 [0,1,1,0,0,0|2,0,0]=4 1735 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [0,1,1,0,0,0|2,0,0]=4 1736 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [0,1,1,0,0,0|2,0,0]=4 1737 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [0,1,1,0,0,0|1,0,0]=3 1738 B7R0.4 CCOCOC(C)C 34a_100121572206_100000709892 [0,1,1,0,0,0|2,0,0]=4 1739 B7R0.4 CCOCSC(C)C 62a_100000210206_100000739092 [0,1,1,0,0,0|2,0,0]=4 1740 B7R0.4 CCOCSC(C)C 62a_100000739092_100000210206 [0,1,1,0,0,0|2,0,0]=4 1741 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [0,1,1,0,0,0|0,0,2]=4 1742 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [0,1,1,0,0,0|0,0,2]=4 1743 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [0,1,1,0,0,0|0,0,2]=4 1744 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [0,1,1,0,0,0|0,0,2]=4 1745 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [0,1,1,0,0,0|0,0,2]=4 1746 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [0,1,1,0,0,0|1,0,0]=3 1747 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [0,1,1,0,0,0|1,0,0]=3 1748 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [0,1,1,0,0,0|0,0,0]=2 1749 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [0,1,1,0,0,0|0,0,0]=2 1750 B7R0.4 CCSCCN(C)C 2230a_100102631434_100000757381 [0,1,1,0,0,0|2,0,0]=4 1751 B7R0.4 CCSCCN(C)C 269982a_100102631434_100000757381 [0,1,1,0,0,0|2,0,0]=4 1752 B7R0.4 CCSCCN(C)C 62a_100000210202_100000755713 [0,1,1,0,0,0|2,0,0]=4 1753 B7R0.4 CCSCOC(C)C 62a_100000210202_100000709892 [0,1,1,0,0,0|2,0,0]=4 1754 B7R0.4 CCSCOC(C)C 62a_100000709892_100000210202 [0,1,1,0,0,0|2,0,0]=4 1755 B7R0.4 CN(C)CCCCF 2230a_100102631434_100000729493 [0,1,1,0,0,0|2,0,0]=4 1756 B7R0.4 CN(C)CCCCF 269982a_100102631434_100000729493 [0,1,1,0,0,0|2,0,0]=4 1757 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [0,1,1,0,0,0|2,0,0]=4 1758 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [0,1,1,0,0,0|2,0,0]=4 1759 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [0,1,1,0,0,0|2,0,0]=4 1760 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [0,1,1,0,0,0|2,0,0]=4 1761 B7R0.4 CN(C)CCCS[13CH3] 62a_200025704644_100000757444 [0,1,1,0,0,0|2,0,0]=4 1762 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [0,1,1,0,0,0|2,0,0]=4 1763 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [0,1,1,0,0,0|2,0,0]=4 1764 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [0,1,1,0,0,0|0,0,2]=4 1765 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [0,1,1,0,0,0|0,0,2]=4 1766 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [0,1,1,0,0,0|1,0,0]=3 1767 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [0,1,1,0,0,0|1,0,0]=3 1768 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [0,1,1,0,0,0|1,0,0]=3 1769 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [0,1,1,0,0,0|1,0,0]=3 1770 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [0,1,1,0,0,0|1,0,0]=3 1771 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [0,1,1,0,0,0|0,0,0]=2 1772 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [0,1,1,0,0,0|0,0,0]=2 1773 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [0,1,1,0,0,0|0,0,0]=2 1774 B7R0.4 CNCCCN(C)C 7a_106832991635_100000757444 [0,1,1,0,0,0|2,0,0]=4 1775 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [0,1,1,0,0,0|1,0,1]=4 1776 B7R0.4 CNCCOC(C)C 2230a_100000701111_200000210301 [0,1,1,0,0,0|2,0,0]=4 1777 B7R0.4 CNCCOC(C)C 2230a_106832991635_100000211751 [0,1,1,0,0,0|2,0,0]=4 1778 B7R0.4 CNCCOC(C)C 34a_100000701111_200000210301 [0,1,1,0,0,0|2,0,0]=4 1779 B7R0.4 CNCCOC(C)C 34a_100102657272_100000211751 [0,1,1,0,0,0|2,0,0]=4 1780 B7R0.4 CNCCOC(C)C 7a_106832991635_100000211751 [0,1,1,0,0,0|2,0,0]=4 1781 B7R0.4 CNCCSC(C)C 2230a_100000731138_200000210301 [0,1,1,0,0,0|2,0,0]=4 1782 B7R0.4 CNCCSC(C)C 2230a_106832991635_100000730970 [0,1,1,0,0,0|2,0,0]=4 1783 B7R0.4 CNCCSC(C)C 34a_100000731138_200000210301 [0,1,1,0,0,0|2,0,0]=4 1784 B7R0.4 CNCCSC(C)C 34a_100102657272_100000730970 [0,1,1,0,0,0|2,0,0]=4 1785 B7R0.4 CNCCSC(C)C 7a_106832991635_100000730970 [0,1,1,0,0,0|2,0,0]=4 1786 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [0,1,1,0,0,0|0,0,2]=4 1787 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [0,1,1,0,0,0|0,0,2]=4 1788 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [0,1,1,0,0,0|0,0,2]=4 1789 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [0,1,1,0,0,0|0,0,2]=4 1790 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [0,1,1,0,0,0|0,0,2]=4 1791 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [0,1,1,0,0,0|0,0,2]=4 1792 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [0,1,1,0,0,0|1,0,0]=3 1793 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [0,1,1,0,0,0|1,0,0]=3 1794 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [0,1,1,0,0,0|1,0,0]=3 1795 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [0,1,1,0,0,0|0,0,0]=2 1796 B7R0.4 COCCCN(C)C 2230a_100000224831_200000210301 [0,1,1,0,0,0|2,0,0]=4 1797 B7R0.4 COCCCN(C)C 2230a_100102631434_100000740836 [0,1,1,0,0,0|2,0,0]=4 1798 B7R0.4 COCCCN(C)C 269982a_100000224831_200000210301 [0,1,1,0,0,0|2,0,0]=4 1799 B7R0.4 COCCCN(C)C 269982a_100102631434_100000740836 [0,1,1,0,0,0|2,0,0]=4 1800 B7R0.4 COCCCN(C)[13CH3] 2230a_100000224831_200025704644 [0,1,1,0,0,0|2,0,0]=4 1801 B7R0.4 COCCCN(C)[13CH3] 269982a_100000224831_200025704644 [0,1,1,0,0,0|2,0,0]=4 1802 B7R0.4 COCCNC(C)C 2230a_100000209980_100000210206 [0,1,1,0,0,0|2,0,0]=4 1803 B7R0.4 COCCNC(C)C 2230a_100138425928_100011201679 [0,1,1,0,0,0|2,0,0]=4 1804 B7R0.4 COCCNC(C)C 34a_100000224655_200000210301 [0,1,1,0,0,0|2,0,0]=4 1805 B7R0.4 COCCNC(C)C 34a_100138425928_100011201679 [0,1,1,0,0,0|2,0,0]=4 1806 B7R0.4 COCCOC(C)C 34a_100000210237_100000210206 [0,1,1,0,0,0|2,0,0]=4 1807 B7R0.4 COCCOC(C)C 34a_100000211219_200000210301 [0,1,1,0,0,0|2,0,0]=4 1808 B7R0.4 COCCOC(C)C 34a_100000212225_100011201679 [0,1,1,0,0,0|2,0,0]=4 1809 B7R0.4 COCCOC(C)C 34a_100138415774_100000211751 [0,1,1,0,0,0|2,0,0]=4 1810 B7R0.4 COCCOC(C)C 7a_100000211219_200000210301 [0,1,1,0,0,0|2,0,0]=4 1811 B7R0.4 COCCSC(C)C 34a_100138415774_100000730970 [0,1,1,0,0,0|2,0,0]=4 1812 B7R0.4 COCCSC(C)C 34a_200011212901_200000210301 [0,1,1,0,0,0|2,0,0]=4 1813 B7R0.4 COCCSC(C)C 62a_100000210206_100000233755 [0,1,1,0,0,0|2,0,0]=4 1814 B7R0.4 COCCSC(C)C 62a_100000233755_100000210206 [0,1,1,0,0,0|2,0,0]=4 1815 B7R0.4 COCCSC(C)C 7a_200011212901_200000210301 [0,1,1,0,0,0|2,0,0]=4 1816 B7R0.4 COCNCC(C)C 2230a_100000210953_100000766300 [0,1,1,0,0,0|2,0,0]=4 1817 B7R0.4 COCNCC(C)O 2230a_100000210904_100000766300 [0,1,1,0,0,0|1,0,0]=3 1818 B7R0.4 COCSCC(C)C 62a_100000210624_100000766300 [0,1,1,0,0,0|2,0,0]=4 1819 B7R0.4 COCSCC(C)C 62a_100000766300_100000210760 [0,1,1,0,0,0|2,0,0]=4 1820 B7R0.4 COCSCC(C)O 62a_100000766300_100011218427 [0,1,1,0,0,0|1,0,0]=3 1821 B7R0.4 COCSCC(C)O 62a_100011218427_100000766300 [0,1,1,0,0,0|1,0,0]=3 1822 B7R0.4 COCSC[C@@H](C)O 62a_100000766300_100009817552 [0,1,1,0,0,0|1,0,0]=3 1823 B7R0.4 COCSC[C@@H](C)O 62a_100009817552_100000766300 [0,1,1,0,0,0|1,0,0]=3 1824 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [0,1,1,0,0,0|1,0,1]=4 1825 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [0,1,1,0,0,0|0,0,2]=4 1826 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [0,1,1,0,0,0|0,0,2]=4 1827 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [0,1,1,0,0,0|0,0,2]=4 1828 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [0,1,1,0,0,0|0,0,2]=4 1829 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [0,1,1,0,0,0|1,0,0]=3 1830 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [0,1,1,0,0,0|1,0,0]=3 1831 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [0,1,1,0,0,0|0,0,0]=2 1832 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [0,1,1,0,0,0|0,0,0]=2 1833 B7R0.4 CSCCCN(C)C 62a_200000210301_100000757444 [0,1,1,0,0,0|2,0,0]=4 1834 B7R0.4 CSCCNC(C)C 2230a_100020590264_100000210206 [0,1,1,0,0,0|2,0,0]=4 1835 B7R0.4 CSCCNC(C)C 2230a_100138425928_100000751147 [0,1,1,0,0,0|2,0,0]=4 1836 B7R0.4 CSCCNC(C)C 34a_100138425928_100000212216 [0,1,1,0,0,0|2,0,0]=4 1837 B7R0.4 CSCCOC(C)C 34a_100000212225_100000212216 [0,1,1,0,0,0|2,0,0]=4 1838 B7R0.4 CSCCOC(C)C 34a_100000230434_100000210206 [0,1,1,0,0,0|2,0,0]=4 1839 B7R0.4 CSCCOC(C)C 62a_100000211751_200000210301 [0,1,1,0,0,0|2,0,0]=4 1840 B7R0.4 CSCCOC(C)C 62a_200000210301_100000211751 [0,1,1,0,0,0|2,0,0]=4 1841 B7R0.4 CSCCOC(C)C 7a_100000230434_100000210206 [0,1,1,0,0,0|2,0,0]=4 1842 B7R0.4 CSCCSC(C)C 62a_100000210206_100000751147 [0,1,1,0,0,0|2,0,0]=4 1843 B7R0.4 CSCCSC(C)C 62a_100000212216_100000210206 [0,1,1,0,0,0|2,0,0]=4 1844 B7R0.4 CSCCSC(C)C 62a_100000730970_200000210301 [0,1,1,0,0,0|2,0,0]=4 1845 B7R0.4 CSCCSC(C)C 62a_200000210301_100000730970 [0,1,1,0,0,0|2,0,0]=4 1846 B7R0.4 CSCNCC(C)C 2230a_100000210953_100011218213 [0,1,1,0,0,0|2,0,0]=4 1847 B7R0.4 CSCNCC(C)C 34a_100000210953_100011218213 [0,1,1,0,0,0|2,0,0]=4 1848 B7R0.4 CSCNCC(C)O 2230a_100000210904_100011218213 [0,1,1,0,0,0|1,0,0]=3 1849 B7R0.4 CSCNCC(C)O 34a_100000210904_100011218213 [0,1,1,0,0,0|1,0,0]=3 1850 B7R0.4 CSCOCC(C)Br 34a_100012180447_100011218213 [0,1,1,0,0,0|2,0,0]=4 1851 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [0,1,1,0,0,0|2,0,0]=4 1852 B7R0.4 CSCOCC(C)F 34a_100015925927_100011218213 [0,1,1,0,0,0|2,0,0]=4 1853 B7R0.4 CSCOC[C@@H](C)Cl 34a_100016084084_100011218213 [0,1,1,0,0,0|2,0,0]=4 1854 B7R0.4 CSCOC[C@@H](C)N 34a_100000737577_100011218213 [0,1,1,0,0,0|2,0,0]=4 1855 B7R0.4 CSCSCC(C)C 62a_100000210624_100011218213 [0,1,1,0,0,0|2,0,0]=4 1856 B7R0.4 CSCSCC(C)C 62a_100011218213_100000210760 [0,1,1,0,0,0|2,0,0]=4 1857 B7R0.4 CSCSCC(C)O 62a_100011218213_100011218427 [0,1,1,0,0,0|1,0,0]=3 1858 B7R0.4 CSCSCC(C)O 62a_100011218427_100011218213 [0,1,1,0,0,0|1,0,0]=3 1859 B7R0.4 CSCSC[C@@H](C)O 62a_100009817552_100011218213 [0,1,1,0,0,0|1,0,0]=3 1860 B7R0.4 CSCSC[C@@H](C)O 62a_100011218213_100009817552 [0,1,1,0,0,0|1,0,0]=3 1861 B7R0.4 C[C@@H](Cl)COCCF 34a_100016084084_100011217306 [0,1,1,0,0,0|2,0,0]=4 1862 B7R0.4 C[C@@H](Cl)COCCO 34a_100016084084_100000211926 [0,1,1,0,0,0|2,0,0]=4 1863 B7R0.4 C[C@@H](N)CCOCF 34a_100000706166_100015361967 [0,1,1,0,0,0|2,0,0]=4 1864 B7R0.4 C[C@@H](N)COCCF 34a_100000737577_100011217306 [0,1,1,0,0,0|2,0,0]=4 1865 B7R0.4 C[C@@H](N)COCCO 34a_100000737577_100000211926 [0,1,1,0,0,0|2,0,0]=4 1866 B7R0.4 C[C@@H](O)CNCCF 34a_100000724931_100009817552 [0,1,1,0,0,0|1,0,0]=3 1867 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [0,1,1,0,0,0|1,0,0]=3 1868 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [0,1,1,0,0,0|1,0,0]=3 1869 B7R0.4 C[C@@H](O)COCCBr 34a_100000211926_100009817552 [0,1,1,0,0,0|1,0,0]=3 1870 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [0,1,1,0,0,0|1,0,0]=3 1871 B7R0.4 C[C@@H](O)CSCC#N 62a_100009817552_100011215382 [0,1,1,0,0,0|1,0,1]=4 1872 B7R0.4 C[C@@H](O)CSCC#N 62a_100011215382_100009817552 [0,1,1,0,0,0|1,0,1]=4 1873 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [0,1,1,0,0,0|1,0,1]=4 1874 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [0,1,1,0,0,0|1,0,1]=4 1875 B7R0.4 C[C@@H](O)CSCCF 62a_100009817552_100011217306 [0,1,1,0,0,0|1,0,0]=3 1876 B7R0.4 C[C@@H](O)CSCCF 62a_100011217306_100009817552 [0,1,1,0,0,0|1,0,0]=3 1877 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [0,1,1,0,0,0|1,0,0]=3 1878 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [0,1,1,0,0,0|1,0,0]=3 1879 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [0,1,1,0,0,0|0,0,2]=4 1880 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,1,1,0,0,0|0,0,2]=4 1881 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,1,1,0,0,0|0,0,2]=4 1882 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,1,1,0,0,0|0,0,1]=3 1883 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [0,1,1,0,0,0|1,0,1]=4 1884 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [0,1,1,0,0,0|1,0,1]=4 1885 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [0,1,1,0,0,0|1,0,1]=4 1886 B7R0.6 CC(Br)COC(C)C 34a_100012180447_100000210206 [0,1,1,0,0,0|2,0,0]=4 1887 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,1,1,0,0,0|0,0,2]=4 1888 B7R0.6 CC(C)CCN(C)C 2230a_100000742789_200000210301 [0,1,1,0,0,0|2,0,0]=4 1889 B7R0.6 CC(C)CCN(C)C 2230a_100102631434_100000210312 [0,1,1,0,0,0|2,0,0]=4 1890 B7R0.6 CC(C)CCN(C)C 269982a_100000742789_200000210301 [0,1,1,0,0,0|2,0,0]=4 1891 B7R0.6 CC(C)CCN(C)C 269982a_100102631434_100000210312 [0,1,1,0,0,0|2,0,0]=4 1892 B7R0.6 CC(C)CCN(C)[13CH3] 2230a_100000742789_200025704644 [0,1,1,0,0,0|2,0,0]=4 1893 B7R0.6 CC(C)CCN(C)[13CH3] 269982a_100000742789_200025704644 [0,1,1,0,0,0|2,0,0]=4 1894 B7R0.6 CC(C)CNC(C)C 2230a_100000210953_100000210206 [0,1,1,0,0,0|2,0,0]=4 1895 B7R0.6 CC(C)CNC(C)C 2230a_100138425928_100000210760 [0,1,1,0,0,0|2,0,0]=4 1896 B7R0.6 CC(C)CNC(C)C 34a_100000210953_100000210206 [0,1,1,0,0,0|2,0,0]=4 1897 B7R0.6 CC(C)CNC(C)C 34a_100138425928_100000210624 [0,1,1,0,0,0|2,0,0]=4 1898 B7R0.6 CC(C)COC(C)C 34a_100000210257_100000210206 [0,1,1,0,0,0|2,0,0]=4 1899 B7R0.6 CC(C)COC(C)C 34a_100000212225_100000210624 [0,1,1,0,0,0|2,0,0]=4 1900 B7R0.6 CC(C)CSC(C)C 62a_100000210206_100000210760 [0,1,1,0,0,0|2,0,0]=4 1901 B7R0.6 CC(C)CSC(C)C 62a_100000210624_100000210206 [0,1,1,0,0,0|2,0,0]=4 1902 B7R0.6 CC(C)NC[C@@H](C)O 2230a_100138425928_100009817552 [0,1,1,0,0,0|1,0,0]=3 1903 B7R0.6 CC(C)NC[C@@H](C)O 34a_100138425928_100009817552 [0,1,1,0,0,0|1,0,0]=3 1904 B7R0.6 CC(C)OC[C@@H](C)Cl 34a_100016084084_100000210206 [0,1,1,0,0,0|2,0,0]=4 1905 B7R0.6 CC(C)OC[C@@H](C)N 34a_100000737577_100000210206 [0,1,1,0,0,0|2,0,0]=4 1906 B7R0.6 CC(C)OC[C@@H](C)O 34a_100000212225_100009817552 [0,1,1,0,0,0|1,0,0]=3 1907 B7R0.6 CC(C)SC[C@@H](C)O 62a_100000210206_100009817552 [0,1,1,0,0,0|1,0,0]=3 1908 B7R0.6 CC(C)SC[C@@H](C)O 62a_100009817552_100000210206 [0,1,1,0,0,0|1,0,0]=3 1909 B7R0.6 CC(F)COC(C)C 34a_100015925927_100000210206 [0,1,1,0,0,0|2,0,0]=4 1910 B7R0.6 CC(O)CCN(C)C 2230a_100102631434_100012276601 [0,1,1,0,0,0|1,0,0]=3 1911 B7R0.6 CC(O)CCN(C)C 269982a_100102631434_100012276601 [0,1,1,0,0,0|1,0,0]=3 1912 B7R0.6 CC(O)CNC(C)C 2230a_100000210904_100000210206 [0,1,1,0,0,0|1,0,0]=3 1913 B7R0.6 CC(O)CNC(C)C 2230a_100138425928_100011218427 [0,1,1,0,0,0|1,0,0]=3 1914 B7R0.6 CC(O)CNC(C)C 34a_100000210904_100000210206 [0,1,1,0,0,0|1,0,0]=3 1915 B7R0.6 CC(O)CNC(C)C 34a_100138425928_100011218427 [0,1,1,0,0,0|1,0,0]=3 1916 B7R0.6 CC(O)COC(C)C 34a_100000212225_100011218427 [0,1,1,0,0,0|1,0,0]=3 1917 B7R0.6 CC(O)CSC(C)C 62a_100000210206_100011218427 [0,1,1,0,0,0|1,0,0]=3 1918 B7R0.6 CC(O)CSC(C)C 62a_100011218427_100000210206 [0,1,1,0,0,0|1,0,0]=3 1919 B7R0.8 CC(C)(C)CCN[13CH3] 2230a_100000738805_200025704644 [0,1,1,0,0,0|2,0,0]=4 1920 B7R0.8 CC(C)(C)CCO[13CH3] 7a_100000765024_200025704644 [0,1,1,0,0,0|2,0,0]=4 1921 B7R0.8 CC(C)(C)CCS[13CH3] 62a_100000755188_200025704644 [0,1,1,0,0,0|2,0,0]=4 1922 B7R0.8 CC(C)(C)CCS[13CH3] 62a_200025704644_100000755188 [0,1,1,0,0,0|2,0,0]=4 1923 B7R0.8 CC(C)(F)CCN[13CH3] 2230a_100016253952_200025704644 [0,1,1,0,0,0|2,0,0]=4 1924 B7R0.8 CC(C)(O)CCS[13CH3] 62a_100000702414_200025704644 [0,1,1,0,0,0|1,0,0]=3 1925 B7R0.8 CC(C)(O)CCS[13CH3] 62a_200025704644_100000702414 [0,1,1,0,0,0|1,0,0]=3 1926 B7R0.8 CC(C)(O)CSCF 62a_100000764493_100015361967 [0,1,1,0,0,0|2,0,0]=4 1927 B7R0.8 CC(C)(O)CSCF 62a_100015361967_100000764493 [0,1,1,0,0,0|2,0,0]=4 1928 B7R0.8 CCCNC(C)(C)C 2230a_100000715429_100000210303 [0,1,1,0,0,0|2,0,0]=4 1929 B7R0.8 CCCOC(C)(C)C 34a_100000210258_100000210625 [0,1,1,0,0,0|2,0,0]=4 1930 B7R0.8 CCCOC(C)(C)C 34a_100015890283_100000210303 [0,1,1,0,0,0|2,0,0]=4 1931 B7R0.8 CCCOC(C)(C)C 7a_100015890283_100000210303 [0,1,1,0,0,0|2,0,0]=4 1932 B7R0.8 CCCSC(C)(C)C 62a_100000210303_100000211941 [0,1,1,0,0,0|2,0,0]=4 1933 B7R0.8 CCCSC(C)(C)C 62a_100000211941_100000210303 [0,1,1,0,0,0|2,0,0]=4 1934 B7R0.8 CCNCC(C)(C)C 2230a_100000743828_100000210202 [0,1,1,0,0,0|2,0,0]=4 1935 B7R0.8 CCNCC(C)(C)C 270004a_100015525214_100011204126 [0,1,1,0,0,0|2,0,0]=4 1936 B7R0.8 CCNCC(C)(C)F 2230a_100020643315_100000210202 [0,1,1,0,0,0|2,0,0]=4 1937 B7R0.8 CCNCC(C)(C)O 2230a_100000751335_100000210202 [0,1,1,0,0,0|1,0,0]=3 1938 B7R0.8 CCOCC(C)(C)C 34a_100121572206_100011219605 [0,1,1,0,0,0|2,0,0]=4 1939 B7R0.8 CCOCC(C)(C)F 34a_100000716592_100000210202 [0,1,1,0,0,0|2,0,0]=4 1940 B7R0.8 CCOCC(C)(C)F 34a_100121572206_100011997219 [0,1,1,0,0,0|2,0,0]=4 1941 B7R0.8 CCOCC(C)(C)O 34a_100121572206_100000764493 [0,1,1,0,0,0|1,0,0]=3 1942 B7R0.8 CCOCC(C)(F)F 34a_100000068830_100000210202 [0,1,1,0,0,0|2,0,0]=4 1943 B7R0.8 CCSCC(C)(C)C 62a_100000210202_100011219605 [0,1,1,0,0,0|2,0,0]=4 1944 B7R0.8 CCSCC(C)(C)C 62a_100011219605_100000210202 [0,1,1,0,0,0|2,0,0]=4 1945 B7R0.8 CCSCC(C)(C)F 62a_100000210202_100011997219 [0,1,1,0,0,0|2,0,0]=4 1946 B7R0.8 CCSCC(C)(C)F 62a_100011997219_100000210202 [0,1,1,0,0,0|2,0,0]=4 1947 B7R0.8 CCSCC(C)(C)O 62a_100000210202_100000764493 [0,1,1,0,0,0|1,0,0]=3 1948 B7R0.8 CCSCC(C)(C)O 62a_100000764493_100000210202 [0,1,1,0,0,0|1,0,0]=3 1949 B7R0.8 CNCCC(C)(C)C 2230a_100000738805_200000210301 [0,1,1,0,0,0|2,0,0]=4 1950 B7R0.8 CNCCC(C)(C)C 2230a_106832991635_100000755188 [0,1,1,0,0,0|2,0,0]=4 1951 B7R0.8 CNCCC(C)(C)C 34a_100102657272_100000755188 [0,1,1,0,0,0|2,0,0]=4 1952 B7R0.8 CNCCC(C)(C)C 7a_106832991635_100000755188 [0,1,1,0,0,0|2,0,0]=4 1953 B7R0.8 CNCCC(C)(C)F 2230a_100016253952_200000210301 [0,1,1,0,0,0|2,0,0]=4 1954 B7R0.8 CNCCC(C)(C)O 2230a_106832991635_100000702414 [0,1,1,0,0,0|1,0,0]=3 1955 B7R0.8 CNCCC(C)(C)O 34a_100102657272_100000702414 [0,1,1,0,0,0|1,0,0]=3 1956 B7R0.8 CNCCC(C)(C)O 7a_106832991635_100000702414 [0,1,1,0,0,0|1,0,0]=3 1957 B7R0.8 COCCC(C)(C)C 34a_100138415774_100000755188 [0,1,1,0,0,0|2,0,0]=4 1958 B7R0.8 COCCC(C)(C)C 7a_100000765024_200000210301 [0,1,1,0,0,0|2,0,0]=4 1959 B7R0.8 COCCC(C)(C)O 34a_100138415774_100000702414 [0,1,1,0,0,0|1,0,0]=3 1960 B7R0.8 CSCCC(C)(C)C 62a_100000755188_200000210301 [0,1,1,0,0,0|2,0,0]=4 1961 B7R0.8 CSCCC(C)(C)C 62a_200000210301_100000755188 [0,1,1,0,0,0|2,0,0]=4 1962 B7R0.8 CSCCC(C)(C)O 62a_100000702414_200000210301 [0,1,1,0,0,0|1,0,0]=3 1963 B7R0.8 CSCCC(C)(C)O 62a_200000210301_100000702414 [0,1,1,0,0,0|1,0,0]=3 1964 B7R0.1 C#CCCCCNC 2230a_100000706060_200000210301 [0,1,1,0,0,0|1,0,1]=4 1965 B7R0.1 C#CCCCCNC 2230a_106832991635_100010269958 [0,1,1,0,0,0|1,0,1]=4 1966 B7R0.1 C#CCCCCNC 34a_100000706060_200000210301 [0,1,1,0,0,0|1,0,1]=4 1967 B7R0.1 C#CCCCCNC 34a_100102657272_100010269958 [0,1,1,0,0,0|1,0,1]=4 1968 B7R0.1 C#CCCCCNC 7a_106832991635_100010269958 [0,1,1,0,0,0|1,0,1]=4 1969 B7R0.1 C#CCCCCN[13CH3] 2230a_100000706060_200025704644 [0,1,1,0,0,0|1,0,1]=4 1970 B7R0.1 C#CCCCCN[13CH3] 34a_100000706060_200025704644 [0,1,1,0,0,0|1,0,1]=4 1971 B7R0.1 C#CCCCCOC 34a_100000766709_200000210301 [0,1,1,0,0,0|0,0,2]=4 1972 B7R0.1 C#CCCCCOC 34a_100138415774_100010269958 [0,1,1,0,0,0|0,0,2]=4 1973 B7R0.1 C#CCCCCOC 7a_100000766709_200000210301 [0,1,1,0,0,0|0,0,2]=4 1974 B7R0.1 C#CCCCCO[13CH3] 34a_100000766709_200025704644 [0,1,1,0,0,0|0,0,2]=4 1975 B7R0.1 C#CCCCCO[13CH3] 7a_100000766709_200025704644 [0,1,1,0,0,0|0,0,2]=4 1976 B7R0.1 C#CCCCCSC 62a_100010269958_200000210301 [0,1,1,0,0,0|1,0,1]=4 1977 B7R0.1 C#CCCCCSC 62a_200000210301_100010269958 [0,1,1,0,0,0|1,0,1]=4 1978 B7R0.1 C#CCCCCS[13CH3] 62a_100010269958_200025704644 [0,1,1,0,0,0|1,0,1]=4 1979 B7R0.1 C#CCCCCS[13CH3] 62a_200025704644_100010269958 [0,1,1,0,0,0|1,0,1]=4 1980 B7R0.1 C#CCCCNCC 2230a_100015525214_100000731252 [0,1,1,0,0,0|1,0,1]=4 1981 B7R0.1 C#CCCCNCC 34a_100000718082_100000210202 [0,1,1,0,0,0|1,0,1]=4 1982 B7R0.1 C#CCCCOCC 34a_100000215630_100000210202 [0,1,1,0,0,0|1,0,1]=4 1983 B7R0.1 C#CCCCOCC 34a_100121572206_100000695029 [0,1,1,0,0,0|1,0,1]=4 1984 B7R0.1 C#CCCCOCC 7a_100000215630_100000210202 [0,1,1,0,0,0|1,0,1]=4 1985 B7R0.1 C#CCCCSCC 62a_100000210202_100011215417 [0,1,1,0,0,0|1,0,1]=4 1986 B7R0.1 C#CCCCSCC 62a_100011215417_100000210202 [0,1,1,0,0,0|1,0,1]=4 1987 B7R0.1 C#CCCNCCC 34a_100000755551_100000210303 [0,1,1,0,0,0|1,0,1]=4 1988 B7R0.1 C#CCCNCCO 2230a_100016997473_100000688953 [0,1,1,0,0,0|0,0,2]=4 1989 B7R0.1 C#CCCNCCO 34a_100000755551_100000211926 [0,1,1,0,0,0|0,0,2]=4 1990 B7R0.1 C#CCCNCCO 34a_100016990907_100000688953 [0,1,1,0,0,0|0,0,2]=4 1991 B7R0.1 C#CCCOCCC 34a_100000210258_100000688953 [0,1,1,0,0,0|1,0,1]=4 1992 B7R0.1 C#CCCOCCC 34a_100011215631_100000210303 [0,1,1,0,0,0|1,0,1]=4 1993 B7R0.1 C#CCCOCCO 34a_100011215631_100000211926 [0,1,1,0,0,0|0,0,2]=4 1994 B7R0.1 C#CCCSCCC 62a_100000210303_100000688953 [0,1,1,0,0,0|1,0,1]=4 1995 B7R0.1 C#CCCSCCC 62a_100000688953_100000210303 [0,1,1,0,0,0|1,0,1]=4 1996 B7R0.1 C#CCCSCCO 62a_100000211926_100000688953 [0,1,1,0,0,0|0,0,2]=4 1997 B7R0.1 C#CCCSCCO 62a_100000688953_100000211926 [0,1,1,0,0,0|0,0,2]=4 1998 B7R0.1 C#CCNCCCC 2230a_100000102301_100000038162 [0,1,1,0,0,0|1,0,1]=4 1999 B7R0.1 C#CCNCCCC 34a_100000212058_100000210210 [0,1,1,0,0,0|1,0,1]=4 2000 B7R0.1 C#CCNCCCC 7a_106832991798_100000038162 [0,1,1,0,0,0|1,0,1]=4 2001 B7R0.1 C#CCNCCCO 34a_100000212058_100000230001 [0,1,1,0,0,0|0,0,2]=4 2002 B7R0.1 C#CCOCCCC 34a_100000210227_100000184674 [0,1,1,0,0,0|1,0,1]=4 2003 B7R0.1 C#CCOCCCC 34a_100000210247_100000210210 [0,1,1,0,0,0|1,0,1]=4 2004 B7R0.1 C#CCOCCCC 7a_100000210227_100000038162 [0,1,1,0,0,0|1,0,1]=4 2005 B7R0.1 C#CCOCCCO 34a_100000210247_100000230001 [0,1,1,0,0,0|0,0,2]=4 2006 B7R0.1 C#CCSCCCC 62a_100000038162_100000210210 [0,1,1,0,0,0|1,0,1]=4 2007 B7R0.1 C#CCSCCCO 62a_100000038162_100011215043 [0,1,1,0,0,0|0,0,2]=4 2008 B7R0.1 C/C=C/CNCCO 34a_100016990907_100102629194 [0,1,1,0,0,0|0,0,2]=4 2009 B7R0.1 C/C=C/COCCO 34a_100016270725_100000211926 [0,1,1,0,0,0|0,0,2]=4 2010 B7R0.1 C/C=C/CSCCO 62a_100000211926_100102629194 [0,1,1,0,0,0|0,0,2]=4 2011 B7R0.1 C/C=C/CSCCO 62a_100102629194_100000211926 [0,1,1,0,0,0|0,0,2]=4 2012 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [0,1,1,0,0,0|1,0,1]=4 2013 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [0,1,1,0,0,0|1,0,1]=4 2014 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [0,1,1,0,0,0|1,0,1]=4 2015 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [0,1,1,0,0,0|1,0,1]=4 2016 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [0,1,1,0,0,0|1,0,1]=4 2017 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [0,1,1,0,0,0|1,0,1]=4 2018 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [0,1,1,0,0,0|1,0,1]=4 2019 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [0,1,1,0,0,0|0,0,2]=4 2020 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [0,1,1,0,0,0|0,0,2]=4 2021 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [0,1,1,0,0,0|0,0,2]=4 2022 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [0,1,1,0,0,0|0,0,2]=4 2023 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [0,1,1,0,0,0|0,0,2]=4 2024 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [0,1,1,0,0,0|1,0,1]=4 2025 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [0,1,1,0,0,0|1,0,1]=4 2026 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [0,1,1,0,0,0|1,0,1]=4 2027 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [0,1,1,0,0,0|1,0,1]=4 2028 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [0,1,1,0,0,0|1,0,1]=4 2029 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [0,1,1,0,0,0|1,0,1]=4 2030 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [0,1,1,0,0,0|1,0,1]=4 2031 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [0,1,1,0,0,0|1,0,1]=4 2032 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [0,1,1,0,0,0|1,0,1]=4 2033 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [0,1,1,0,0,0|1,0,1]=4 2034 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [0,1,1,0,0,0|1,0,1]=4 2035 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [0,1,1,0,0,0|1,0,1]=4 2036 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [0,1,1,0,0,0|1,0,1]=4 2037 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [0,1,1,0,0,0|0,0,2]=4 2038 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [0,1,1,0,0,0|0,0,2]=4 2039 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [0,1,1,0,0,0|0,0,2]=4 2040 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [0,1,1,0,0,0|1,0,1]=4 2041 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [0,1,1,0,0,0|1,0,1]=4 2042 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [0,1,1,0,0,0|0,0,2]=4 2043 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [0,1,1,0,0,0|1,0,1]=4 2044 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [0,1,1,0,0,0|1,0,1]=4 2045 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [0,1,1,0,0,0|0,0,2]=4 2046 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [0,1,1,0,0,0|0,0,2]=4 2047 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [0,1,1,0,0,0|1,0,1]=4 2048 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [0,1,1,0,0,0|1,0,1]=4 2049 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [0,1,1,0,0,0|1,0,1]=4 2050 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [0,1,1,0,0,0|0,0,2]=4 2051 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [0,1,1,0,0,0|1,0,1]=4 2052 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [0,1,1,0,0,0|1,0,1]=4 2053 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [0,1,1,0,0,0|1,0,1]=4 2054 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [0,1,1,0,0,0|0,0,2]=4 2055 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [0,1,1,0,0,0|1,0,1]=4 2056 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [0,1,1,0,0,0|1,0,1]=4 2057 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [0,1,1,0,0,0|0,0,2]=4 2058 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [0,1,1,0,0,0|0,0,2]=4 2059 B7R0.1 CC#CCNCCO 2230a_100000685387_100000211926 [0,1,1,0,0,0|0,0,2]=4 2060 B7R0.1 CC#CCNCCO 2230a_100016997473_100000748600 [0,1,1,0,0,0|0,0,2]=4 2061 B7R0.1 CC#CCNCCO 34a_100000685387_100000211926 [0,1,1,0,0,0|0,0,2]=4 2062 B7R0.1 CC#CCNCCO 34a_100016990907_100000748600 [0,1,1,0,0,0|0,0,2]=4 2063 B7R0.1 CC#CCOCCO 34a_100000761923_100000211926 [0,1,1,0,0,0|0,0,2]=4 2064 B7R0.1 CC#CCSCCO 62a_100000211926_100000748600 [0,1,1,0,0,0|0,0,2]=4 2065 B7R0.1 CC#CCSCCO 62a_100000748600_100000211926 [0,1,1,0,0,0|0,0,2]=4 2066 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [0,1,1,0,0,0|0,0,2]=4 2067 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [0,1,1,0,0,0|0,0,2]=4 2068 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [0,1,1,0,0,0|0,0,2]=4 2069 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [0,1,1,0,0,0|0,0,2]=4 2070 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [0,1,1,0,0,0|0,0,2]=4 2071 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [0,1,1,0,0,0|0,0,2]=4 2072 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [0,1,1,0,0,0|0,0,2]=4 2073 B7R0.1 CC=CCNCCO 2230a_100016997473_100000070051 [0,1,1,0,0,0|0,0,2]=4 2074 B7R0.1 CC=CCNCCO 34a_100016990907_100000070051 [0,1,1,0,0,0|0,0,2]=4 2075 B7R0.1 CC=CCSCCO 62a_100000070051_100000211926 [0,1,1,0,0,0|0,0,2]=4 2076 B7R0.1 CC=CCSCCO 62a_100000211926_100000070051 [0,1,1,0,0,0|0,0,2]=4 2077 B7R0.1 CCC#CCCOC 34a_100000036655_200000210301 [0,1,1,0,0,0|0,0,2]=4 2078 B7R0.1 CCC#CCCOC 7a_100000036655_200000210301 [0,1,1,0,0,0|0,0,2]=4 2079 B7R0.1 CCC#CCCO[13CH3] 34a_100000036655_200025704644 [0,1,1,0,0,0|0,0,2]=4 2080 B7R0.1 CCC#CCCO[13CH3] 7a_100000036655_200025704644 [0,1,1,0,0,0|0,0,2]=4 2081 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [0,1,1,0,0,0|0,0,2]=4 2082 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [0,1,1,0,0,0|0,0,2]=4 2083 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [0,1,1,0,0,0|0,0,2]=4 2084 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [0,1,1,0,0,0|0,0,2]=4 2085 B7R0.1 CCC=NNCCO 4a_100000210001_100000210100 [0,1,1,0,0,0|1,0,1]=4 2086 B7R0.1 CCCC#CCOC 34a_100000034806_200000210301 [0,1,1,0,0,0|0,0,2]=4 2087 B7R0.1 CCCC#CCOC 7a_100000034806_200000210301 [0,1,1,0,0,0|0,0,2]=4 2088 B7R0.1 CCCC#CCO[13CH3] 34a_100000034806_200025704644 [0,1,1,0,0,0|0,0,2]=4 2089 B7R0.1 CCCC#CCO[13CH3] 7a_100000034806_200025704644 [0,1,1,0,0,0|0,0,2]=4 2090 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [0,1,1,0,0,0|1,0,0]=3 2091 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [0,1,1,0,0,0|1,0,0]=3 2092 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [0,1,1,0,0,0|1,0,0]=3 2093 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [0,1,1,0,0,0|1,0,0]=3 2094 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [0,1,1,0,0,0|1,0,0]=3 2095 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [0,1,1,0,0,0|0,0,0]=2 2096 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [0,1,1,0,0,0|0,0,0]=2 2097 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [0,1,1,0,0,0|0,0,0]=2 2098 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [0,1,1,0,0,0|0,0,0]=2 2099 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [0,1,1,0,0,0|0,0,0]=2 2100 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [0,1,1,0,0,0|0,1,0]=3 2101 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [0,1,1,0,0,0|0,1,0]=3 2102 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [0,1,1,0,0,0|0,1,0]=3 2103 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [0,1,1,0,0,0|0,1,0]=3 2104 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [0,1,1,0,0,0|1,0,0]=3 2105 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [0,1,1,0,0,0|1,0,0]=3 2106 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [0,1,1,0,0,0|1,0,0]=3 2107 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [0,1,1,0,0,0|1,0,0]=3 2108 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [0,1,1,0,0,0|1,0,0]=3 2109 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [0,1,1,0,0,0|1,0,0]=3 2110 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [0,1,1,0,0,0|1,0,0]=3 2111 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [0,1,1,0,0,0|1,0,0]=3 2112 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [0,1,1,0,0,0|1,0,0]=3 2113 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [0,1,1,0,0,0|1,0,0]=3 2114 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [0,1,1,0,0,0|1,0,0]=3 2115 B7R0.1 CCCCNCC#N 2230a_100000102301_100011215382 [0,1,1,0,0,0|1,0,1]=4 2116 B7R0.1 CCCCNCC#N 7a_106832991798_100011215382 [0,1,1,0,0,0|1,0,1]=4 2117 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [0,1,1,0,0,0|0,0,2]=4 2118 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [0,1,1,0,0,0|0,0,2]=4 2119 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [0,1,1,0,0,0|1,0,0]=3 2120 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [0,1,1,0,0,0|1,0,0]=3 2121 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [0,1,1,0,0,0|1,0,0]=3 2122 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [0,1,1,0,0,0|1,0,0]=3 2123 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [0,1,1,0,0,0|1,0,0]=3 2124 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [0,1,1,0,0,0|0,0,0]=2 2125 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [0,1,1,0,0,0|0,0,0]=2 2126 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [0,1,1,0,0,0|0,0,0]=2 2127 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [0,1,1,0,0,0|0,0,0]=2 2128 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [0,1,1,0,0,0|1,0,0]=3 2129 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [0,1,1,0,0,0|1,1,0]=4 2130 B7R0.1 CCCCOCC#N 7a_100000210227_100011215382 [0,1,1,0,0,0|1,0,1]=4 2131 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [0,1,1,0,0,0|0,0,2]=4 2132 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [0,1,1,0,0,0|0,0,2]=4 2133 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [0,1,1,0,0,0|1,0,0]=3 2134 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [0,1,1,0,0,0|1,0,0]=3 2135 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [0,1,1,0,0,0|1,0,0]=3 2136 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [0,1,1,0,0,0|1,0,0]=3 2137 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [0,1,1,0,0,0|1,0,0]=3 2138 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [0,1,1,0,0,0|1,0,0]=3 2139 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [0,1,1,0,0,0|1,0,0]=3 2140 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [0,1,1,0,0,0|0,0,0]=2 2141 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [0,1,1,0,0,0|0,0,0]=2 2142 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [0,1,1,0,0,0|2,0,0]=4 2143 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [0,1,1,0,0,0|2,0,0]=4 2144 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [0,1,1,0,0,0|1,0,0]=3 2145 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [0,1,1,0,0,0|1,1,0]=4 2146 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [0,1,1,0,0,0|1,1,0]=4 2147 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [0,1,1,0,0,0|1,1,0]=4 2148 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [0,1,1,0,0,0|1,1,0]=4 2149 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [0,1,1,0,0,0|1,1,0]=4 2150 B7R0.1 CCCCSCC#N 62a_100000210211_100011215382 [0,1,1,0,0,0|1,0,1]=4 2151 B7R0.1 CCCCSCC#N 62a_100011215382_100000210210 [0,1,1,0,0,0|1,0,1]=4 2152 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [0,1,1,0,0,0|0,0,2]=4 2153 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [0,1,1,0,0,0|0,0,2]=4 2154 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [0,1,1,0,0,0|1,0,0]=3 2155 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [0,1,1,0,0,0|1,0,0]=3 2156 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [0,1,1,0,0,0|1,0,0]=3 2157 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [0,1,1,0,0,0|1,0,0]=3 2158 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [0,1,1,0,0,0|0,0,0]=2 2159 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [0,1,1,0,0,0|0,0,0]=2 2160 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [0,1,1,0,0,0|1,0,0]=3 2161 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [0,1,1,0,0,0|1,0,0]=3 2162 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [0,1,1,0,0,0|1,1,0]=4 2163 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [0,1,1,0,0,0|1,1,0]=4 2164 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [0,1,1,0,0,0|1,0,0]=3 2165 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [0,1,1,0,0,0|1,0,0]=3 2166 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [0,1,1,0,0,0|1,0,0]=3 2167 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [0,1,1,0,0,0|1,1,0]=4 2168 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [0,1,1,0,0,0|1,0,0]=3 2169 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [0,1,1,0,0,0|1,0,0]=3 2170 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [0,1,1,0,0,0|1,0,0]=3 2171 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [0,1,1,0,0,0|1,0,0]=3 2172 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [0,1,1,0,0,0|1,0,0]=3 2173 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [0,1,1,0,0,0|0,0,0]=2 2174 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [0,1,1,0,0,0|2,0,0]=4 2175 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [0,1,1,0,0,0|2,0,0]=4 2176 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [0,1,1,0,0,0|2,0,0]=4 2177 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [0,1,1,0,0,0|2,0,0]=4 2178 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [0,1,1,0,0,0|2,0,0]=4 2179 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [0,1,1,0,0,0|2,0,0]=4 2180 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [0,1,1,0,0,0|2,0,0]=4 2181 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [0,1,1,0,0,0|1,0,0]=3 2182 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [0,1,1,0,0,0|1,0,0]=3 2183 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [0,1,1,0,0,0|1,0,0]=3 2184 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [0,1,1,0,0,0|1,0,0]=3 2185 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [0,1,1,0,0,0|1,0,0]=3 2186 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [0,1,1,0,0,0|1,0,0]=3 2187 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [0,1,1,0,0,0|1,0,0]=3 2188 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [0,1,1,0,0,0|1,0,0]=3 2189 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [0,1,1,0,0,0|1,1,0]=4 2190 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [0,1,1,0,0,0|1,1,0]=4 2191 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [0,1,1,0,0,0|1,1,0]=4 2192 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [0,1,1,0,0,0|1,1,0]=4 2193 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [0,1,1,0,0,0|1,1,0]=4 2194 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [0,1,1,0,0,0|1,1,0]=4 2195 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [0,1,1,0,0,0|1,1,0]=4 2196 B7R0.1 CCCSCCC#N 62a_100000210303_100011215226 [0,1,1,0,0,0|1,0,1]=4 2197 B7R0.1 CCCSCCC#N 62a_100011215226_100000210303 [0,1,1,0,0,0|1,0,1]=4 2198 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [0,1,1,0,0,0|1,0,0]=3 2199 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [0,1,1,0,0,0|1,0,0]=3 2200 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [0,1,1,0,0,0|0,0,0]=2 2201 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [0,1,1,0,0,0|0,0,0]=2 2202 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [0,1,1,0,0,0|2,0,0]=4 2203 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [0,1,1,0,0,0|2,0,0]=4 2204 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [0,1,1,0,0,0|1,0,0]=3 2205 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [0,1,1,0,0,0|1,0,0]=3 2206 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [0,1,1,0,0,0|1,0,0]=3 2207 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [0,1,1,0,0,0|1,0,0]=3 2208 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [0,1,1,0,0,0|1,0,0]=3 2209 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [0,1,1,0,0,0|1,0,0]=3 2210 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [0,1,1,0,0,0|1,1,0]=4 2211 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [0,1,1,0,0,0|1,1,0]=4 2212 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [0,1,1,0,0,0|2,0,0]=4 2213 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [0,1,1,0,0,0|2,0,0]=4 2214 B7R0.1 CCNCC#CCO 2230a_100015525214_200000047223 [0,1,1,0,0,0|0,0,2]=4 2215 B7R0.1 CCNCCCC#N 2230a_100015525214_100000687738 [0,1,1,0,0,0|1,0,1]=4 2216 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [0,1,1,0,0,0|0,0,2]=4 2217 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [0,1,1,0,0,0|1,0,0]=3 2218 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [0,1,1,0,0,0|0,0,0]=2 2219 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [0,1,1,0,0,0|0,0,0]=2 2220 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [0,1,1,0,0,0|0,0,0]=2 2221 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [0,1,1,0,0,0|1,0,0]=3 2222 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [0,1,1,0,0,0|1,0,0]=3 2223 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [0,1,1,0,0,0|1,1,0]=4 2224 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [0,1,1,0,0,0|2,0,0]=4 2225 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [0,1,1,0,0,0|2,0,0]=4 2226 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [0,1,1,0,0,0|2,0,0]=4 2227 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [0,1,1,0,0,0|2,0,0]=4 2228 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [0,1,1,0,0,0|2,0,0]=4 2229 B7R0.1 CCOCC#CCO 34a_100121572206_200000047223 [0,1,1,0,0,0|0,0,2]=4 2230 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [0,1,1,0,0,0|1,0,0]=3 2231 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [0,1,1,0,0,0|1,0,0]=3 2232 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [0,1,1,0,0,0|1,0,0]=3 2233 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [0,1,1,0,0,0|1,0,0]=3 2234 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [0,1,1,0,0,0|1,0,0]=3 2235 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [0,1,1,0,0,0|1,0,0]=3 2236 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [0,1,1,0,0,0|1,0,0]=3 2237 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [0,1,1,0,0,0|1,0,0]=3 2238 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [0,1,1,0,0,0|0,0,0]=2 2239 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [0,1,1,0,0,0|2,0,0]=4 2240 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [0,1,1,0,0,0|2,0,0]=4 2241 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [0,1,1,0,0,0|2,0,0]=4 2242 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [0,1,1,0,0,0|2,0,0]=4 2243 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [0,1,1,0,0,0|2,0,0]=4 2244 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [0,1,1,0,0,0|2,0,0]=4 2245 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [0,1,1,0,0,0|2,0,0]=4 2246 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [0,1,1,0,0,0|2,0,0]=4 2247 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [0,1,1,0,0,0|1,0,0]=3 2248 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [0,1,1,0,0,0|1,0,0]=3 2249 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [0,1,1,0,0,0|1,0,0]=3 2250 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [0,1,1,0,0,0|1,0,0]=3 2251 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [0,1,1,0,0,0|1,0,0]=3 2252 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [0,1,1,0,0,0|1,0,0]=3 2253 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [0,1,1,0,0,0|1,0,0]=3 2254 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [0,1,1,0,0,0|1,1,0]=4 2255 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [0,1,1,0,0,0|1,1,0]=4 2256 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [0,1,1,0,0,0|1,1,0]=4 2257 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [0,1,1,0,0,0|1,1,0]=4 2258 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [0,1,1,0,0,0|1,1,0]=4 2259 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [0,1,1,0,0,0|1,1,0]=4 2260 B7R0.1 CCOCCNCF 34a_102516460346_100015361967 [0,1,1,0,0,0|2,0,0]=4 2261 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [0,1,1,0,0,0|2,0,0]=4 2262 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [0,1,1,0,0,0|2,0,0]=4 2263 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [0,1,1,0,0,0|2,0,0]=4 2264 B7R0.1 CCOCCOCF 34a_100000210136_100015361967 [0,1,1,0,0,0|2,0,0]=4 2265 B7R0.1 CCOCCOCF 7a_100000210136_100015361967 [0,1,1,0,0,0|2,0,0]=4 2266 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [0,1,1,0,0,0|2,0,0]=4 2267 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [0,1,1,0,0,0|2,0,0]=4 2268 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [0,1,1,0,0,0|2,0,0]=4 2269 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [0,1,1,0,0,0|2,0,0]=4 2270 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [0,1,1,0,0,0|2,0,0]=4 2271 B7R0.1 CCOCCSCF 62a_100000210147_100015361967 [0,1,1,0,0,0|2,0,0]=4 2272 B7R0.1 CCOCCSCF 62a_100015361967_100011215890 [0,1,1,0,0,0|2,0,0]=4 2273 B7R0.1 CCOCSCCF 62a_100000739092_100011217306 [0,1,1,0,0,0|2,0,0]=4 2274 B7R0.1 CCOCSCCF 62a_100011217306_100000739092 [0,1,1,0,0,0|2,0,0]=4 2275 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [0,1,1,0,0,0|1,0,0]=3 2276 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [0,1,1,0,0,0|1,0,0]=3 2277 B7R0.1 CCOCSCOC 62a_100000739092_100000766300 [0,1,1,0,0,0|2,0,0]=4 2278 B7R0.1 CCOCSCOC 62a_100000766300_100000739092 [0,1,1,0,0,0|2,0,0]=4 2279 B7R0.1 CCSCC#CCO 62a_100000210202_200000047223 [0,1,1,0,0,0|0,0,2]=4 2280 B7R0.1 CCSCC#CCO 62a_200000047223_100000210202 [0,1,1,0,0,0|0,0,2]=4 2281 B7R0.1 CCSCCCC#N 62a_100000210202_100000687738 [0,1,1,0,0,0|1,0,1]=4 2282 B7R0.1 CCSCCCC#N 62a_100000687738_100000210202 [0,1,1,0,0,0|1,0,1]=4 2283 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [0,1,1,0,0,0|0,0,2]=4 2284 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [0,1,1,0,0,0|0,0,2]=4 2285 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [0,1,1,0,0,0|1,0,0]=3 2286 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [0,1,1,0,0,0|1,0,0]=3 2287 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [0,1,1,0,0,0|0,0,0]=2 2288 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [0,1,1,0,0,0|0,0,0]=2 2289 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [0,1,1,0,0,0|1,0,0]=3 2290 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [0,1,1,0,0,0|1,0,0]=3 2291 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [0,1,1,0,0,0|1,0,0]=3 2292 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [0,1,1,0,0,0|1,0,0]=3 2293 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [0,1,1,0,0,0|1,0,0]=3 2294 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [0,1,1,0,0,0|1,0,0]=3 2295 B7R0.1 CCSCCOCF 34a_100000212035_100015361967 [0,1,1,0,0,0|2,0,0]=4 2296 B7R0.1 CCSCCOCF 7a_100000212035_100015361967 [0,1,1,0,0,0|2,0,0]=4 2297 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [0,1,1,0,0,0|2,0,0]=4 2298 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [0,1,1,0,0,0|2,0,0]=4 2299 B7R0.1 CCSCCSCF 62a_100000757381_100015361967 [0,1,1,0,0,0|2,0,0]=4 2300 B7R0.1 CCSCCSCF 62a_100015361967_100000757381 [0,1,1,0,0,0|2,0,0]=4 2301 B7R0.1 CNCCCCC#N 2230a_106832991635_100000211819 [0,1,1,0,0,0|1,0,1]=4 2302 B7R0.1 CNCCCCC#N 7a_106832991635_100000211819 [0,1,1,0,0,0|1,0,1]=4 2303 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [0,1,1,0,0,0|0,0,2]=4 2304 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [0,1,1,0,0,0|0,0,2]=4 2305 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [0,1,1,0,0,0|1,0,0]=3 2306 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [0,1,1,0,0,0|1,0,0]=3 2307 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [0,1,1,0,0,0|1,0,0]=3 2308 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [0,1,1,0,0,0|0,0,0]=2 2309 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [0,1,1,0,0,0|0,0,0]=2 2310 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [0,1,1,0,0,0|0,0,0]=2 2311 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [0,1,1,0,0,0|0,0,0]=2 2312 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [0,1,1,0,0,0|0,0,0]=2 2313 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [0,1,1,0,0,0|1,0,0]=3 2314 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [0,1,1,0,0,0|1,0,0]=3 2315 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [0,1,1,0,0,0|1,0,0]=3 2316 B7R0.1 CNCCCOCF 34a_100000213112_100015361967 [0,1,1,0,0,0|2,0,0]=4 2317 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [0,1,1,0,0,0|1,0,0]=3 2318 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [0,1,1,0,0,0|1,0,0]=3 2319 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [0,1,1,0,0,0|1,0,0]=3 2320 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [0,1,1,0,0,0|1,0,0]=3 2321 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [0,1,1,0,0,0|1,0,0]=3 2322 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [0,1,1,0,0,0|1,0,0]=3 2323 B7R0.1 CNCOCCOC 2230a_106832991635_100000231047 [0,1,1,0,0,0|2,0,0]=4 2324 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [0,1,1,0,0,0|1,0,0]=3 2325 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [0,1,1,0,0,0|1,0,0]=3 2326 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [0,1,1,0,0,0|1,0,0]=3 2327 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [0,1,1,0,0,0|1,0,0]=3 2328 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [0,1,1,0,0,0|1,0,0]=3 2329 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [0,1,1,0,0,0|1,0,0]=3 2330 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [0,1,1,0,0,0|1,0,0]=3 2331 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [0,1,1,0,0,0|1,0,0]=3 2332 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [0,1,1,0,0,0|0,0,0]=2 2333 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [0,1,1,0,0,0|1,0,0]=3 2334 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [0,1,1,0,0,0|1,0,0]=3 2335 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [0,1,1,0,0,0|1,0,0]=3 2336 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [0,1,1,0,0,0|1,0,0]=3 2337 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [0,1,1,0,0,0|1,0,0]=3 2338 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [0,1,1,0,0,0|1,0,0]=3 2339 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [0,1,1,0,0,0|1,0,0]=3 2340 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [0,1,1,0,0,0|1,0,0]=3 2341 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [0,1,1,0,0,0|1,0,0]=3 2342 B7R0.1 COCCCNCF 34a_100150723488_100015361967 [0,1,1,0,0,0|2,0,0]=4 2343 B7R0.1 COCCCOCF 34a_100000740835_100015361967 [0,1,1,0,0,0|2,0,0]=4 2344 B7R0.1 COCCCSCF 62a_100000709357_100015361967 [0,1,1,0,0,0|2,0,0]=4 2345 B7R0.1 COCCCSCF 62a_100015361967_100000709357 [0,1,1,0,0,0|2,0,0]=4 2346 B7R0.1 COCCNCCF 2230a_100000209980_100011217306 [0,1,1,0,0,0|2,0,0]=4 2347 B7R0.1 COCCNCCF 34a_100000724931_100011201679 [0,1,1,0,0,0|2,0,0]=4 2348 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [0,1,1,0,0,0|1,0,0]=3 2349 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [0,1,1,0,0,0|1,0,0]=3 2350 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [0,1,1,0,0,0|1,0,0]=3 2351 B7R0.1 COCCNCOC 2230a_100000209980_100000766300 [0,1,1,0,0,0|2,0,0]=4 2352 B7R0.1 COCCNCSC 2230a_100000209980_100011218213 [0,1,1,0,0,0|2,0,0]=4 2353 B7R0.1 COCCOCCBr 34a_100000211926_100011201679 [0,1,1,0,0,0|2,0,0]=4 2354 B7R0.1 COCCOCCBr 34a_100000692535_200000210301 [0,1,1,0,0,0|2,0,0]=4 2355 B7R0.1 COCCOCCBr 7a_100000692535_200000210301 [0,1,1,0,0,0|2,0,0]=4 2356 B7R0.1 COCCOCCCl 34a_100011215305_200000210301 [0,1,1,0,0,0|2,0,0]=4 2357 B7R0.1 COCCOCCCl 7a_100011215305_200000210301 [0,1,1,0,0,0|2,0,0]=4 2358 B7R0.1 COCCOCCF 34a_100000210237_100011217306 [0,1,1,0,0,0|2,0,0]=4 2359 B7R0.1 COCCOCCF 34a_200015357709_200000210301 [0,1,1,0,0,0|2,0,0]=4 2360 B7R0.1 COCCOCCF 7a_200015357709_200000210301 [0,1,1,0,0,0|2,0,0]=4 2361 B7R0.1 COCCOCCI 34a_100012149058_200000210301 [0,1,1,0,0,0|2,0,0]=4 2362 B7R0.1 COCCOCCI 7a_100012149058_200000210301 [0,1,1,0,0,0|2,0,0]=4 2363 B7R0.1 COCCOCCN 34a_100000210304_100011201679 [0,1,1,0,0,0|2,0,0]=4 2364 B7R0.1 COCCOCCN 34a_100000211614_200000210301 [0,1,1,0,0,0|2,0,0]=4 2365 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [0,1,1,0,0,0|1,0,0]=3 2366 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [0,1,1,0,0,0|1,0,0]=3 2367 B7R0.1 COCCOCSC 34a_100000210237_100011218213 [0,1,1,0,0,0|2,0,0]=4 2368 B7R0.1 COCCOCSC 62a_100000231047_200000210301 [0,1,1,0,0,0|2,0,0]=4 2369 B7R0.1 COCCOCSC 62a_200000210301_100000231047 [0,1,1,0,0,0|2,0,0]=4 2370 B7R0.1 COCCOCS[13CH3] 62a_100000231047_200025704644 [0,1,1,0,0,0|2,0,0]=4 2371 B7R0.1 COCCOCS[13CH3] 62a_200025704644_100000231047 [0,1,1,0,0,0|2,0,0]=4 2372 B7R0.1 COCCSCCF 62a_100000233755_100011217306 [0,1,1,0,0,0|2,0,0]=4 2373 B7R0.1 COCCSCCF 62a_100011217306_100000233755 [0,1,1,0,0,0|2,0,0]=4 2374 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [0,1,1,0,0,0|1,0,0]=3 2375 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [0,1,1,0,0,0|1,0,0]=3 2376 B7R0.1 COCCSCOC 62a_100000233755_100000766300 [0,1,1,0,0,0|2,0,0]=4 2377 B7R0.1 COCCSCOC 62a_100000766300_100000233755 [0,1,1,0,0,0|2,0,0]=4 2378 B7R0.1 COCCSCSC 62a_100000233755_100011218213 [0,1,1,0,0,0|2,0,0]=4 2379 B7R0.1 COCCSCSC 62a_100011218213_100000233755 [0,1,1,0,0,0|2,0,0]=4 2380 B7R0.1 COCNCCCF 2230a_100015189416_100000766300 [0,1,1,0,0,0|2,0,0]=4 2381 B7R0.1 COCNCCSC 2230a_100020590264_100000766300 [0,1,1,0,0,0|2,0,0]=4 2382 B7R0.1 COCSCCCF 62a_100000766300_100011934791 [0,1,1,0,0,0|2,0,0]=4 2383 B7R0.1 COCSCCCF 62a_100011934791_100000766300 [0,1,1,0,0,0|2,0,0]=4 2384 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [0,1,1,0,0,0|1,0,0]=3 2385 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [0,1,1,0,0,0|1,0,0]=3 2386 B7R0.1 COCSCCSC 62a_100000212216_100000766300 [0,1,1,0,0,0|2,0,0]=4 2387 B7R0.1 COCSCCSC 62a_100000766300_100000751147 [0,1,1,0,0,0|2,0,0]=4 2388 B7R0.1 CSCCCCC#N 62a_100011219923_200000210301 [0,1,1,0,0,0|1,0,1]=4 2389 B7R0.1 CSCCCCC#N 62a_200000210301_100000211819 [0,1,1,0,0,0|1,0,1]=4 2390 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [0,1,1,0,0,0|0,0,2]=4 2391 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [0,1,1,0,0,0|0,0,2]=4 2392 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [0,1,1,0,0,0|1,0,0]=3 2393 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [0,1,1,0,0,0|1,0,0]=3 2394 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [0,1,1,0,0,0|0,0,0]=2 2395 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [0,1,1,0,0,0|0,0,0]=2 2396 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [0,1,1,0,0,0|1,0,0]=3 2397 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [0,1,1,0,0,0|1,0,0]=3 2398 B7R0.1 CSCCCOCF 34a_100000690336_100015361967 [0,1,1,0,0,0|2,0,0]=4 2399 B7R0.1 CSCCCOCF 7a_100000690336_100015361967 [0,1,1,0,0,0|2,0,0]=4 2400 B7R0.1 CSCCNCCF 2230a_100020590264_100011217306 [0,1,1,0,0,0|2,0,0]=4 2401 B7R0.1 CSCCNCCF 34a_100000724931_100000212216 [0,1,1,0,0,0|2,0,0]=4 2402 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [0,1,1,0,0,0|1,0,0]=3 2403 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [0,1,1,0,0,0|1,0,0]=3 2404 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [0,1,1,0,0,0|1,0,0]=3 2405 B7R0.1 CSCCOCCBr 34a_100000211926_100000212216 [0,1,1,0,0,0|2,0,0]=4 2406 B7R0.1 CSCCOCCF 34a_100000230434_100011217306 [0,1,1,0,0,0|2,0,0]=4 2407 B7R0.1 CSCCOCCF 7a_100000230434_100011217306 [0,1,1,0,0,0|2,0,0]=4 2408 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [0,1,1,0,0,0|2,0,0]=4 2409 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [0,1,1,0,0,0|1,0,0]=3 2410 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [0,1,1,0,0,0|1,0,0]=3 2411 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [0,1,1,0,0,0|1,0,0]=3 2412 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [0,1,1,0,0,0|1,0,0]=3 2413 B7R0.1 CSCCSCCF 62a_100000212216_100011217306 [0,1,1,0,0,0|2,0,0]=4 2414 B7R0.1 CSCCSCCF 62a_100011217306_100000751147 [0,1,1,0,0,0|2,0,0]=4 2415 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [0,1,1,0,0,0|1,0,0]=3 2416 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [0,1,1,0,0,0|1,0,0]=3 2417 B7R0.1 CSCNCCCF 2230a_100015189416_100011218213 [0,1,1,0,0,0|2,0,0]=4 2418 B7R0.1 CSCNCCCF 34a_100015189416_100011218213 [0,1,1,0,0,0|2,0,0]=4 2419 B7R0.1 CSCOCCCBr 34a_100011217188_100011218213 [0,1,1,0,0,0|2,0,0]=4 2420 B7R0.1 CSCOCCCCl 34a_100000230001_100011218213 [0,1,1,0,0,0|2,0,0]=4 2421 B7R0.1 CSCOCCCF 34a_100000759539_100011218213 [0,1,1,0,0,0|2,0,0]=4 2422 B7R0.1 CSCOCCCN 34a_100000182051_100011218213 [0,1,1,0,0,0|2,0,0]=4 2423 B7R0.1 CSCOCCON 34a_100000700252_100011218213 [0,1,1,0,0,0|2,0,0]=4 2424 B7R0.1 CSCSCCCF 62a_100011218213_100011934791 [0,1,1,0,0,0|2,0,0]=4 2425 B7R0.1 CSCSCCCF 62a_100011934791_100011218213 [0,1,1,0,0,0|2,0,0]=4 2426 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [0,1,1,0,0,0|1,0,0]=3 2427 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [0,1,1,0,0,0|1,0,0]=3 2428 B7R0.1 FCCCCOCF 34a_100011995726_100015361967 [0,1,1,0,0,0|2,0,0]=4 2429 B7R0.1 FCCCCOCF 7a_100011995726_100015361967 [0,1,1,0,0,0|2,0,0]=4 2430 B7R0.1 FCCCCSCF 62a_100000729493_100015361967 [0,1,1,0,0,0|2,0,0]=4 2431 B7R0.1 FCCCCSCF 62a_100015361967_100000729493 [0,1,1,0,0,0|2,0,0]=4 2432 B7R0.1 FCCCNCCF 2230a_100015189416_100011217306 [0,1,1,0,0,0|2,0,0]=4 2433 B7R0.1 FCCCNCCF 34a_100000724931_100011934791 [0,1,1,0,0,0|2,0,0]=4 2434 B7R0.1 FCCCNCCF 34a_100015189416_100011217306 [0,1,1,0,0,0|2,0,0]=4 2435 B7R0.1 FCCCOCCBr 34a_100000211926_100011934791 [0,1,1,0,0,0|2,0,0]=4 2436 B7R0.1 FCCCOCCF 34a_100000759539_100011217306 [0,1,1,0,0,0|2,0,0]=4 2437 B7R0.1 FCCCSCCF 62a_100011217306_100011934791 [0,1,1,0,0,0|2,0,0]=4 2438 B7R0.1 FCCCSCCF 62a_100011934791_100011217306 [0,1,1,0,0,0|2,0,0]=4 2439 B7R0.1 FCCOCCCBr 34a_100011217188_100011217306 [0,1,1,0,0,0|2,0,0]=4 2440 B7R0.1 FCCOCCCCl 34a_100000230001_100011217306 [0,1,1,0,0,0|2,0,0]=4 2441 B7R0.1 FCOCCCCBr 34a_100011216708_100015361967 [0,1,1,0,0,0|2,0,0]=4 2442 B7R0.1 FCOCCCCCl 34a_100000210776_100015361967 [0,1,1,0,0,0|2,0,0]=4 2443 B7R0.1 FCOCCCCCl 7a_100000210776_100015361967 [0,1,1,0,0,0|2,0,0]=4 2444 B7R0.1 FCOCCCCI 34a_200012148704_100015361967 [0,1,1,0,0,0|2,0,0]=4 2445 B7R0.1 N#CCCNCCO 2230a_100016997473_100011215226 [0,1,1,0,0,0|1,0,1]=4 2446 B7R0.1 N#CCCSCCO 62a_100000211926_100011215226 [0,1,1,0,0,0|1,0,1]=4 2447 B7R0.1 N#CCCSCCO 62a_100011215226_100000211926 [0,1,1,0,0,0|1,0,1]=4 2448 B7R0.1 N#CCSCCCO 62a_100011215043_100011215382 [0,1,1,0,0,0|1,0,1]=4 2449 B7R0.1 N#CCSCCCO 62a_100011215382_100011215043 [0,1,1,0,0,0|1,0,1]=4 2450 B7R0.1 NCCCCOCF 34a_100000750430_100015361967 [0,1,1,0,0,0|2,0,0]=4 2451 B7R0.1 NCCCOCCF 34a_100000182051_100011217306 [0,1,1,0,0,0|2,0,0]=4 2452 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [0,1,1,0,0,0|1,0,0]=3 2453 B7R0.1 NCCOCCCF 34a_100000210304_100011934791 [0,1,1,0,0,0|2,0,0]=4 2454 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [0,1,1,0,0,0|1,0,0]=3 2455 B7R0.1 NOCCOCCF 34a_100000700252_100011217306 [0,1,1,0,0,0|2,0,0]=4 2456 B7R0.1 NOCCOCCO 34a_100000700252_100000211926 [0,1,1,0,0,0|2,0,0]=4 2457 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [0,1,1,0,0,0|1,0,1]=4 2458 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [0,1,1,0,0,0|1,0,1]=4 2459 B7R0.1 OCCCCNCF 34a_100000750430_100015361967 [0,1,1,0,0,0|1,0,0]=3 2460 B7R0.1 OCCCCSCF 62a_100000210776_100015361967 [0,1,1,0,0,0|1,0,0]=3 2461 B7R0.1 OCCCCSCF 62a_100015361967_100000210776 [0,1,1,0,0,0|1,0,0]=3 2462 B7R0.1 OCCCNCCF 34a_100000724931_100000230001 [0,1,1,0,0,0|1,0,0]=3 2463 B7R0.1 OCCCNCCO 2230a_100016997473_100000230001 [0,1,1,0,0,0|1,0,0]=3 2464 B7R0.1 OCCCNCCO 34a_100016990907_100000230001 [0,1,1,0,0,0|1,0,0]=3 2465 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [0,1,1,0,0,0|1,0,0]=3 2466 B7R0.1 OCCCSCCF 62a_100011215043_100011217306 [0,1,1,0,0,0|1,0,0]=3 2467 B7R0.1 OCCCSCCF 62a_100011217306_100011215043 [0,1,1,0,0,0|1,0,0]=3 2468 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [0,1,1,0,0,0|1,0,0]=3 2469 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [0,1,1,0,0,0|1,0,0]=3 2470 B7R0.1 OCCNCCCF 2230a_100015189416_100000211926 [0,1,1,0,0,0|1,0,0]=3 2471 B7R0.1 OCCNCCCF 2230a_100016997473_100011934791 [0,1,1,0,0,0|1,0,0]=3 2472 B7R0.1 OCCNCCCF 34a_100015189416_100000211926 [0,1,1,0,0,0|1,0,0]=3 2473 B7R0.1 OCCNCCCF 34a_100016990907_100011934791 [0,1,1,0,0,0|1,0,0]=3 2474 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [0,1,1,0,0,0|1,0,0]=3 2475 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [0,1,1,0,0,0|1,0,0]=3 2476 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [0,1,1,0,0,0|1,0,0]=3 2477 B7R0.1 OCCSCCCF 62a_100000211926_100011934791 [0,1,1,0,0,0|1,0,0]=3 2478 B7R0.1 OCCSCCCF 62a_100011934791_100000211926 [0,1,1,0,0,0|1,0,0]=3 2479 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [0,1,1,0,0,0|0,0,0]=2 2480 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [0,1,1,0,0,0|0,0,0]=2 2481 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [0,1,1,0,0,0|1,0,0]=3 2482 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [0,1,1,0,0,0|1,0,0]=3 2483 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [0,1,1,0,0,0|1,0,0]=3 2484 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [0,1,1,0,0,0|1,0,0]=3 2485 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [0,1,1,0,0,0|1,0,0]=3 2486 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [0,1,1,0,0,0|1,0,0]=3 2487 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [0,1,1,0,0,0|1,0,0]=3 2488 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [0,1,1,0,0,0|1,0,0]=3 2489 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [0,1,1,0,0,0|1,0,0]=3 2490 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [0,1,1,0,0,0|1,0,0]=3 2491 B7R0.1 [13CH3]OCCOCCBr 34a_100000692535_200025704644 [0,1,1,0,0,0|2,0,0]=4 2492 B7R0.1 [13CH3]OCCOCCBr 7a_100000692535_200025704644 [0,1,1,0,0,0|2,0,0]=4 2493 B7R0.1 [13CH3]OCCOCCCl 34a_100011215305_200025704644 [0,1,1,0,0,0|2,0,0]=4 2494 B7R0.1 [13CH3]OCCOCCCl 7a_100011215305_200025704644 [0,1,1,0,0,0|2,0,0]=4 2495 B7R0.1 [13CH3]OCCOCCF 34a_200015357709_200025704644 [0,1,1,0,0,0|2,0,0]=4 2496 B7R0.1 [13CH3]OCCOCCF 7a_200015357709_200025704644 [0,1,1,0,0,0|2,0,0]=4 2497 B7R0.1 [13CH3]OCCOCCI 34a_100012149058_200025704644 [0,1,1,0,0,0|2,0,0]=4 2498 B7R0.1 [13CH3]OCCOCCI 7a_100012149058_200025704644 [0,1,1,0,0,0|2,0,0]=4 2499 B7R0.1 [13CH3]OCCOCCN 34a_100000211614_200025704644 [0,1,1,0,0,0|2,0,0]=4 2500 B7R0.1 [13CH3]SCCCCC#N 62a_100011219923_200025704644 [0,1,1,0,0,0|1,0,1]=4 2501 B7R0.1 [13CH3]SCCCCC#N 62a_200025704644_100000211819 [0,1,1,0,0,0|1,0,1]=4 2502 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [0,1,1,0,0,0|0,0,2]=4 2503 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [0,1,1,0,0,0|0,0,2]=4 2504 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [0,1,1,0,0,0|1,0,0]=3 2505 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [0,1,1,0,0,0|1,0,0]=3 2506 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [0,1,1,0,0,0|0,0,0]=2 2507 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [0,1,1,0,0,0|0,0,0]=2 2508 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [0,1,1,0,0,0|1,0,0]=3 2509 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [0,1,1,0,0,0|1,0,0]=3 2510 B7R1.1 CCN1CCCC1 2230a_100000188435_100000210202 [0,1,0,0,1,0|2,0,0]=4 2511 B7R1.1 CCN1CCCC1 269982a_100000188435_100000204670 [0,1,0,0,1,0|2,0,0]=4 2512 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [0,1,0,0,1,0|1,0,0]=3 2513 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [0,1,0,0,1,0|1,0,0]=3 2514 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [0,1,0,0,1,0|1,0,0]=3 2515 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [0,1,0,0,1,0|1,0,0]=3 2516 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [0,1,0,0,1,0|1,0,0]=3 2517 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [0,1,0,0,1,0|1,0,0]=3 2518 B7R1.1 CNC1CCOC1 2230a_106832991635_100000731011 [0,1,0,0,1,0|2,0,0]=4 2519 B7R1.1 CNC1CCOC1 270004a_106832991635_100000752484 [0,1,0,0,1,0|2,0,0]=4 2520 B7R1.1 CNC1CCOC1 34a_100102657272_100000690089 [0,1,0,0,1,0|2,0,0]=4 2521 B7R1.1 CNC1CCOC1 7a_106832991635_100000731011 [0,1,0,0,1,0|2,0,0]=4 2522 B7R1.1 CNC1CCSC1 270004a_106832991635_100000212027 [0,1,0,0,1,0|2,0,0]=4 2523 B7R1.1 CN[C@@H]1CCOC1 2230a_200015188469_200000210301 [0,1,0,0,1,0|2,0,0]=4 2524 B7R1.1 CN[C@H]1CCOC1 2230a_100015188467_200000210301 [0,1,0,0,1,0|2,0,0]=4 2525 B7R1.1 CN[C@H]1CCOC1 34a_100015188467_200000210301 [0,1,0,0,1,0|2,0,0]=4 2526 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [0,1,0,0,1,0|0,0,0]=2 2527 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [0,1,0,0,1,0|0,0,0]=2 2528 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [0,1,0,0,1,0|0,0,0]=2 2529 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [0,1,0,0,1,0|1,0,0]=3 2530 B7R1.1 COC1CCOC1 34a_100138415774_100000690089 [0,1,0,0,1,0|1,0,0]=3 2531 B7R1.1 COC1CCSC1 7a_100011232664_200000210301 [0,1,0,0,1,0|1,0,0]=3 2532 B7R1.1 CO[C@H]1CCOC1 34a_100000717292_200000210301 [0,1,0,0,1,0|1,0,0]=3 2533 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [0,1,0,0,1,0|0,1,0]=3 2534 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [0,1,0,0,1,0|0,1,0]=3 2535 B7R1.1 CSC1CCOC1 62a_200000210301_100000690089 [0,1,0,0,1,0|1,1,0]=4 2536 B7R1.1 FCN1CCCC1 269982a_100000188435_100015361967 [0,1,0,0,1,0|2,0,0]=4 2537 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [0,1,0,0,1,0|1,0,0]=3 2538 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [0,1,0,0,1,0|1,0,0]=3 2539 B7R1.1 [13CH3]N[C@@H]1CCOC1 2230a_200015188469_200025704644 [0,1,0,0,1,0|2,0,0]=4 2540 B7R1.1 [13CH3]N[C@H]1CCOC1 2230a_100015188467_200025704644 [0,1,0,0,1,0|2,0,0]=4 2541 B7R1.1 [13CH3]N[C@H]1CCOC1 34a_100015188467_200025704644 [0,1,0,0,1,0|2,0,0]=4 2542 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [0,1,0,0,1,0|0,0,0]=2 2543 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [0,1,0,0,1,0|0,0,0]=2 2544 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [0,1,0,0,1,0|1,0,0]=3 2545 B7R1.1 [13CH3]OC1CCSC1 7a_100011232664_200025704644 [0,1,0,0,1,0|1,0,0]=3 2546 B7R1.1 [13CH3]O[C@H]1CCOC1 34a_100000717292_200025704644 [0,1,0,0,1,0|1,0,0]=3 2547 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [0,1,0,0,1,0|0,1,0]=3 2548 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [0,1,0,0,1,0|0,1,0]=3 2549 B7R1.1 [13CH3]SC1CCOC1 62a_200025704644_100000690089 [0,1,0,0,1,0|1,1,0]=4 2550 B7R1.2 CN1CCC(C1)O 2230a_100011215560_200000210301 [0,1,0,0,1,0|1,0,0]=3 2551 B7R1.2 CN1CCC(C1)O 269982a_100011215560_200000210301 [0,1,0,0,1,0|1,0,0]=3 2552 B7R1.2 CN1CC[C@@H](C1)F 2230a_100015203821_200000210301 [0,1,0,0,1,0|2,0,0]=4 2553 B7R1.2 CN1CC[C@@H](C1)F 269982a_100015203821_200000210301 [0,1,0,0,1,0|2,0,0]=4 2554 B7R1.2 CN1CC[C@@H](C1)F 34a_100015203821_200000210301 [0,1,0,0,1,0|2,0,0]=4 2555 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [0,1,0,0,1,0|2,0,0]=4 2556 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [0,1,0,0,1,0|2,0,0]=4 2557 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [0,1,0,0,1,0|2,0,0]=4 2558 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [0,1,0,0,1,0|2,0,0]=4 2559 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [0,1,0,0,1,0|2,0,0]=4 2560 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [0,1,0,0,1,0|2,0,0]=4 2561 B7R1.2 [13CH3]N1CCC(C1)O 2230a_100011215560_200025704644 [0,1,0,0,1,0|1,0,0]=3 2562 B7R1.2 [13CH3]N1CCC(C1)O 269982a_100011215560_200025704644 [0,1,0,0,1,0|1,0,0]=3 2563 B7R1.2 [13CH3]N1CC[C@@H](C1)F 2230a_100015203821_200025704644 [0,1,0,0,1,0|2,0,0]=4 2564 B7R1.2 [13CH3]N1CC[C@@H](C1)F 269982a_100015203821_200025704644 [0,1,0,0,1,0|2,0,0]=4 2565 B7R1.2 [13CH3]N1CC[C@@H](C1)F 34a_100015203821_200025704644 [0,1,0,0,1,0|2,0,0]=4 2566 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [0,1,0,0,1,0|2,0,0]=4 2567 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [0,1,0,0,1,0|2,0,0]=4 2568 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [0,1,0,0,1,0|2,0,0]=4 2569 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [0,1,0,0,1,0|2,0,0]=4 2570 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [0,1,0,0,1,0|2,0,0]=4 2571 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [0,1,0,0,1,0|2,0,0]=4 2572 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [0,1,0,0,1,0|2,0,0]=4 2573 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [0,1,0,0,1,0|2,0,0]=4 2574 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [0,1,0,0,1,0|2,0,0]=4 2575 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [0,1,0,0,1,0|2,0,0]=4 2576 B9R1.48 CN1CCCCC(C1)O 2230a_100025706797_200000210301 [0,1,0,0,0,1|0,0,0]=2 2577 B9R1.48 CN1CCCCC(C1)O 269982a_100025706797_200000210301 [0,1,0,0,0,1|0,0,0]=2 2578 B9R1.48 CN1CCOC[C@@H](C1)O 2230a_100016073750_200000210301 [0,1,0,0,0,1|1,0,0]=3 2579 B9R1.48 CN1CCOC[C@@H](C1)O 269982a_100016073750_200000210301 [0,1,0,0,0,1|1,0,0]=3 2580 B9R1.48 [13CH3]N1CCCCC(C1)O 2230a_100025706797_200025704644 [0,1,0,0,0,1|0,0,0]=2 2581 B9R1.48 [13CH3]N1CCCCC(C1)O 269982a_100025706797_200025704644 [0,1,0,0,0,1|0,0,0]=2 2582 B9R1.48 [13CH3]N1CCOC[C@@H](C1)O 2230a_100016073750_200025704644 [0,1,0,0,0,1|1,0,0]=3 2583 B9R1.48 [13CH3]N1CCOC[C@@H](C1)O 269982a_100016073750_200025704644 [0,1,0,0,0,1|1,0,0]=3 2584 B9R1.49 CC1CCCN(CC1)C 2230a_100025706717_200000210301 [0,1,0,0,0,1|1,0,0]=3 2585 B9R1.49 CC1CCCN(CC1)C 269982a_100025706717_200000210301 [0,1,0,0,0,1|1,0,0]=3 2586 B9R1.49 CC1CCCN(CC1)C 34a_100025706717_200000210301 [0,1,0,0,0,1|1,0,0]=3 2587 B9R1.49 CC1CCCN(CC1)[13CH3] 2230a_100025706717_200025704644 [0,1,0,0,0,1|1,0,0]=3 2588 B9R1.49 CC1CCCN(CC1)[13CH3] 269982a_100025706717_200025704644 [0,1,0,0,0,1|1,0,0]=3 2589 B9R1.49 CC1CCCN(CC1)[13CH3] 34a_100025706717_200025704644 [0,1,0,0,0,1|1,0,0]=3 2590 B9R1.49 CN1CCCC(CC1)O 2230a_100015186869_200000210301 [0,1,0,0,0,1|0,0,0]=2 2591 B9R1.49 CN1CCCC(CC1)O 269982a_100015186869_200000210301 [0,1,0,0,0,1|0,0,0]=2 2592 B9R1.49 CN1CCCN(CC1)C 2230a_100000211313_200000210301 [0,1,0,0,0,1|2,0,0]=4 2593 B9R1.49 CN1CCCN(CC1)C 269982a_100000211313_200000210301 [0,1,0,0,0,1|2,0,0]=4 2594 B9R1.49 CN1CCCN(CC1)[13CH3] 2230a_100000211313_200025704644 [0,1,0,0,0,1|2,0,0]=4 2595 B9R1.49 CN1CCCN(CC1)[13CH3] 269982a_100000211313_200025704644 [0,1,0,0,0,1|2,0,0]=4 2596 B9R1.49 [13CH3]N1CCCC(CC1)O 2230a_100015186869_200025704644 [0,1,0,0,0,1|0,0,0]=2 2597 B9R1.49 [13CH3]N1CCCC(CC1)O 269982a_100015186869_200025704644 [0,1,0,0,0,1|0,0,0]=2 2598 B9R1.89 CCN1CCCCCC1 2230a_100000185865_100000210202 [0,1,0,0,0,1|2,0,0]=4 2599 B9R1.89 CCN1CCCCCC1 269982a_100000185865_100000204670 [0,1,0,0,0,1|2,0,0]=4 2600 B9R1.89 CCN1CCCCCC1 34a_100000185865_100000210202 [0,1,0,0,0,1|2,0,0]=4 2601 B9R1.89 CCN1CCCOCC1 2230a_100000685342_100000210202 [0,1,0,0,0,1|2,0,0]=4 2602 B9R1.89 CCN1CCCOCC1 269982a_100000685342_100000204670 [0,1,0,0,0,1|2,0,0]=4 2603 B9R1.89 CCN1CCCOCC1 34a_100000685342_100000210202 [0,1,0,0,0,1|2,0,0]=4 2604 B9R1.89 CNC1CCCCCC1 2230a_100000210984_200000210301 [0,1,0,0,0,1|1,0,0]=3 2605 B9R1.89 CNC1CCCCCC1 270004a_106832991635_100000210131 [0,1,0,0,0,1|1,0,0]=3 2606 B9R1.89 CNC1CCCCCC1 34a_100000210984_200000210301 [0,1,0,0,0,1|1,0,0]=3 2607 B9R1.89 CNC1CCCCCC1 34a_100102657272_100011217769 [0,1,0,0,0,1|1,0,0]=3 2608 B9R1.89 CNC1CCCNCC1 270004a_106832991635_100015187895 [0,1,0,0,0,1|1,0,0]=3 2609 B9R1.89 CNC1CSCCSC1 270004a_106832991635_100000068409 [0,1,0,0,0,1|2,0,0]=4 2610 B9R1.89 COC1CCCCCC1 34a_100000210887_200000210301 [0,1,0,0,0,1|0,0,0]=2 2611 B9R1.89 COC1CCCCCC1 34a_100138415774_100011217769 [0,1,0,0,0,1|0,0,0]=2 2612 B9R1.89 COC1CCCCCC1 7a_100000210887_200000210301 [0,1,0,0,0,1|0,0,0]=2 2613 B9R1.89 CSC1CCCCCC1 62a_100011217769_200000210301 [0,1,0,0,0,1|0,1,0]=3 2614 B9R1.89 CSC1CCCCCC1 62a_200000210301_100011217769 [0,1,0,0,0,1|0,1,0]=3 2615 B9R1.89 FCN1CCCCCC1 269982a_100000185865_100015361967 [0,1,0,0,0,1|2,0,0]=4 2616 B9R1.89 FCN1CCCCCC1 34a_100000185865_100015361967 [0,1,0,0,0,1|2,0,0]=4 2617 B9R1.89 FCN1CCCOCC1 269982a_100000685342_100015361967 [0,1,0,0,0,1|2,0,0]=4 2618 B9R1.89 FCN1CCCOCC1 34a_100000685342_100015361967 [0,1,0,0,0,1|2,0,0]=4 2619 B9R1.89 [13CH3]NC1CCCCCC1 2230a_100000210984_200025704644 [0,1,0,0,0,1|1,0,0]=3 2620 B9R1.89 [13CH3]NC1CCCCCC1 34a_100000210984_200025704644 [0,1,0,0,0,1|1,0,0]=3 2621 B9R1.89 [13CH3]OC1CCCCCC1 34a_100000210887_200025704644 [0,1,0,0,0,1|0,0,0]=2 2622 B9R1.89 [13CH3]OC1CCCCCC1 7a_100000210887_200025704644 [0,1,0,0,0,1|0,0,0]=2 2623 B9R1.89 [13CH3]SC1CCCCCC1 62a_100011217769_200025704644 [0,1,0,0,0,1|0,1,0]=3 2624 B9R1.89 [13CH3]SC1CCCCCC1 62a_200025704644_100011217769 [0,1,0,0,0,1|0,1,0]=3 2625 B9R1.1 C#CC1CCN(CC1)C 2230a_100016991398_200000210301 [0,2,0,0,0,0|2,0,0]=4 2626 B9R1.1 C#CC1CCN(CC1)C 269982a_100016991398_200000210301 [0,2,0,0,0,0|2,0,0]=4 2627 B9R1.1 C#CC1CCN(CC1)C 34a_100016991398_200000210301 [0,2,0,0,0,0|2,0,0]=4 2628 B9R1.1 C#CC1CCN(CC1)[13CH3] 2230a_100016991398_200025704644 [0,2,0,0,0,0|2,0,0]=4 2629 B9R1.1 C#CC1CCN(CC1)[13CH3] 269982a_100016991398_200025704644 [0,2,0,0,0,0|2,0,0]=4 2630 B9R1.1 C#CC1CCN(CC1)[13CH3] 34a_100016991398_200025704644 [0,2,0,0,0,0|2,0,0]=4 2631 B9R1.1 C=C1CCC(CC1)NC 270004a_106832991635_100010272673 [0,2,0,0,0,0|1,0,1]=4 2632 B9R1.1 CC1CCC(CC1)O[13CH3] 34a_100000210714_200025704644 [0,2,0,0,0,0|0,0,0]=2 2633 B9R1.1 CC1CCC(CC1)O[13CH3] 7a_100000210714_200025704644 [0,2,0,0,0,0|0,0,0]=2 2634 B9R1.1 CC1CCC(CC1)S[13CH3] 62a_200025704644_200011216234 [0,2,0,0,0,0|0,1,0]=3 2635 B9R1.1 CC1CCN(CC1)CF 269982a_100000188429_100015361967 [0,2,0,0,0,0|2,0,0]=4 2636 B9R1.1 CC1CCN(CC1)CF 34a_100000188429_100015361967 [0,2,0,0,0,0|2,0,0]=4 2637 B9R1.1 CCC1CCN(CC1)C 2230a_100000754474_200000210301 [0,2,0,0,0,0|2,0,0]=4 2638 B9R1.1 CCC1CCN(CC1)C 269982a_100000754474_200000210301 [0,2,0,0,0,0|2,0,0]=4 2639 B9R1.1 CCC1CCN(CC1)C 34a_100000754474_200000210301 [0,2,0,0,0,0|2,0,0]=4 2640 B9R1.1 CCC1CCN(CC1)[13CH3] 2230a_100000754474_200025704644 [0,2,0,0,0,0|2,0,0]=4 2641 B9R1.1 CCC1CCN(CC1)[13CH3] 269982a_100000754474_200025704644 [0,2,0,0,0,0|2,0,0]=4 2642 B9R1.1 CCC1CCN(CC1)[13CH3] 34a_100000754474_200025704644 [0,2,0,0,0,0|2,0,0]=4 2643 B9R1.1 CCN1CCC(CC1)C 2230a_100000188429_100000210202 [0,2,0,0,0,0|2,0,0]=4 2644 B9R1.1 CCN1CCC(CC1)C 269982a_100000188429_100000204670 [0,2,0,0,0,0|2,0,0]=4 2645 B9R1.1 CCN1CCC(CC1)C 34a_100000188429_100000210202 [0,2,0,0,0,0|2,0,0]=4 2646 B9R1.1 CCN1CCC(CC1)F 2230a_100015193889_100000210202 [0,2,0,0,0,0|2,0,0]=4 2647 B9R1.1 CCN1CCC(CC1)F 269982a_100015193889_100000204670 [0,2,0,0,0,0|2,0,0]=4 2648 B9R1.1 CCN1CCC(CC1)F 34a_100015193889_100000210202 [0,2,0,0,0,0|2,0,0]=4 2649 B9R1.1 CCN1CCC(CC1)O 2230a_100025773856_100000210202 [0,2,0,0,0,0|1,0,0]=3 2650 B9R1.1 CCN1CCC(CC1)O 269982a_100025773856_100000204670 [0,2,0,0,0,0|1,0,0]=3 2651 B9R1.1 CN1CCC(CC1)C#N 2230a_100000747632_200000210301 [0,2,0,0,0,0|2,0,0]=4 2652 B9R1.1 CN1CCC(CC1)CF 2230a_100015203933_200000210301 [0,2,0,0,0,0|2,0,0]=4 2653 B9R1.1 CN1CCC(CC1)CF 269982a_100015203933_200000210301 [0,2,0,0,0,0|2,0,0]=4 2654 B9R1.1 CN1CCC(CC1)CF 34a_100015203933_200000210301 [0,2,0,0,0,0|2,0,0]=4 2655 B9R1.1 CN1CCC(CC1)CO 2230a_100000738675_200000210301 [0,2,0,0,0,0|1,0,0]=3 2656 B9R1.1 CN1CCC(CC1)CO 269982a_100000738675_200000210301 [0,2,0,0,0,0|1,0,0]=3 2657 B9R1.1 CN1CCC(CC1)CO 34a_100000738675_200000210301 [0,2,0,0,0,0|1,0,0]=3 2658 B9R1.1 CN1CCC(CC1)S[13CH3] 62a_200025704644_100011215917 [0,2,0,0,0,0|1,1,0]=4 2659 B9R1.1 CNC1CCC(CC1)C 270004a_106832991635_100000185489 [0,2,0,0,0,0|1,0,0]=3 2660 B9R1.1 CNC1CCC(CC1)C 34a_100102657272_200011216234 [0,2,0,0,0,0|1,0,0]=3 2661 B9R1.1 CNC1CCC(CC1)O 270004a_106832991635_100000764474 [0,2,0,0,0,0|0,0,0]=2 2662 B9R1.1 CNC1CCN(CC1)C 270004a_106832991635_100000210137 [0,2,0,0,0,0|2,0,0]=4 2663 B9R1.1 CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_200000210301 [0,2,0,0,0,0|1,0,0]=3 2664 B9R1.1 CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_200000210301 [0,2,0,0,0,0|1,0,0]=3 2665 B9R1.1 COC1CCC(=O)CC1 34a_100000764474_200000210301 [0,2,0,0,0,0|0,0,1]=3 2666 B9R1.1 COC1CCC(=O)CC1 7a_100000764474_200000210301 [0,2,0,0,0,0|0,0,1]=3 2667 B9R1.1 COC1CCC(=O)NC1 34a_100000079199_200000210301 [0,2,0,0,0,0|1,0,1]=4 2668 B9R1.1 COC1CCC(CC1)C 34a_100000210714_200000210301 [0,2,0,0,0,0|0,0,0]=2 2669 B9R1.1 COC1CCC(CC1)C 34a_100138415774_200011216234 [0,2,0,0,0,0|0,0,0]=2 2670 B9R1.1 COC1CCC(CC1)C 7a_100000210714_200000210301 [0,2,0,0,0,0|0,0,0]=2 2671 B9R1.1 COC1CCN(CC1)C 2230a_100000234800_200000210301 [0,2,0,0,0,0|1,0,0]=3 2672 B9R1.1 COC1CCN(CC1)C 269982a_100000234800_200000210301 [0,2,0,0,0,0|1,0,0]=3 2673 B9R1.1 COC1CCN(CC1)C 34a_100000234800_200000210301 [0,2,0,0,0,0|1,0,0]=3 2674 B9R1.1 COC1CCN(CC1)[13CH3] 2230a_100000234800_200025704644 [0,2,0,0,0,0|1,0,0]=3 2675 B9R1.1 COC1CCN(CC1)[13CH3] 269982a_100000234800_200025704644 [0,2,0,0,0,0|1,0,0]=3 2676 B9R1.1 COC1CCN(CC1)[13CH3] 34a_100000234800_200025704644 [0,2,0,0,0,0|1,0,0]=3 2677 B9R1.1 CO[C@H]1CC[C@H](CC1)N 34a_100020628982_200000210301 [0,2,0,0,0,0|0,0,0]=2 2678 B9R1.1 CSC1CCC(CC1)C 62a_200000210301_200011216234 [0,2,0,0,0,0|0,1,0]=3 2679 B9R1.1 CSC1CCN(CC1)C 2230a_100015202541_200000210301 [0,2,0,0,0,0|1,1,0]=4 2680 B9R1.1 CSC1CCN(CC1)C 269982a_100015202541_200000210301 [0,2,0,0,0,0|1,1,0]=4 2681 B9R1.1 CSC1CCN(CC1)C 34a_100015202541_200000210301 [0,2,0,0,0,0|1,1,0]=4 2682 B9R1.1 CSC1CCN(CC1)C 62a_200000210301_100011215917 [0,2,0,0,0,0|1,1,0]=4 2683 B9R1.1 CSC1CCN(CC1)[13CH3] 2230a_100015202541_200025704644 [0,2,0,0,0,0|1,1,0]=4 2684 B9R1.1 CSC1CCN(CC1)[13CH3] 269982a_100015202541_200025704644 [0,2,0,0,0,0|1,1,0]=4 2685 B9R1.1 CSC1CCN(CC1)[13CH3] 34a_100015202541_200025704644 [0,2,0,0,0,0|1,1,0]=4 2686 B9R1.1 C[C@H]1CC[C@@H](CC1)N[13CH3] 2230a_100020625639_200025704644 [0,2,0,0,0,0|1,0,0]=3 2687 B9R1.1 C[C@H]1CC[C@@H](CC1)N[13CH3] 34a_100020625639_200025704644 [0,2,0,0,0,0|1,0,0]=3 2688 B9R1.1 FCN1CCC(CC1)F 269982a_100015193889_100015361967 [0,2,0,0,0,0|2,0,0]=4 2689 B9R1.1 FCN1CCC(CC1)F 34a_100015193889_100015361967 [0,2,0,0,0,0|2,0,0]=4 2690 B9R1.1 OC1CCN(CC1)CF 269982a_100025773856_100015361967 [0,2,0,0,0,0|1,0,0]=3 2691 B9R1.1 [13CH3]N1CCC(CC1)C#N 2230a_100000747632_200025704644 [0,2,0,0,0,0|2,0,0]=4 2692 B9R1.1 [13CH3]N1CCC(CC1)CF 2230a_100015203933_200025704644 [0,2,0,0,0,0|2,0,0]=4 2693 B9R1.1 [13CH3]N1CCC(CC1)CF 269982a_100015203933_200025704644 [0,2,0,0,0,0|2,0,0]=4 2694 B9R1.1 [13CH3]N1CCC(CC1)CF 34a_100015203933_200025704644 [0,2,0,0,0,0|2,0,0]=4 2695 B9R1.1 [13CH3]N1CCC(CC1)CO 2230a_100000738675_200025704644 [0,2,0,0,0,0|1,0,0]=3 2696 B9R1.1 [13CH3]N1CCC(CC1)CO 269982a_100000738675_200025704644 [0,2,0,0,0,0|1,0,0]=3 2697 B9R1.1 [13CH3]N1CCC(CC1)CO 34a_100000738675_200025704644 [0,2,0,0,0,0|1,0,0]=3 2698 B9R1.1 [13CH3]OC1CCC(=O)CC1 34a_100000764474_200025704644 [0,2,0,0,0,0|0,0,1]=3 2699 B9R1.1 [13CH3]OC1CCC(=O)CC1 7a_100000764474_200025704644 [0,2,0,0,0,0|0,0,1]=3 2700 B9R1.1 [13CH3]OC1CCC(=O)NC1 34a_100000079199_200025704644 [0,2,0,0,0,0|1,0,1]=4 2701 B9R1.1 [13CH3]O[C@H]1CC[C@H](CC1)N 34a_100020628982_200025704644 [0,2,0,0,0,0|0,0,0]=2 2702 B9R1.2 C#CC1CCCN(C1)C 2230a_100015191679_200000210301 [0,2,0,0,0,0|2,0,0]=4 2703 B9R1.2 C#CC1CCCN(C1)C 269982a_100015191679_200000210301 [0,2,0,0,0,0|2,0,0]=4 2704 B9R1.2 C#CC1CCCN(C1)C 34a_100015191679_200000210301 [0,2,0,0,0,0|2,0,0]=4 2705 B9R1.2 C#CC1CCCN(C1)[13CH3] 2230a_100015191679_200025704644 [0,2,0,0,0,0|2,0,0]=4 2706 B9R1.2 C#CC1CCCN(C1)[13CH3] 269982a_100015191679_200025704644 [0,2,0,0,0,0|2,0,0]=4 2707 B9R1.2 C#CC1CCCN(C1)[13CH3] 34a_100015191679_200025704644 [0,2,0,0,0,0|2,0,0]=4 2708 B9R1.2 CC1=CC(CCC1)O[13CH3] 34a_100011218613_200025704644 [0,2,0,0,0,0|0,0,2]=4 2709 B9R1.2 CC1CC(CCO1)O[13CH3] 34a_100011986385_200025704644 [0,2,0,0,0,0|1,0,0]=3 2710 B9R1.2 CC1CC(CCO1)O[13CH3] 7a_100011986385_200025704644 [0,2,0,0,0,0|1,0,0]=3 2711 B9R1.2 CC1CCCC(C1)N[13CH3] 2230a_100011194320_200025704644 [0,2,0,0,0,0|1,0,0]=3 2712 B9R1.2 CC1CCCC(C1)N[13CH3] 34a_100011194320_200025704644 [0,2,0,0,0,0|1,0,0]=3 2713 B9R1.2 CC1CCCC(C1)O[13CH3] 34a_100000211399_200025704644 [0,2,0,0,0,0|0,0,0]=2 2714 B9R1.2 CCN1CCCC(C1)F 2230a_100000697950_100000210202 [0,2,0,0,0,0|2,0,0]=4 2715 B9R1.2 CCN1CCCC(C1)F 269982a_100000697950_100000204670 [0,2,0,0,0,0|2,0,0]=4 2716 B9R1.2 CCN1CCCC(C1)F 34a_100000697950_100000210202 [0,2,0,0,0,0|2,0,0]=4 2717 B9R1.2 CCN1CCCC(C1)O 2230a_100000211013_100000210202 [0,2,0,0,0,0|1,0,0]=3 2718 B9R1.2 CCN1CCCC(C1)O 269982a_100000211013_100000204670 [0,2,0,0,0,0|1,0,0]=3 2719 B9R1.2 CCN1CCC[C@@H](C1)C 2230a_100000717927_100000210202 [0,2,0,0,0,0|2,0,0]=4 2720 B9R1.2 CCN1CCC[C@@H](C1)C 269982a_100000717927_100000204670 [0,2,0,0,0,0|2,0,0]=4 2721 B9R1.2 CCN1CCC[C@@H](C1)C 34a_100000717927_100000210202 [0,2,0,0,0,0|2,0,0]=4 2722 B9R1.2 CCN1CCOC(C1)O 2230a_100000688207_100000210202 [0,2,0,0,0,0|2,0,0]=4 2723 B9R1.2 CCN1CCOC(C1)O 269982a_100000688207_100000204670 [0,2,0,0,0,0|2,0,0]=4 2724 B9R1.2 CN1CCCC(C1)C#N 2230a_100016989302_200000210301 [0,2,0,0,0,0|2,0,0]=4 2725 B9R1.2 CN1CCCC(C1)C#N 269982a_206835378768_200000210301 [0,2,0,0,0,0|2,0,0]=4 2726 B9R1.2 CN1CCCC(C1)CF 2230a_100016992999_200000210301 [0,2,0,0,0,0|2,0,0]=4 2727 B9R1.2 CN1CCCC(C1)CF 269982a_100016992999_200000210301 [0,2,0,0,0,0|2,0,0]=4 2728 B9R1.2 CN1CCCC(C1)CF 34a_100016992999_200000210301 [0,2,0,0,0,0|2,0,0]=4 2729 B9R1.2 CN1CCCC(C1)CO 2230a_100000211344_200000210301 [0,2,0,0,0,0|1,0,0]=3 2730 B9R1.2 CN1CCCC(C1)CO 269982a_100000211344_200000210301 [0,2,0,0,0,0|1,0,0]=3 2731 B9R1.2 CN1CCCC(C1)CO 34a_100000211344_200000210301 [0,2,0,0,0,0|1,0,0]=3 2732 B9R1.2 CN1CCO[C@@H](C1)CO 2230a_100015189573_200000210301 [0,2,0,0,0,0|2,0,0]=4 2733 B9R1.2 CN1CCO[C@@H](C1)CO 269982a_100015189573_200000210301 [0,2,0,0,0,0|2,0,0]=4 2734 B9R1.2 CN1CCO[C@@H](C1)CO 34a_100015189573_200000210301 [0,2,0,0,0,0|2,0,0]=4 2735 B9R1.2 CNC1CCCC(C1)C 2230a_100011194320_200000210301 [0,2,0,0,0,0|1,0,0]=3 2736 B9R1.2 CNC1CCCC(C1)C 270004a_106832991635_100000183594 [0,2,0,0,0,0|1,0,0]=3 2737 B9R1.2 CNC1CCCC(C1)C 34a_100011194320_200000210301 [0,2,0,0,0,0|1,0,0]=3 2738 B9R1.2 CNC1CCCC(C1)O 2230a_100015190357_200000210301 [0,2,0,0,0,0|0,0,0]=2 2739 B9R1.2 CNC1CCCC(C1)O 270004a_106832991635_100012613340 [0,2,0,0,0,0|0,0,0]=2 2740 B9R1.2 CNC1CCN[C@@H](C1)C 270004a_106832991635_100016994030 [0,2,0,0,0,0|2,0,0]=4 2741 B9R1.2 CNC1CCOC(C1)C 270004a_106832991635_100000755752 [0,2,0,0,0,0|2,0,0]=4 2742 B9R1.2 COC1C=C(CCC1)C 34a_100011218613_200000210301 [0,2,0,0,0,0|0,0,2]=4 2743 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [0,2,0,0,0,0|0,0,1]=3 2744 B9R1.2 COC1CCCC(C1)C 34a_100000211399_200000210301 [0,2,0,0,0,0|0,0,0]=2 2745 B9R1.2 COC1CCCN(C1)C 2230a_100000695604_200000210301 [0,2,0,0,0,0|1,0,0]=3 2746 B9R1.2 COC1CCCN(C1)C 269982a_100000695604_200000210301 [0,2,0,0,0,0|1,0,0]=3 2747 B9R1.2 COC1CCCN(C1)C 34a_100000695604_200000210301 [0,2,0,0,0,0|1,0,0]=3 2748 B9R1.2 COC1CCCN(C1)[13CH3] 2230a_100000695604_200025704644 [0,2,0,0,0,0|1,0,0]=3 2749 B9R1.2 COC1CCCN(C1)[13CH3] 269982a_100000695604_200025704644 [0,2,0,0,0,0|1,0,0]=3 2750 B9R1.2 COC1CCCN(C1)[13CH3] 34a_100000695604_200025704644 [0,2,0,0,0,0|1,0,0]=3 2751 B9R1.2 COC1CCOC(C1)C 34a_100011986385_200000210301 [0,2,0,0,0,0|1,0,0]=3 2752 B9R1.2 COC1CCOC(C1)C 7a_100011986385_200000210301 [0,2,0,0,0,0|1,0,0]=3 2753 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [0,2,0,0,0,0|1,0,1]=4 2754 B9R1.2 C[C@H]1CCCN(C1)CF 269982a_100000717927_100015361967 [0,2,0,0,0,0|2,0,0]=4 2755 B9R1.2 C[C@H]1CCCN(C1)CF 34a_100000717927_100015361967 [0,2,0,0,0,0|2,0,0]=4 2756 B9R1.2 FCN1CCCC(C1)F 269982a_100000697950_100015361967 [0,2,0,0,0,0|2,0,0]=4 2757 B9R1.2 FCN1CCCC(C1)F 34a_100000697950_100015361967 [0,2,0,0,0,0|2,0,0]=4 2758 B9R1.2 OC1CCCN(C1)CF 269982a_100000211013_100015361967 [0,2,0,0,0,0|1,0,0]=3 2759 B9R1.2 OC1CN(CCO1)CF 269982a_100000688207_100015361967 [0,2,0,0,0,0|2,0,0]=4 2760 B9R1.2 [13CH3]N1CCCC(C1)C#N 2230a_100016989302_200025704644 [0,2,0,0,0,0|2,0,0]=4 2761 B9R1.2 [13CH3]N1CCCC(C1)C#N 269982a_206835378768_200025704644 [0,2,0,0,0,0|2,0,0]=4 2762 B9R1.2 [13CH3]N1CCCC(C1)CF 2230a_100016992999_200025704644 [0,2,0,0,0,0|2,0,0]=4 2763 B9R1.2 [13CH3]N1CCCC(C1)CF 269982a_100016992999_200025704644 [0,2,0,0,0,0|2,0,0]=4 2764 B9R1.2 [13CH3]N1CCCC(C1)CF 34a_100016992999_200025704644 [0,2,0,0,0,0|2,0,0]=4 2765 B9R1.2 [13CH3]N1CCCC(C1)CO 2230a_100000211344_200025704644 [0,2,0,0,0,0|1,0,0]=3 2766 B9R1.2 [13CH3]N1CCCC(C1)CO 269982a_100000211344_200025704644 [0,2,0,0,0,0|1,0,0]=3 2767 B9R1.2 [13CH3]N1CCCC(C1)CO 34a_100000211344_200025704644 [0,2,0,0,0,0|1,0,0]=3 2768 B9R1.2 [13CH3]N1CCO[C@@H](C1)CO 2230a_100015189573_200025704644 [0,2,0,0,0,0|2,0,0]=4 2769 B9R1.2 [13CH3]N1CCO[C@@H](C1)CO 269982a_100015189573_200025704644 [0,2,0,0,0,0|2,0,0]=4 2770 B9R1.2 [13CH3]N1CCO[C@@H](C1)CO 34a_100015189573_200025704644 [0,2,0,0,0,0|2,0,0]=4 2771 B9R1.2 [13CH3]NC1CCCC(C1)O 2230a_100015190357_200025704644 [0,2,0,0,0,0|0,0,0]=2 2772 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [0,2,0,0,0,0|0,0,1]=3 2773 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [0,2,0,0,0,0|1,0,1]=4 2774 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [0,2,0,0,0,0|0,0,1]=3 2775 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [0,2,0,0,0,0|0,0,1]=3 2776 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [0,2,0,0,0,0|1,0,1]=4 2777 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [0,2,0,0,0,0|1,0,1]=4 2778 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [0,2,0,0,0,0|1,0,1]=4 2779 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [0,2,0,0,0,0|1,0,1]=4 2780 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [0,2,0,0,0,0|1,0,1]=4 2781 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [0,2,0,0,0,0|1,0,1]=4 2782 B9R1.6 CN(C)C1CCCCC1 2230a_100000207522_200000210301 [0,2,0,0,0,0|1,0,0]=3 2783 B9R1.6 CN(C)C1CCCCC1 269982a_100000207522_200000210301 [0,2,0,0,0,0|1,0,0]=3 2784 B9R1.6 CN(C)C1CCCCC1 269982a_100102631434_100000210327 [0,2,0,0,0,0|1,0,0]=3 2785 B9R1.6 CN(C)C1CCCCC1 270004a_100102631434_100000210434 [0,2,0,0,0,0|1,0,0]=3 2786 B9R1.6 CN(C)C1CCCCC1 34a_100000207522_200000210301 [0,2,0,0,0,0|1,0,0]=3 2787 B9R1.6 CN(C)C1CCCOC1 269982a_100102631434_100000693364 [0,2,0,0,0,0|2,0,0]=4 2788 B9R1.6 CN(C)C1CCCOC1 270004a_100102631434_100000753404 [0,2,0,0,0,0|2,0,0]=4 2789 B9R1.6 CN(C)C1CCCSC1 270004a_100102631434_100000057913 [0,2,0,0,0,0|2,0,0]=4 2790 B9R1.6 CN(C)C1CCNCC1 270004a_100102631434_100015192401 [0,2,0,0,0,0|2,0,0]=4 2791 B9R1.6 CN(C)C1CCOCC1 2230a_100020587155_200000210301 [0,2,0,0,0,0|2,0,0]=4 2792 B9R1.6 CN(C)C1CCOCC1 269982a_100020587155_200000210301 [0,2,0,0,0,0|2,0,0]=4 2793 B9R1.6 CN(C)C1CCOCC1 269982a_100102631434_100011324220 [0,2,0,0,0,0|2,0,0]=4 2794 B9R1.6 CN(C)C1CCOCC1 270004a_100102631434_100011217826 [0,2,0,0,0,0|2,0,0]=4 2795 B9R1.6 CN(C)C1CCOCC1 34a_100020587155_200000210301 [0,2,0,0,0,0|2,0,0]=4 2796 B9R1.6 CN(C)C1CCSCC1 2230a_100015184757_200000210301 [0,2,0,0,0,0|2,0,0]=4 2797 B9R1.6 CN(C)C1CCSCC1 269982a_100015184757_200000210301 [0,2,0,0,0,0|2,0,0]=4 2798 B9R1.6 CN(C)C1CCSCC1 269982a_100102631434_100000069128 [0,2,0,0,0,0|2,0,0]=4 2799 B9R1.6 CN(C)C1CCSCC1 270004a_100102631434_100000203788 [0,2,0,0,0,0|2,0,0]=4 2800 B9R1.6 CN(C)C1CCSCC1 34a_100015184757_200000210301 [0,2,0,0,0,0|2,0,0]=4 2801 B9R1.6 CN([13CH3])C1CCCCC1 2230a_100000207522_200025704644 [0,2,0,0,0,0|1,0,0]=3 2802 B9R1.6 CN([13CH3])C1CCCCC1 269982a_100000207522_200025704644 [0,2,0,0,0,0|1,0,0]=3 2803 B9R1.6 CN([13CH3])C1CCCCC1 34a_100000207522_200025704644 [0,2,0,0,0,0|1,0,0]=3 2804 B9R1.6 CN([13CH3])C1CCOCC1 2230a_100020587155_200025704644 [0,2,0,0,0,0|2,0,0]=4 2805 B9R1.6 CN([13CH3])C1CCOCC1 269982a_100020587155_200025704644 [0,2,0,0,0,0|2,0,0]=4 2806 B9R1.6 CN([13CH3])C1CCOCC1 34a_100020587155_200025704644 [0,2,0,0,0,0|2,0,0]=4 2807 B9R1.6 CN([13CH3])C1CCSCC1 2230a_100015184757_200025704644 [0,2,0,0,0,0|2,0,0]=4 2808 B9R1.6 CN([13CH3])C1CCSCC1 269982a_100015184757_200025704644 [0,2,0,0,0,0|2,0,0]=4 2809 B9R1.6 CN([13CH3])C1CCSCC1 34a_100015184757_200025704644 [0,2,0,0,0,0|2,0,0]=4 2810 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [0,2,0,0,0,0|0,0,1]=3 2811 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [0,2,0,0,0,0|1,0,1]=4 2812 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [0,2,0,0,0,0|1,0,1]=4 2813 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [0,2,0,0,0,0|1,0,1]=4 2814 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [0,2,0,0,0,0|1,0,1]=4 2815 B9R1.8 CCNC1CCCCC1 2230a_100000182618_100000210202 [0,2,0,0,0,0|1,0,0]=3 2816 B9R1.8 CCNC1CCCCC1 270004a_100015525214_100000210434 [0,2,0,0,0,0|1,0,0]=3 2817 B9R1.8 CCNC1CCCCC1 34a_100000182618_100000210202 [0,2,0,0,0,0|1,0,0]=3 2818 B9R1.8 CCNC1CCCOC1 2230a_100000719290_100000210202 [0,2,0,0,0,0|2,0,0]=4 2819 B9R1.8 CCNC1CCCOC1 270004a_100015525214_100000753404 [0,2,0,0,0,0|2,0,0]=4 2820 B9R1.8 CCNC1CCCOC1 34a_100000719290_100000210202 [0,2,0,0,0,0|2,0,0]=4 2821 B9R1.8 CCNC1CCCSC1 270004a_100015525214_100000057913 [0,2,0,0,0,0|2,0,0]=4 2822 B9R1.8 CCNC1CCNCC1 270004a_100015525214_100015192401 [0,2,0,0,0,0|2,0,0]=4 2823 B9R1.8 CCNC1CCOCC1 2230a_100000741149_100000210202 [0,2,0,0,0,0|2,0,0]=4 2824 B9R1.8 CCNC1CCOCC1 270004a_100015525214_100011217826 [0,2,0,0,0,0|2,0,0]=4 2825 B9R1.8 CCNC1CCOCC1 34a_100000741149_100000210202 [0,2,0,0,0,0|2,0,0]=4 2826 B9R1.8 CCNC1CCSCC1 2230a_100000748639_100000210202 [0,2,0,0,0,0|2,0,0]=4 2827 B9R1.8 CCNC1CCSCC1 270004a_100015525214_100000203788 [0,2,0,0,0,0|2,0,0]=4 2828 B9R1.8 CCNC1CCSCC1 34a_100000748639_100000210202 [0,2,0,0,0,0|2,0,0]=4 2829 B9R1.8 CCOC1C=CCCC1 34a_100011215024_100000210202 [0,2,0,0,0,0|0,0,2]=4 2830 B9R1.8 CCOC1CC=CCC1 34a_100000073881_100000210202 [0,2,0,0,0,0|0,0,2]=4 2831 B9R1.8 CCOC1CCCCC1 34a_100000210231_100000210202 [0,2,0,0,0,0|0,0,0]=2 2832 B9R1.8 CCOC1CCCCC1 34a_100121572206_100000210327 [0,2,0,0,0,0|0,0,0]=2 2833 B9R1.8 CCOC1CCCCC1 7a_100000210231_100000210202 [0,2,0,0,0,0|0,0,0]=2 2834 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [0,2,0,0,0,0|1,0,0]=3 2835 B9R1.8 CCOC1CCCOC1 34a_100000754041_100000210202 [0,2,0,0,0,0|1,0,0]=3 2836 B9R1.8 CCOC1CCCOC1 34a_100121572206_100000693364 [0,2,0,0,0,0|1,0,0]=3 2837 B9R1.8 CCOC1CCCSC1 7a_100015962668_100000210202 [0,2,0,0,0,0|1,0,0]=3 2838 B9R1.8 CCOC1CCOCC1 34a_100000744328_100000210202 [0,2,0,0,0,0|1,0,0]=3 2839 B9R1.8 CCOC1CCSCC1 34a_100000731022_100000210202 [0,2,0,0,0,0|1,0,0]=3 2840 B9R1.8 CCOC1CCSCC1 34a_100121572206_100000069128 [0,2,0,0,0,0|1,0,0]=3 2841 B9R1.8 CCOC1CCSCC1 7a_100000731022_100000210202 [0,2,0,0,0,0|1,0,0]=3 2842 B9R1.8 CCSC1CCCCC1 62a_100000210202_100000210327 [0,2,0,0,0,0|0,1,0]=3 2843 B9R1.8 CCSC1CCCCC1 62a_100000210327_100000210202 [0,2,0,0,0,0|0,1,0]=3 2844 B9R1.8 CCSC1CCCOC1 62a_100000210202_100000693364 [0,2,0,0,0,0|1,1,0]=4 2845 B9R1.8 CCSC1CCOCC1 62a_100000210202_100011324220 [0,2,0,0,0,0|1,1,0]=4 2846 B9R1.8 CCSC1CCSCC1 62a_100000210202_100000069128 [0,2,0,0,0,0|1,1,0]=4 2847 B9R1.8 CNCC1CCCCC1 2230a_100000210473_200000210301 [0,2,0,0,0,0|1,0,0]=3 2848 B9R1.8 CNCC1CCCCC1 2230a_106832991635_100000211423 [0,2,0,0,0,0|1,0,0]=3 2849 B9R1.8 CNCC1CCCCC1 269862a_106832991636_100000211278 [0,2,0,0,0,0|1,0,0]=3 2850 B9R1.8 CNCC1CCCCC1 34a_100000210473_200000210301 [0,2,0,0,0,0|1,0,0]=3 2851 B9R1.8 CNCC1CCCCC1 34a_100102657272_100000211423 [0,2,0,0,0,0|1,0,0]=3 2852 B9R1.8 CNCC1CCCCC1 7a_106832991635_100000211423 [0,2,0,0,0,0|1,0,0]=3 2853 B9R1.8 CNCC1CCCCO1 2230a_100000174945_200000210301 [0,2,0,0,0,0|2,0,0]=4 2854 B9R1.8 CNCC1CCCCO1 2230a_106832991635_100000211543 [0,2,0,0,0,0|2,0,0]=4 2855 B9R1.8 CNCC1CCCCO1 34a_100000174945_200000210301 [0,2,0,0,0,0|2,0,0]=4 2856 B9R1.8 CNCC1CCCCO1 34a_100102657272_100000211543 [0,2,0,0,0,0|2,0,0]=4 2857 B9R1.8 CNCC1CCCCO1 7a_106832991635_100000211543 [0,2,0,0,0,0|2,0,0]=4 2858 B9R1.8 CNCC1CCCOC1 2230a_100000720124_200000210301 [0,2,0,0,0,0|2,0,0]=4 2859 B9R1.8 CNCC1CCCOC1 2230a_106832991635_100000741521 [0,2,0,0,0,0|2,0,0]=4 2860 B9R1.8 CNCC1CCCOC1 34a_100000720124_200000210301 [0,2,0,0,0,0|2,0,0]=4 2861 B9R1.8 CNCC1CCCOC1 34a_100102657272_100000741521 [0,2,0,0,0,0|2,0,0]=4 2862 B9R1.8 CNCC1CCCOC1 7a_106832991635_100000741521 [0,2,0,0,0,0|2,0,0]=4 2863 B9R1.8 CNCC1CCOCC1 2230a_100000746373_200000210301 [0,2,0,0,0,0|2,0,0]=4 2864 B9R1.8 CNCC1CCOCC1 2230a_106832991635_100000754603 [0,2,0,0,0,0|2,0,0]=4 2865 B9R1.8 CNCC1CCOCC1 269862a_106832991636_100000749017 [0,2,0,0,0,0|2,0,0]=4 2866 B9R1.8 CNCC1CCOCC1 34a_100000746373_200000210301 [0,2,0,0,0,0|2,0,0]=4 2867 B9R1.8 CNCC1CCOCC1 34a_100102657272_100000754603 [0,2,0,0,0,0|2,0,0]=4 2868 B9R1.8 CNCC1CCOCC1 7a_106832991635_100000754603 [0,2,0,0,0,0|2,0,0]=4 2869 B9R1.8 CNCC1CCSCC1 2230a_100015188806_200000210301 [0,2,0,0,0,0|2,0,0]=4 2870 B9R1.8 CNCC1CCSCC1 269862a_106832991636_100000067145 [0,2,0,0,0,0|2,0,0]=4 2871 B9R1.8 CNCC1CCSCC1 270004a_106832991635_100000067145 [0,2,0,0,0,0|2,0,0]=4 2872 B9R1.8 CNCC1CCSCC1 34a_100015188806_200000210301 [0,2,0,0,0,0|2,0,0]=4 2873 B9R1.8 COCC1CC=CCC1 34a_100000210713_200000210301 [0,2,0,0,0,0|0,0,2]=4 2874 B9R1.8 COCC1CCCCC1 34a_100000212181_200000210301 [0,2,0,0,0,0|0,0,0]=2 2875 B9R1.8 COCC1CCCCC1 34a_100138415774_100000211423 [0,2,0,0,0,0|0,0,0]=2 2876 B9R1.8 COCC1CCCCC1 7a_100000212181_200000210301 [0,2,0,0,0,0|0,0,0]=2 2877 B9R1.8 COCC1CCCCN1 34a_100000210821_200000210301 [0,2,0,0,0,0|1,0,0]=3 2878 B9R1.8 COCC1CCCCO1 34a_100000211370_200000210301 [0,2,0,0,0,0|1,0,0]=3 2879 B9R1.8 COCC1CCCCO1 34a_100138415774_100000211543 [0,2,0,0,0,0|1,0,0]=3 2880 B9R1.8 COCC1CCCCO1 7a_100000211370_200000210301 [0,2,0,0,0,0|1,0,0]=3 2881 B9R1.8 COCC1CCCNC1 34a_100000211344_200000210301 [0,2,0,0,0,0|1,0,0]=3 2882 B9R1.8 COCC1CCCOC1 34a_100000741520_200000210301 [0,2,0,0,0,0|1,0,0]=3 2883 B9R1.8 COCC1CCCOC1 34a_100138415774_100000741521 [0,2,0,0,0,0|1,0,0]=3 2884 B9R1.8 COCC1CCNCC1 34a_100000738675_200000210301 [0,2,0,0,0,0|1,0,0]=3 2885 B9R1.8 COCC1CCOCC1 34a_100000749013_200000210301 [0,2,0,0,0,0|1,0,0]=3 2886 B9R1.8 COCC1CCOCC1 34a_100138415774_100000754603 [0,2,0,0,0,0|1,0,0]=3 2887 B9R1.8 COCC1CCSCC1 34a_100000070558_200000210301 [0,2,0,0,0,0|1,0,0]=3 2888 B9R1.8 COCC1CCSCC1 7a_100000070558_200000210301 [0,2,0,0,0,0|1,0,0]=3 2889 B9R1.8 COCN1CCCOC1 2230a_100000131196_100000766300 [0,2,0,0,0,0|2,0,0]=4 2890 B9R1.8 COCN1CCCOC1 269982a_100000131196_100000766300 [0,2,0,0,0,0|2,0,0]=4 2891 B9R1.8 COCN1CCOCC1 2230a_100015191051_100000766300 [0,2,0,0,0,0|2,0,0]=4 2892 B9R1.8 COCN1CCOCC1 269982a_100015191051_100000766300 [0,2,0,0,0,0|2,0,0]=4 2893 B9R1.8 COCN1CCSCC1 2230a_100000737611_100000766300 [0,2,0,0,0,0|2,0,0]=4 2894 B9R1.8 COCN1CCSCC1 269982a_100000737611_100000766300 [0,2,0,0,0,0|2,0,0]=4 2895 B9R1.8 COC[C@@H]1CNCCO1 34a_100015189573_200000210301 [0,2,0,0,0,0|2,0,0]=4 2896 B9R1.8 COC[C@@H]1COCCN1 34a_100000717676_200000210301 [0,2,0,0,0,0|2,0,0]=4 2897 B9R1.8 COC[C@H]1COCCO1 34a_100009875890_200000210301 [0,2,0,0,0,0|2,0,0]=4 2898 B9R1.8 CSCC1CCCCC1 62a_100000211423_200000210301 [0,2,0,0,0,0|0,1,0]=3 2899 B9R1.8 CSCC1CCCCC1 62a_200000210301_100000211423 [0,2,0,0,0,0|0,1,0]=3 2900 B9R1.8 CSCC1CCCCO1 62a_100000211543_200000210301 [0,2,0,0,0,0|1,1,0]=4 2901 B9R1.8 CSCC1CCCCO1 62a_200000210301_100000211543 [0,2,0,0,0,0|1,1,0]=4 2902 B9R1.8 CSCC1CCCOC1 62a_100000741521_200000210301 [0,2,0,0,0,0|1,1,0]=4 2903 B9R1.8 CSCC1CCCOC1 62a_200000210301_100000741521 [0,2,0,0,0,0|1,1,0]=4 2904 B9R1.8 CSCC1CCOCC1 62a_100000754603_200000210301 [0,2,0,0,0,0|1,1,0]=4 2905 B9R1.8 CSCC1CCOCC1 62a_200000210301_100000749018 [0,2,0,0,0,0|1,1,0]=4 2906 B9R1.8 FCNC1CCCCC1 34a_100000182618_100015361967 [0,2,0,0,0,0|1,0,0]=3 2907 B9R1.8 FCNC1CCCOC1 34a_100000719290_100015361967 [0,2,0,0,0,0|2,0,0]=4 2908 B9R1.8 FCNC1CCOCC1 34a_100000741149_100015361967 [0,2,0,0,0,0|2,0,0]=4 2909 B9R1.8 FCNC1CCSCC1 34a_100000748639_100015361967 [0,2,0,0,0,0|2,0,0]=4 2910 B9R1.8 FCOC1C=CCCC1 34a_100011215024_100015361967 [0,2,0,0,0,0|0,0,2]=4 2911 B9R1.8 FCOC1CC=CCC1 34a_100000073881_100015361967 [0,2,0,0,0,0|0,0,2]=4 2912 B9R1.8 FCOC1CCCCC1 34a_100000210231_100015361967 [0,2,0,0,0,0|0,0,0]=2 2913 B9R1.8 FCOC1CCCCC1 7a_100000210231_100015361967 [0,2,0,0,0,0|0,0,0]=2 2914 B9R1.8 FCOC1CCCCO1 34a_100000033831_100015361967 [0,2,0,0,0,0|1,0,0]=3 2915 B9R1.8 FCOC1CCCOC1 34a_100000754041_100015361967 [0,2,0,0,0,0|1,0,0]=3 2916 B9R1.8 FCOC1CCCSC1 7a_100015962668_100015361967 [0,2,0,0,0,0|1,0,0]=3 2917 B9R1.8 FCOC1CCOCC1 34a_100000744328_100015361967 [0,2,0,0,0,0|1,0,0]=3 2918 B9R1.8 FCOC1CCSCC1 34a_100000731022_100015361967 [0,2,0,0,0,0|1,0,0]=3 2919 B9R1.8 FCOC1CCSCC1 7a_100000731022_100015361967 [0,2,0,0,0,0|1,0,0]=3 2920 B9R1.8 FCSC1CCCCC1 62a_100000210327_100015361967 [0,2,0,0,0,0|0,1,0]=3 2921 B9R1.8 FCSC1CCCCC1 62a_100015361967_100000210327 [0,2,0,0,0,0|0,1,0]=3 2922 B9R1.8 FCSC1CCCOC1 62a_100015361967_100000693364 [0,2,0,0,0,0|1,1,0]=4 2923 B9R1.8 FCSC1CCOCC1 62a_100015361967_100011324220 [0,2,0,0,0,0|1,1,0]=4 2924 B9R1.8 FCSC1CCSCC1 62a_100015361967_100000069128 [0,2,0,0,0,0|1,1,0]=4 2925 B9R1.8 OCCN1CCCOC1 2230a_100000131196_100000211926 [0,2,0,0,0,0|2,0,0]=4 2926 B9R1.8 OCCN1CCCOC1 269982a_100000131196_100000211926 [0,2,0,0,0,0|2,0,0]=4 2927 B9R1.8 OCCN1CCCOC1 34a_100000131196_100000211926 [0,2,0,0,0,0|2,0,0]=4 2928 B9R1.8 OCCN1CCOCC1 2230a_100015191051_100000211926 [0,2,0,0,0,0|2,0,0]=4 2929 B9R1.8 OCCN1CCOCC1 269982a_100015191051_100000211926 [0,2,0,0,0,0|2,0,0]=4 2930 B9R1.8 OCCN1CCOCC1 34a_100015191051_100000211926 [0,2,0,0,0,0|2,0,0]=4 2931 B9R1.8 OCCN1CCSCC1 2230a_100000737611_100000211926 [0,2,0,0,0,0|2,0,0]=4 2932 B9R1.8 OCCN1CCSCC1 269982a_100000737611_100000211926 [0,2,0,0,0,0|2,0,0]=4 2933 B9R1.8 [13CH3]NCC1CCCCC1 2230a_100000210473_200025704644 [0,2,0,0,0,0|1,0,0]=3 2934 B9R1.8 [13CH3]NCC1CCCCC1 34a_100000210473_200025704644 [0,2,0,0,0,0|1,0,0]=3 2935 B9R1.8 [13CH3]NCC1CCCCO1 2230a_100000174945_200025704644 [0,2,0,0,0,0|2,0,0]=4 2936 B9R1.8 [13CH3]NCC1CCCCO1 34a_100000174945_200025704644 [0,2,0,0,0,0|2,0,0]=4 2937 B9R1.8 [13CH3]NCC1CCCOC1 2230a_100000720124_200025704644 [0,2,0,0,0,0|2,0,0]=4 2938 B9R1.8 [13CH3]NCC1CCCOC1 34a_100000720124_200025704644 [0,2,0,0,0,0|2,0,0]=4 2939 B9R1.8 [13CH3]NCC1CCOCC1 2230a_100000746373_200025704644 [0,2,0,0,0,0|2,0,0]=4 2940 B9R1.8 [13CH3]NCC1CCOCC1 34a_100000746373_200025704644 [0,2,0,0,0,0|2,0,0]=4 2941 B9R1.8 [13CH3]NCC1CCSCC1 2230a_100015188806_200025704644 [0,2,0,0,0,0|2,0,0]=4 2942 B9R1.8 [13CH3]NCC1CCSCC1 34a_100015188806_200025704644 [0,2,0,0,0,0|2,0,0]=4 2943 B9R1.8 [13CH3]OCC1CC=CCC1 34a_100000210713_200025704644 [0,2,0,0,0,0|0,0,2]=4 2944 B9R1.8 [13CH3]OCC1CCCCC1 34a_100000212181_200025704644 [0,2,0,0,0,0|0,0,0]=2 2945 B9R1.8 [13CH3]OCC1CCCCC1 7a_100000212181_200025704644 [0,2,0,0,0,0|0,0,0]=2 2946 B9R1.8 [13CH3]OCC1CCCCN1 34a_100000210821_200025704644 [0,2,0,0,0,0|1,0,0]=3 2947 B9R1.8 [13CH3]OCC1CCCCO1 34a_100000211370_200025704644 [0,2,0,0,0,0|1,0,0]=3 2948 B9R1.8 [13CH3]OCC1CCCCO1 7a_100000211370_200025704644 [0,2,0,0,0,0|1,0,0]=3 2949 B9R1.8 [13CH3]OCC1CCCNC1 34a_100000211344_200025704644 [0,2,0,0,0,0|1,0,0]=3 2950 B9R1.8 [13CH3]OCC1CCCOC1 34a_100000741520_200025704644 [0,2,0,0,0,0|1,0,0]=3 2951 B9R1.8 [13CH3]OCC1CCNCC1 34a_100000738675_200025704644 [0,2,0,0,0,0|1,0,0]=3 2952 B9R1.8 [13CH3]OCC1CCOCC1 34a_100000749013_200025704644 [0,2,0,0,0,0|1,0,0]=3 2953 B9R1.8 [13CH3]OCC1CCSCC1 34a_100000070558_200025704644 [0,2,0,0,0,0|1,0,0]=3 2954 B9R1.8 [13CH3]OCC1CCSCC1 7a_100000070558_200025704644 [0,2,0,0,0,0|1,0,0]=3 2955 B9R1.8 [13CH3]OC[C@@H]1CNCCO1 34a_100015189573_200025704644 [0,2,0,0,0,0|2,0,0]=4 2956 B9R1.8 [13CH3]OC[C@@H]1COCCN1 34a_100000717676_200025704644 [0,2,0,0,0,0|2,0,0]=4 2957 B9R1.8 [13CH3]OC[C@H]1COCCO1 34a_100009875890_200025704644 [0,2,0,0,0,0|2,0,0]=4 2958 B9R1.8 [13CH3]SCC1CCCCC1 62a_100000211423_200025704644 [0,2,0,0,0,0|0,1,0]=3 2959 B9R1.8 [13CH3]SCC1CCCCC1 62a_200025704644_100000211423 [0,2,0,0,0,0|0,1,0]=3 2960 B9R1.8 [13CH3]SCC1CCCCO1 62a_100000211543_200025704644 [0,2,0,0,0,0|1,1,0]=4 2961 B9R1.8 [13CH3]SCC1CCCCO1 62a_200025704644_100000211543 [0,2,0,0,0,0|1,1,0]=4 2962 B9R1.8 [13CH3]SCC1CCCOC1 62a_100000741521_200025704644 [0,2,0,0,0,0|1,1,0]=4 2963 B9R1.8 [13CH3]SCC1CCCOC1 62a_200025704644_100000741521 [0,2,0,0,0,0|1,1,0]=4 2964 B9R1.8 [13CH3]SCC1CCOCC1 62a_100000754603_200025704644 [0,2,0,0,0,0|1,1,0]=4 2965 B9R1.8 [13CH3]SCC1CCOCC1 62a_200025704644_100000749018 [0,2,0,0,0,0|1,1,0]=4 2966 B9R1.15 C#CC1CCCCN1C 2230a_200020621307_200000210301 [0,2,0,0,0,0|2,0,0]=4 2967 B9R1.15 C#CC1CCCCN1C 269982a_200020621307_200000210301 [0,2,0,0,0,0|2,0,0]=4 2968 B9R1.15 C#CC1CCCCN1C 34a_200020621307_200000210301 [0,2,0,0,0,0|2,0,0]=4 2969 B9R1.15 C#CC1CCCCN1[13CH3] 2230a_200020621307_200025704644 [0,2,0,0,0,0|2,0,0]=4 2970 B9R1.15 C#CC1CCCCN1[13CH3] 269982a_200020621307_200025704644 [0,2,0,0,0,0|2,0,0]=4 2971 B9R1.15 C#CC1CCCCN1[13CH3] 34a_200020621307_200025704644 [0,2,0,0,0,0|2,0,0]=4 2972 B9R1.15 CC1CCCCC1N[13CH3] 2230a_100000211402_200025704644 [0,2,0,0,0,0|1,0,0]=3 2973 B9R1.15 CC1CCCCC1N[13CH3] 34a_100000211402_200025704644 [0,2,0,0,0,0|1,0,0]=3 2974 B9R1.15 CC1CCCCC1O[13CH3] 34a_100000211207_200025704644 [0,2,0,0,0,0|0,0,0]=2 2975 B9R1.15 CC1CCCCC1O[13CH3] 7a_100000211207_200025704644 [0,2,0,0,0,0|0,0,0]=2 2976 B9R1.15 CC1CCCCN1CF 269982a_100000211376_100015361967 [0,2,0,0,0,0|2,0,0]=4 2977 B9R1.15 CC1CCCCN1CF 34a_100000211376_100015361967 [0,2,0,0,0,0|2,0,0]=4 2978 B9R1.15 CC1CCNCC1O[13CH3] 34a_100000696640_200025704644 [0,2,0,0,0,0|1,0,0]=3 2979 B9R1.15 CC1CNCCC1O[13CH3] 34a_100011998114_200025704644 [0,2,0,0,0,0|1,0,0]=3 2980 B9R1.15 CCC1CCCCN1C 2230a_100000210034_200000210301 [0,2,0,0,0,0|2,0,0]=4 2981 B9R1.15 CCC1CCCCN1C 269982a_100000210034_200000210301 [0,2,0,0,0,0|2,0,0]=4 2982 B9R1.15 CCC1CCCCN1C 34a_100000210034_200000210301 [0,2,0,0,0,0|2,0,0]=4 2983 B9R1.15 CCC1CCCCN1[13CH3] 2230a_100000210034_200025704644 [0,2,0,0,0,0|2,0,0]=4 2984 B9R1.15 CCC1CCCCN1[13CH3] 269982a_100000210034_200025704644 [0,2,0,0,0,0|2,0,0]=4 2985 B9R1.15 CCC1CCCCN1[13CH3] 34a_100000210034_200025704644 [0,2,0,0,0,0|2,0,0]=4 2986 B9R1.15 CCN1CCCCC1C 2230a_100000211376_100000210202 [0,2,0,0,0,0|2,0,0]=4 2987 B9R1.15 CCN1CCCCC1C 269982a_100000211376_100000204670 [0,2,0,0,0,0|2,0,0]=4 2988 B9R1.15 CCN1CCCCC1C 34a_100000211376_100000210202 [0,2,0,0,0,0|2,0,0]=4 2989 B9R1.15 CN1CCCCC1C#N 34a_100016989756_200000210301 [0,2,0,0,0,0|2,0,0]=4 2990 B9R1.15 CN1CCCCC1CO 2230a_100000210821_200000210301 [0,2,0,0,0,0|1,0,0]=3 2991 B9R1.15 CN1CCCCC1CO 269982a_100000210821_200000210301 [0,2,0,0,0,0|1,0,0]=3 2992 B9R1.15 CN1CCCCC1CO 34a_100000210821_200000210301 [0,2,0,0,0,0|1,0,0]=3 2993 B9R1.15 CN1CCOC[C@H]1CO 2230a_100000717676_200000210301 [0,2,0,0,0,0|2,0,0]=4 2994 B9R1.15 CN1CCOC[C@H]1CO 269982a_100000717676_200000210301 [0,2,0,0,0,0|2,0,0]=4 2995 B9R1.15 CN1CCOC[C@H]1CO 34a_100000717676_200000210301 [0,2,0,0,0,0|2,0,0]=4 2996 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [0,2,0,0,0,0|0,0,2]=4 2997 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [0,2,0,0,0,0|0,0,2]=4 2998 B9R1.15 CNC1CCCCC1C 2230a_100000211402_200000210301 [0,2,0,0,0,0|1,0,0]=3 2999 B9R1.15 CNC1CCCCC1C 269862a_106832991636_100000210921 [0,2,0,0,0,0|1,0,0]=3 3000 B9R1.15 CNC1CCCCC1C 270004a_106832991635_100000210921 [0,2,0,0,0,0|1,0,0]=3 3001 B9R1.15 CNC1CCCCC1C 34a_100000211402_200000210301 [0,2,0,0,0,0|1,0,0]=3 3002 B9R1.15 CNC1CCCCC1F 34a_100102657272_100015423560 [0,2,0,0,0,0|1,0,0]=3 3003 B9R1.15 CNC1CCCCC1O 34a_100102657272_100000038908 [0,2,0,0,0,0|0,0,0]=2 3004 B9R1.15 CNC1CCNCC1C 270004a_106832991635_100000703950 [0,2,0,0,0,0|2,0,0]=4 3005 B9R1.15 CNC1CCOCC1C 270004a_106832991635_100000755695 [0,2,0,0,0,0|2,0,0]=4 3006 B9R1.15 CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200000210301 [0,2,0,0,0,0|1,0,0]=3 3007 B9R1.15 CN[C@@H]1CCCC[C@H]1F 34a_100015195156_200000210301 [0,2,0,0,0,0|1,0,0]=3 3008 B9R1.15 CN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200000210301 [0,2,0,0,0,0|1,0,0]=3 3009 B9R1.15 CN[C@H]1CCOC[C@@H]1F 2230a_100016994078_200000210301 [0,2,0,0,0,0|2,0,0]=4 3010 B9R1.15 CN[C@H]1CCOC[C@@H]1F 34a_100016994078_200000210301 [0,2,0,0,0,0|2,0,0]=4 3011 B9R1.15 CN[C@H]1COCC[C@@H]1O 2230a_100015739063_200000210301 [0,2,0,0,0,0|1,0,0]=3 3012 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [0,2,0,0,0,0|0,0,1]=3 3013 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [0,2,0,0,0,0|0,0,1]=3 3014 B9R1.15 COC1CCCCC1C 34a_100000211207_200000210301 [0,2,0,0,0,0|0,0,0]=2 3015 B9R1.15 COC1CCCCC1C 7a_100000211207_200000210301 [0,2,0,0,0,0|0,0,0]=2 3016 B9R1.15 COC1CCCCC1Cl 34a_100000038908_200000210301 [0,2,0,0,0,0|0,0,0]=2 3017 B9R1.15 COC1CCCCC1Cl 7a_100000038908_200000210301 [0,2,0,0,0,0|0,0,0]=2 3018 B9R1.15 COC1CCCCC1F 34a_100138415774_100015423560 [0,2,0,0,0,0|0,0,0]=2 3019 B9R1.15 COC1CCCCC1O 34a_100138415774_100000038908 [0,2,0,0,0,0|0,0,0]=2 3020 B9R1.15 COC1CCCNC1=O 34a_100000073722_200000210301 [0,2,0,0,0,0|1,0,1]=4 3021 B9R1.15 COC1CCCNC1=O 34a_100138415774_100000687798 [0,2,0,0,0,0|1,0,1]=4 3022 B9R1.15 COC1CCNCC1C 34a_100011998114_200000210301 [0,2,0,0,0,0|1,0,0]=3 3023 B9R1.15 COC1CNCCC1C 34a_100000696640_200000210301 [0,2,0,0,0,0|1,0,0]=3 3024 B9R1.15 COC1COCCC1=O 34a_100138415774_100012180262 [0,2,0,0,0,0|1,0,1]=4 3025 B9R1.15 CO[C@@H]1CCCC[C@H]1F 34a_100009816020_200000210301 [0,2,0,0,0,0|0,0,0]=2 3026 B9R1.15 CO[C@@H]1CCCC[C@H]1F 7a_100009816020_200000210301 [0,2,0,0,0,0|0,0,0]=2 3027 B9R1.15 CO[C@@H]1CCNC[C@@H]1F 34a_200016994291_200000210301 [0,2,0,0,0,0|1,0,0]=3 3028 B9R1.15 CO[C@H]1CCCC[C@H]1N 34a_100015191688_200000210301 [0,2,0,0,0,0|0,0,0]=2 3029 B9R1.15 CO[C@H]1CCOC[C@@H]1N 34a_100015739063_200000210301 [0,2,0,0,0,0|1,0,0]=3 3030 B9R1.15 CO[C@H]1COCC[C@H]1N 34a_100016994285_200000210301 [0,2,0,0,0,0|1,0,0]=3 3031 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [0,2,0,0,0,0|0,0,2]=4 3032 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [0,2,0,0,0,0|0,0,2]=4 3033 B9R1.15 CSC1CCCCC1F 62a_100015423560_200000210301 [0,2,0,0,0,0|0,1,0]=3 3034 B9R1.15 CSC1CCCCC1F 62a_200000210301_100015423560 [0,2,0,0,0,0|0,1,0]=3 3035 B9R1.15 CSC1CCCCC1O 62a_100000038908_200000210301 [0,2,0,0,0,0|0,0,0]=2 3036 B9R1.15 CSC1CCCCC1O 62a_200000210301_100000038908 [0,2,0,0,0,0|0,0,0]=2 3037 B9R1.15 [13CH3]N1CCCCC1C#N 34a_100016989756_200025704644 [0,2,0,0,0,0|2,0,0]=4 3038 B9R1.15 [13CH3]N1CCCCC1CO 2230a_100000210821_200025704644 [0,2,0,0,0,0|1,0,0]=3 3039 B9R1.15 [13CH3]N1CCCCC1CO 269982a_100000210821_200025704644 [0,2,0,0,0,0|1,0,0]=3 3040 B9R1.15 [13CH3]N1CCCCC1CO 34a_100000210821_200025704644 [0,2,0,0,0,0|1,0,0]=3 3041 B9R1.15 [13CH3]N1CCOC[C@H]1CO 2230a_100000717676_200025704644 [0,2,0,0,0,0|2,0,0]=4 3042 B9R1.15 [13CH3]N1CCOC[C@H]1CO 269982a_100000717676_200025704644 [0,2,0,0,0,0|2,0,0]=4 3043 B9R1.15 [13CH3]N1CCOC[C@H]1CO 34a_100000717676_200025704644 [0,2,0,0,0,0|2,0,0]=4 3044 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 2230a_100015195156_200025704644 [0,2,0,0,0,0|1,0,0]=3 3045 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 34a_100015195156_200025704644 [0,2,0,0,0,0|1,0,0]=3 3046 B9R1.15 [13CH3]N[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200025704644 [0,2,0,0,0,0|1,0,0]=3 3047 B9R1.15 [13CH3]N[C@H]1CCOC[C@@H]1F 2230a_100016994078_200025704644 [0,2,0,0,0,0|2,0,0]=4 3048 B9R1.15 [13CH3]N[C@H]1CCOC[C@@H]1F 34a_100016994078_200025704644 [0,2,0,0,0,0|2,0,0]=4 3049 B9R1.15 [13CH3]N[C@H]1COCC[C@@H]1O 2230a_100015739063_200025704644 [0,2,0,0,0,0|1,0,0]=3 3050 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [0,2,0,0,0,0|0,0,1]=3 3051 B9R1.15 [13CH3]OC1CCCCC1Cl 34a_100000038908_200025704644 [0,2,0,0,0,0|0,0,0]=2 3052 B9R1.15 [13CH3]OC1CCCCC1Cl 7a_100000038908_200025704644 [0,2,0,0,0,0|0,0,0]=2 3053 B9R1.15 [13CH3]OC1CCCNC1=O 34a_100000073722_200025704644 [0,2,0,0,0,0|1,0,1]=4 3054 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 34a_100009816020_200025704644 [0,2,0,0,0,0|0,0,0]=2 3055 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 7a_100009816020_200025704644 [0,2,0,0,0,0|0,0,0]=2 3056 B9R1.15 [13CH3]O[C@@H]1CCNC[C@@H]1F 34a_200016994291_200025704644 [0,2,0,0,0,0|1,0,0]=3 3057 B9R1.15 [13CH3]O[C@H]1CCCC[C@H]1N 34a_100015191688_200025704644 [0,2,0,0,0,0|0,0,0]=2 3058 B9R1.15 [13CH3]O[C@H]1CCOC[C@@H]1N 34a_100015739063_200025704644 [0,2,0,0,0,0|1,0,0]=3 3059 B9R1.15 [13CH3]O[C@H]1COCC[C@H]1N 34a_100016994285_200025704644 [0,2,0,0,0,0|1,0,0]=3 3060 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [0,2,0,0,0,0|0,0,2]=4 3061 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [0,2,0,0,0,0|0,0,2]=4 3062 B9R1.15 [13CH3]SC1CCCCC1F 62a_100015423560_200025704644 [0,2,0,0,0,0|0,1,0]=3 3063 B9R1.15 [13CH3]SC1CCCCC1F 62a_200025704644_100015423560 [0,2,0,0,0,0|0,1,0]=3 3064 B9R1.15 [13CH3]SC1CCCCC1O 62a_100000038908_200025704644 [0,2,0,0,0,0|0,0,0]=2 3065 B9R1.15 [13CH3]SC1CCCCC1O 62a_200025704644_100000038908 [0,2,0,0,0,0|0,0,0]=2 3066 B9R1.118 CC1(CCCCC1)N[13CH3] 2230a_100000741114_200025704644 [0,2,0,0,0,0|1,0,0]=3 3067 B9R1.118 CC1(CCCCC1)N[13CH3] 34a_100000741114_200025704644 [0,2,0,0,0,0|1,0,0]=3 3068 B9R1.118 CC1(CCCCC1)O[13CH3] 34a_100011215885_200025704644 [0,2,0,0,0,0|0,0,0]=2 3069 B9R1.118 CC1(CCCCC1)O[13CH3] 7a_100011215885_200025704644 [0,2,0,0,0,0|0,0,0]=2 3070 B9R1.118 CC1(CCOCC1)N[13CH3] 2230a_100000692449_200025704644 [0,2,0,0,0,0|2,0,0]=4 3071 B9R1.118 CC1(CCOCC1)N[13CH3] 34a_100000692449_200025704644 [0,2,0,0,0,0|2,0,0]=4 3072 B9R1.118 CC1(CCOCC1)O[13CH3] 34a_100011827762_200025704644 [0,2,0,0,0,0|1,0,0]=3 3073 B9R1.118 CC1(CCOCC1)O[13CH3] 7a_100011827762_200025704644 [0,2,0,0,0,0|1,0,0]=3 3074 B9R1.118 CC1(CCSCC1)O[13CH3] 34a_200011004327_200025704644 [0,2,0,0,0,0|1,0,0]=3 3075 B9R1.118 CC1(CCSCC1)O[13CH3] 7a_200011004327_200025704644 [0,2,0,0,0,0|1,0,0]=3 3076 B9R1.118 CNC1(CCCCC1)C 2230a_100000741114_200000210301 [0,2,0,0,0,0|1,0,0]=3 3077 B9R1.118 CNC1(CCCCC1)C 34a_100000741114_200000210301 [0,2,0,0,0,0|1,0,0]=3 3078 B9R1.118 CNC1(CCOCC1)C 2230a_100000692449_200000210301 [0,2,0,0,0,0|2,0,0]=4 3079 B9R1.118 CNC1(CCOCC1)C 34a_100000692449_200000210301 [0,2,0,0,0,0|2,0,0]=4 3080 B9R1.118 COC1(CCCCC1)C 34a_100011215885_200000210301 [0,2,0,0,0,0|0,0,0]=2 3081 B9R1.118 COC1(CCCCC1)C 7a_100011215885_200000210301 [0,2,0,0,0,0|0,0,0]=2 3082 B9R1.118 COC1(CCOCC1)C 34a_100011827762_200000210301 [0,2,0,0,0,0|1,0,0]=3 3083 B9R1.118 COC1(CCOCC1)C 7a_100011827762_200000210301 [0,2,0,0,0,0|1,0,0]=3 3084 B9R1.118 COC1(CCSCC1)C 34a_200011004327_200000210301 [0,2,0,0,0,0|1,0,0]=3 3085 B9R1.118 COC1(CCSCC1)C 7a_200011004327_200000210301 [0,2,0,0,0,0|1,0,0]=3 3086 B9R1.10 CC1(CCN(CC1)[13CH3])C 2230a_100000750138_200025704644 [0,2,0,0,0,0|2,0,0]=4 3087 B9R1.10 CC1(CCN(CC1)[13CH3])C 269982a_100000750138_200025704644 [0,2,0,0,0,0|2,0,0]=4 3088 B9R1.10 CC1(CCN(CC1)[13CH3])O 2230a_100000690209_200025704644 [0,2,0,0,0,0|1,0,0]=3 3089 B9R1.10 CC1(CCN(CC1)[13CH3])O 269982a_100000690209_200025704644 [0,2,0,0,0,0|1,0,0]=3 3090 B9R1.10 CN1CCC(CC1)(C)C 2230a_100000750138_200000210301 [0,2,0,0,0,0|2,0,0]=4 3091 B9R1.10 CN1CCC(CC1)(C)C 269982a_100000750138_200000210301 [0,2,0,0,0,0|2,0,0]=4 3092 B9R1.10 CN1CCC(CC1)(C)O 2230a_100000690209_200000210301 [0,2,0,0,0,0|1,0,0]=3 3093 B9R1.10 CN1CCC(CC1)(C)O 269982a_100000690209_200000210301 [0,2,0,0,0,0|1,0,0]=3 3094 B9R1.10 CN1CCC(CC1)(F)F 2230a_100000724815_200000210301 [0,2,0,0,0,0|2,0,0]=4 3095 B9R1.10 CN1CCC(CC1)(F)F 269982a_100000724815_200000210301 [0,2,0,0,0,0|2,0,0]=4 3096 B9R1.10 CN1CCC(CC1)(F)F 34a_100000724815_200000210301 [0,2,0,0,0,0|2,0,0]=4 3097 B9R1.10 CN1CCC(CC1)(O)O 269982a_100016987284_200000210301 [0,2,0,0,0,0|1,0,0]=3 3098 B9R1.10 [13CH3]N1CCC(CC1)(F)F 2230a_100000724815_200025704644 [0,2,0,0,0,0|2,0,0]=4 3099 B9R1.10 [13CH3]N1CCC(CC1)(F)F 269982a_100000724815_200025704644 [0,2,0,0,0,0|2,0,0]=4 3100 B9R1.10 [13CH3]N1CCC(CC1)(F)F 34a_100000724815_200025704644 [0,2,0,0,0,0|2,0,0]=4 3101 B9R1.10 [13CH3]N1CCC(CC1)(O)O 269982a_100016987284_200025704644 [0,2,0,0,0,0|1,0,0]=3 3102 B9R1.69 CC1CCN(CC1O)C 2230a_100000696640_200000210301 [0,2,0,0,0,0|1,0,0]=3 3103 B9R1.69 CC1CCN(CC1O)C 269982a_100000696640_200000210301 [0,2,0,0,0,0|1,0,0]=3 3104 B9R1.69 CC1CCN(CC1O)[13CH3] 2230a_100000696640_200025704644 [0,2,0,0,0,0|1,0,0]=3 3105 B9R1.69 CC1CCN(CC1O)[13CH3] 269982a_100000696640_200025704644 [0,2,0,0,0,0|1,0,0]=3 3106 B9R1.69 CC1CN(CCC1O)C 2230a_100011998114_200000210301 [0,2,0,0,0,0|1,0,0]=3 3107 B9R1.69 CC1CN(CCC1O)C 269982a_100011998114_200000210301 [0,2,0,0,0,0|1,0,0]=3 3108 B9R1.69 CC1CN(CCC1O)[13CH3] 2230a_100011998114_200025704644 [0,2,0,0,0,0|1,0,0]=3 3109 B9R1.69 CC1CN(CCC1O)[13CH3] 269982a_100011998114_200025704644 [0,2,0,0,0,0|1,0,0]=3 3110 B9R1.69 CN1CC[C@H]([C@H](C1)F)O 2230a_200016994291_200000210301 [0,2,0,0,0,0|1,0,0]=3 3111 B9R1.69 CN1CC[C@H]([C@H](C1)F)O 269982a_200016994291_200000210301 [0,2,0,0,0,0|1,0,0]=3 3112 B9R1.69 CN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_200000210301 [0,2,0,0,0,0|1,0,0]=3 3113 B9R1.69 CN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_200000210301 [0,2,0,0,0,0|1,0,0]=3 3114 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)F)O 2230a_200016994291_200025704644 [0,2,0,0,0,0|1,0,0]=3 3115 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)F)O 269982a_200016994291_200025704644 [0,2,0,0,0,0|1,0,0]=3 3116 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)O)O 2230a_100000690696_200025704644 [0,2,0,0,0,0|1,0,0]=3 3117 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)O)O 269982a_100000690696_200025704644 [0,2,0,0,0,0|1,0,0]=3 3118 B9R1.3 CC1CCCC(N1C)C 2230a_100000210447_200000210301 [0,2,0,0,0,0|2,0,0]=4 3119 B9R1.3 CC1CCCC(N1C)C 269982a_100000210447_200000210301 [0,2,0,0,0,0|2,0,0]=4 3120 B9R1.3 CC1CCCC(N1C)C 34a_100000210447_200000210301 [0,2,0,0,0,0|2,0,0]=4 3121 B9R1.3 CC1CCCC(N1[13CH3])C 2230a_100000210447_200025704644 [0,2,0,0,0,0|2,0,0]=4 3122 B9R1.3 CC1CCCC(N1[13CH3])C 269982a_100000210447_200025704644 [0,2,0,0,0,0|2,0,0]=4 3123 B9R1.3 CC1CCCC(N1[13CH3])C 34a_100000210447_200025704644 [0,2,0,0,0,0|2,0,0]=4 3124 B9R1.34 CC1CC(CN(C1)C)C 2230a_100000210448_200000210301 [0,2,0,0,0,0|2,0,0]=4 3125 B9R1.34 CC1CC(CN(C1)C)C 269982a_100000210448_200000210301 [0,2,0,0,0,0|2,0,0]=4 3126 B9R1.34 CC1CC(CN(C1)C)C 34a_100000210448_200000210301 [0,2,0,0,0,0|2,0,0]=4 3127 B9R1.34 CC1CC(CN(C1)[13CH3])C 2230a_100000210448_200025704644 [0,2,0,0,0,0|2,0,0]=4 3128 B9R1.34 CC1CC(CN(C1)[13CH3])C 269982a_100000210448_200025704644 [0,2,0,0,0,0|2,0,0]=4 3129 B9R1.34 CC1CC(CN(C1)[13CH3])C 34a_100000210448_200025704644 [0,2,0,0,0,0|2,0,0]=4 3130 B9R1.66 CC1(CCCN(C1)[13CH3])C 2230a_100000716857_200025704644 [0,2,0,0,0,0|2,0,0]=4 3131 B9R1.66 CC1(CCCN(C1)[13CH3])C 269982a_100000716857_200025704644 [0,2,0,0,0,0|2,0,0]=4 3132 B9R1.66 CC1(CCCN(C1)[13CH3])C 34a_100000716857_200025704644 [0,2,0,0,0,0|2,0,0]=4 3133 B9R1.66 CC1(CCCN(C1)[13CH3])O 2230a_100000695535_200025704644 [0,2,0,0,0,0|1,0,0]=3 3134 B9R1.66 CC1(CCCN(C1)[13CH3])O 269982a_100000695535_200025704644 [0,2,0,0,0,0|1,0,0]=3 3135 B9R1.66 CN1CCCC(C1)(C)C 2230a_100000716857_200000210301 [0,2,0,0,0,0|2,0,0]=4 3136 B9R1.66 CN1CCCC(C1)(C)C 269982a_100000716857_200000210301 [0,2,0,0,0,0|2,0,0]=4 3137 B9R1.66 CN1CCCC(C1)(C)C 34a_100000716857_200000210301 [0,2,0,0,0,0|2,0,0]=4 3138 B9R1.66 CN1CCCC(C1)(C)O 2230a_100000695535_200000210301 [0,2,0,0,0,0|1,0,0]=3 3139 B9R1.66 CN1CCCC(C1)(C)O 269982a_100000695535_200000210301 [0,2,0,0,0,0|1,0,0]=3 3140 B9R1.66 CN1CCCC(C1)(F)F 2230a_100000732682_200000210301 [0,2,0,0,0,0|2,0,0]=4 3141 B9R1.66 CN1CCCC(C1)(F)F 269982a_100000732682_200000210301 [0,2,0,0,0,0|2,0,0]=4 3142 B9R1.66 CN1CCCC(C1)(F)F 34a_100000732682_200000210301 [0,2,0,0,0,0|2,0,0]=4 3143 B9R1.66 [13CH3]N1CCCC(C1)(F)F 2230a_100000732682_200025704644 [0,2,0,0,0,0|2,0,0]=4 3144 B9R1.66 [13CH3]N1CCCC(C1)(F)F 269982a_100000732682_200025704644 [0,2,0,0,0,0|2,0,0]=4 3145 B9R1.66 [13CH3]N1CCCC(C1)(F)F 34a_100000732682_200025704644 [0,2,0,0,0,0|2,0,0]=4 3146 B7R1.5 CC1CC1CO[13CH3] 34a_100000744939_200025704644 [0,0,1,1,0,0|2,0,0]=4 3147 B7R1.5 CC1CC1CO[13CH3] 7a_100000744939_200025704644 [0,0,1,1,0,0|2,0,0]=4 3148 B7R1.5 COCC1CC1C 34a_100000744939_200000210301 [0,0,1,1,0,0|2,0,0]=4 3149 B7R1.5 COCC1CC1C 7a_100000744939_200000210301 [0,0,1,1,0,0|2,0,0]=4 3150 B7R1.6 CCCN1CCC1 269982a_100000754969_100000210303 [0,0,1,1,0,0|2,0,0]=4 3151 B7R1.6 CCNC1CCC1 2230a_100000749019_100000210202 [0,0,1,1,0,0|2,0,0]=4 3152 B7R1.6 CCNC1CCC1 270004a_100015525214_100000241760 [0,0,1,1,0,0|2,0,0]=4 3153 B7R1.6 CCNC1CCC1 34a_100000749019_100000210202 [0,0,1,1,0,0|2,0,0]=4 3154 B7R1.6 CCOC1CCC1 34a_100000748187_100000210202 [0,0,1,1,0,0|2,0,0]=4 3155 B7R1.6 CCOC1CCC1 34a_100121572206_100000749161 [0,0,1,1,0,0|2,0,0]=4 3156 B7R1.6 CCSC1CCC1 62a_100000210202_100000749161 [0,0,1,1,0,0|2,0,0]=4 3157 B7R1.6 CNCC1CCC1 2230a_100000738700_200000210301 [0,0,1,1,0,0|2,0,0]=4 3158 B7R1.6 CNCC1CCC1 2230a_106832991635_100000763275 [0,0,1,1,0,0|2,0,0]=4 3159 B7R1.6 CNCC1CCC1 269862a_106832991636_100000753134 [0,0,1,1,0,0|2,0,0]=4 3160 B7R1.6 CNCC1CCC1 34a_100000738700_200000210301 [0,0,1,1,0,0|2,0,0]=4 3161 B7R1.6 CNCC1CCC1 34a_100102657272_100000763275 [0,0,1,1,0,0|2,0,0]=4 3162 B7R1.6 CNCC1CCC1 7a_106832991635_100000763275 [0,0,1,1,0,0|2,0,0]=4 3163 B7R1.6 CNCC1CCO1 2230a_106832991635_100000103362 [0,0,1,1,0,0|1,0,0]=3 3164 B7R1.6 CNCC1CCO1 34a_100102657272_100000103362 [0,0,1,1,0,0|1,0,0]=3 3165 B7R1.6 CNCC1CCO1 7a_106832991635_100000103362 [0,0,1,1,0,0|1,0,0]=3 3166 B7R1.6 CNC[C@@H]1CCO1 2230a_100020831831_200000210301 [0,0,1,1,0,0|1,0,0]=3 3167 B7R1.6 CNC[C@@H]1CCO1 34a_100020831831_200000210301 [0,0,1,1,0,0|1,0,0]=3 3168 B7R1.6 COCC1CCC1 34a_100000760304_200000210301 [0,0,1,1,0,0|2,0,0]=4 3169 B7R1.6 COCC1CCC1 34a_100138415774_100000763275 [0,0,1,1,0,0|2,0,0]=4 3170 B7R1.6 COCC1CCO1 34a_100000039022_200000210301 [0,0,1,1,0,0|1,0,0]=3 3171 B7R1.6 COCC1CCO1 34a_100138415774_100000103362 [0,0,1,1,0,0|1,0,0]=3 3172 B7R1.6 CSCC1CCC1 62a_100000763275_200000210301 [0,0,1,1,0,0|2,0,0]=4 3173 B7R1.6 CSCC1CCC1 62a_200000210301_100000763275 [0,0,1,1,0,0|2,0,0]=4 3174 B7R1.6 CSCC1CCO1 62a_100000103362_200000210301 [0,0,1,1,0,0|1,0,0]=3 3175 B7R1.6 CSCC1CCO1 62a_200000210301_100000103362 [0,0,1,1,0,0|1,0,0]=3 3176 B7R1.6 [13CH3]NCC1CCC1 2230a_100000738700_200025704644 [0,0,1,1,0,0|2,0,0]=4 3177 B7R1.6 [13CH3]NCC1CCC1 34a_100000738700_200025704644 [0,0,1,1,0,0|2,0,0]=4 3178 B7R1.6 [13CH3]NC[C@@H]1CCO1 2230a_100020831831_200025704644 [0,0,1,1,0,0|1,0,0]=3 3179 B7R1.6 [13CH3]NC[C@@H]1CCO1 34a_100020831831_200025704644 [0,0,1,1,0,0|1,0,0]=3 3180 B7R1.6 [13CH3]OCC1CCC1 34a_100000760304_200025704644 [0,0,1,1,0,0|2,0,0]=4 3181 B7R1.6 [13CH3]OCC1CCO1 34a_100000039022_200025704644 [0,0,1,1,0,0|1,0,0]=3 3182 B7R1.6 [13CH3]SCC1CCC1 62a_100000763275_200025704644 [0,0,1,1,0,0|2,0,0]=4 3183 B7R1.6 [13CH3]SCC1CCC1 62a_200025704644_100000763275 [0,0,1,1,0,0|2,0,0]=4 3184 B7R1.6 [13CH3]SCC1CCO1 62a_100000103362_200025704644 [0,0,1,1,0,0|1,0,0]=3 3185 B7R1.6 [13CH3]SCC1CCO1 62a_200025704644_100000103362 [0,0,1,1,0,0|1,0,0]=3 3186 B7R1.8 CCN1CCC1C 269982a_100000755817_100000204670 [0,0,1,1,0,0|2,0,0]=4 3187 B7R1.8 CCN1CCC1C 34a_100000755817_100000210202 [0,0,1,1,0,0|2,0,0]=4 3188 B7R1.10 CCC1CN(C1)C 2230a_100015205115_200000210301 [0,0,1,1,0,0|2,0,0]=4 3189 B7R1.10 CCC1CN(C1)C 269982a_100015205115_200000210301 [0,0,1,1,0,0|2,0,0]=4 3190 B7R1.10 CCC1CN(C1)[13CH3] 2230a_100015205115_200025704644 [0,0,1,1,0,0|2,0,0]=4 3191 B7R1.10 CCC1CN(C1)[13CH3] 269982a_100015205115_200025704644 [0,0,1,1,0,0|2,0,0]=4 3192 B7R1.10 CCN1CC(C1)C 2230a_100000702820_100000210202 [0,0,1,1,0,0|2,0,0]=4 3193 B7R1.10 CCN1CC(C1)C 269982a_100000702820_100000204670 [0,0,1,1,0,0|2,0,0]=4 3194 B7R1.10 CCN1CC(C1)C 34a_100000702820_100000210202 [0,0,1,1,0,0|2,0,0]=4 3195 B7R1.15 C[C@H]1[C@H](CN1C)O 2230a_206633788156_200000210301 [0,0,1,1,0,0|1,0,0]=3 3196 B7R1.15 C[C@H]1[C@H](CN1C)O 269982a_206633788156_200000210301 [0,0,1,1,0,0|1,0,0]=3 3197 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 2230a_206633788156_200025704644 [0,0,1,1,0,0|1,0,0]=3 3198 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 269982a_206633788156_200025704644 [0,0,1,1,0,0|1,0,0]=3 3199 B7R1.21 CC1(CC1)CN[13CH3] 2230a_100000766693_200025704644 [0,0,1,1,0,0|2,0,0]=4 3200 B7R1.21 CC1(CC1)CO[13CH3] 7a_100000698024_200025704644 [0,0,1,1,0,0|2,0,0]=4 3201 B7R1.21 CCNC1(CC1)C 2230a_100000757604_100000210202 [0,0,1,1,0,0|2,0,0]=4 3202 B7R1.21 CCOC1(CC1)C 7a_100011725673_100000210202 [0,0,1,1,0,0|2,0,0]=4 3203 B7R1.21 CNCC1(CC1)C 2230a_100000766693_200000210301 [0,0,1,1,0,0|2,0,0]=4 3204 B7R1.21 CNCC1(CC1)O 2230a_100011936951_200000210301 [0,0,1,1,0,0|1,0,0]=3 3205 B7R1.21 COCC1(CC1)C 7a_100000698024_200000210301 [0,0,1,1,0,0|2,0,0]=4 3206 B7R1.21 COCC1(CC1)F 34a_200000703853_200000210301 [0,0,1,1,0,0|2,0,0]=4 3207 B7R1.21 COCC1(CC1)F 7a_200000703853_200000210301 [0,0,1,1,0,0|2,0,0]=4 3208 B7R1.21 [13CH3]NCC1(CC1)O 2230a_100011936951_200025704644 [0,0,1,1,0,0|1,0,0]=3 3209 B7R1.21 [13CH3]OCC1(CC1)F 34a_200000703853_200025704644 [0,0,1,1,0,0|2,0,0]=4 3210 B7R1.21 [13CH3]OCC1(CC1)F 7a_200000703853_200025704644 [0,0,1,1,0,0|2,0,0]=4 3211 B7R1.22 CC(N[13CH3])C1CC1 2230a_100000700016_200025704644 [0,0,1,1,0,0|2,0,0]=4 3212 B7R1.22 CC(N[13CH3])C1CC1 34a_100000700016_200025704644 [0,0,1,1,0,0|2,0,0]=4 3213 B7R1.22 CC(O[13CH3])C1CC1 34a_100000744524_200025704644 [0,0,1,1,0,0|2,0,0]=4 3214 B7R1.22 CC(O[13CH3])C1CC1 7a_100000744524_200025704644 [0,0,1,1,0,0|2,0,0]=4 3215 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [0,0,1,1,0,0|0,0,2]=4 3216 B7R1.22 CCN(C)C1CC1 2230a_100000226674_100000210202 [0,0,1,1,0,0|2,0,0]=4 3217 B7R1.22 CCN(C)C1CC1 2230a_100000738653_200000210301 [0,0,1,1,0,0|2,0,0]=4 3218 B7R1.22 CCN(C)C1CC1 269982a_100000225621_100000211595 [0,0,1,1,0,0|2,0,0]=4 3219 B7R1.22 CCN(C)C1CC1 269982a_100000226674_100000204670 [0,0,1,1,0,0|2,0,0]=4 3220 B7R1.22 CCN(C)C1CC1 269982a_100000738653_200000210301 [0,0,1,1,0,0|2,0,0]=4 3221 B7R1.22 CCN([13CH3])C1CC1 2230a_100000738653_200025704644 [0,0,1,1,0,0|2,0,0]=4 3222 B7R1.22 CCN([13CH3])C1CC1 269982a_100000738653_200025704644 [0,0,1,1,0,0|2,0,0]=4 3223 B7R1.22 CNC(C)C1CC1 2230a_100000700016_200000210301 [0,0,1,1,0,0|2,0,0]=4 3224 B7R1.22 CNC(C)C1CC1 269862a_106832991636_100000210639 [0,0,1,1,0,0|2,0,0]=4 3225 B7R1.22 CNC(C)C1CC1 34a_100000700016_200000210301 [0,0,1,1,0,0|2,0,0]=4 3226 B7R1.22 COC(C)C1CC1 34a_100000744524_200000210301 [0,0,1,1,0,0|2,0,0]=4 3227 B7R1.22 COC(C)C1CC1 7a_100000744524_200000210301 [0,0,1,1,0,0|2,0,0]=4 3228 B7R1.25 CC1(CCC1)N[13CH3] 2230a_100000692455_200025704644 [0,0,1,1,0,0|2,0,0]=4 3229 B7R1.25 CC1(CCC1)N[13CH3] 34a_100000692455_200025704644 [0,0,1,1,0,0|2,0,0]=4 3230 B7R1.25 CC1(CCC1)O[13CH3] 34a_100000759064_200025704644 [0,0,1,1,0,0|2,0,0]=4 3231 B7R1.25 CC1(CCC1)O[13CH3] 7a_100000759064_200025704644 [0,0,1,1,0,0|2,0,0]=4 3232 B7R1.25 CNC1(CCC1)C 2230a_100000692455_200000210301 [0,0,1,1,0,0|2,0,0]=4 3233 B7R1.25 CNC1(CCC1)C 34a_100000692455_200000210301 [0,0,1,1,0,0|2,0,0]=4 3234 B7R1.25 COC1(CCC1)C 34a_100000759064_200000210301 [0,0,1,1,0,0|2,0,0]=4 3235 B7R1.25 COC1(CCC1)C 7a_100000759064_200000210301 [0,0,1,1,0,0|2,0,0]=4 3236 B7R1.7 CCCNC1CC1 34a_100000212008_100000210303 [0,0,1,1,0,0|2,0,0]=4 3237 B7R1.7 CCCOC1CC1 34a_100000210258_100000211595 [0,0,1,1,0,0|2,0,0]=4 3238 B7R1.7 CCCSC1CC1 62a_100000210303_100000211595 [0,0,1,1,0,0|2,0,0]=4 3239 B7R1.7 CCNCC1CC1 2230a_100000735609_100000210202 [0,0,1,1,0,0|2,0,0]=4 3240 B7R1.7 CCNCC1CC1 2230a_100015525214_100000742324 [0,0,1,1,0,0|2,0,0]=4 3241 B7R1.7 CCNCC1CC1 269862a_100015525214_100000741477 [0,0,1,1,0,0|2,0,0]=4 3242 B7R1.7 CCNCC1CC1 34a_100000735609_100000210202 [0,0,1,1,0,0|2,0,0]=4 3243 B7R1.7 CCNCC1CO1 2230a_100015525214_100011216344 [0,0,1,1,0,0|1,0,0]=3 3244 B7R1.7 CCOCC1CC1 34a_100000211283_100000210202 [0,0,1,1,0,0|2,0,0]=4 3245 B7R1.7 CCOCC1CC1 34a_100121572206_100000742324 [0,0,1,1,0,0|2,0,0]=4 3246 B7R1.7 CCOCC1CO1 34a_100121572206_102125554688 [0,0,1,1,0,0|1,0,0]=3 3247 B7R1.7 CCOC[C@@H]1CO1 34a_100000757423_100000210202 [0,0,1,1,0,0|1,0,0]=3 3248 B7R1.7 CCSCC1CC1 62a_100000210202_100000742324 [0,0,1,1,0,0|2,0,0]=4 3249 B7R1.7 CCSCC1CC1 62a_100000756562_100000210202 [0,0,1,1,0,0|2,0,0]=4 3250 B7R1.7 CCSCC1CO1 62a_100000210202_102125554688 [0,0,1,1,0,0|1,0,0]=3 3251 B7R1.7 CCSCC1CO1 62a_102125554688_100000210202 [0,0,1,1,0,0|1,0,0]=3 3252 B7R1.7 CCSCC1CS1 62a_100000031435_100000210202 [0,0,1,1,0,0|1,1,0]=4 3253 B7R1.7 CCSCC1CS1 62a_100000210202_100000031435 [0,0,1,1,0,0|1,1,0]=4 3254 B7R1.7 CCSC[C@@H]1CO1 62a_100000210202_100000745022 [0,0,1,1,0,0|1,0,0]=3 3255 B7R1.7 CCSC[C@@H]1CO1 62a_100000745022_100000210202 [0,0,1,1,0,0|1,0,0]=3 3256 B7R1.7 CNCCC1CC1 2230a_106832991635_100000694398 [0,0,1,1,0,0|2,0,0]=4 3257 B7R1.7 CNCCC1CC1 34a_100000764129_200000210301 [0,0,1,1,0,0|2,0,0]=4 3258 B7R1.7 CNCCC1CC1 34a_100102657272_100000694398 [0,0,1,1,0,0|2,0,0]=4 3259 B7R1.7 CNCCC1CC1 7a_106832991635_100000764125 [0,0,1,1,0,0|2,0,0]=4 3260 B7R1.7 CNCCC1CO1 2230a_106832991635_100000732470 [0,0,1,1,0,0|1,0,0]=3 3261 B7R1.7 CNCCC1CO1 34a_100102657272_100000732470 [0,0,1,1,0,0|1,0,0]=3 3262 B7R1.7 CNCCC1CO1 7a_106832991635_100000732470 [0,0,1,1,0,0|1,0,0]=3 3263 B7R1.7 COCCC1CC1 34a_100000754188_200000210301 [0,0,1,1,0,0|2,0,0]=4 3264 B7R1.7 COCCC1CC1 34a_100138415774_100000694398 [0,0,1,1,0,0|2,0,0]=4 3265 B7R1.7 COCCC1CC1 7a_100000754188_200000210301 [0,0,1,1,0,0|2,0,0]=4 3266 B7R1.7 COCCC1CO1 34a_100138415774_100000732470 [0,0,1,1,0,0|1,0,0]=3 3267 B7R1.7 COCC[C@@H]1CO1 34a_100009820653_200000210301 [0,0,1,1,0,0|1,0,0]=3 3268 B7R1.7 CSCCC1CC1 62a_100000764125_200000210301 [0,0,1,1,0,0|2,0,0]=4 3269 B7R1.7 CSCCC1CC1 62a_200000210301_100000764125 [0,0,1,1,0,0|2,0,0]=4 3270 B7R1.7 CSCCC1CO1 62a_100000732470_200000210301 [0,0,1,1,0,0|1,0,0]=3 3271 B7R1.7 CSCCC1CO1 62a_200000210301_100000732470 [0,0,1,1,0,0|1,0,0]=3 3272 B7R1.7 FCOC[C@@H]1CO1 34a_100000757423_100015361967 [0,0,1,1,0,0|2,0,0]=4 3273 B7R1.7 FCSCC1CO1 62a_100015361967_102125554688 [0,0,1,1,0,0|2,0,0]=4 3274 B7R1.7 FCSCC1CO1 62a_102125554688_100015361967 [0,0,1,1,0,0|2,0,0]=4 3275 B7R1.7 FCSC[C@@H]1CO1 62a_100000745022_100015361967 [0,0,1,1,0,0|2,0,0]=4 3276 B7R1.7 FCSC[C@@H]1CO1 62a_100015361967_100000745022 [0,0,1,1,0,0|2,0,0]=4 3277 B7R1.7 [13CH3]NCCC1CC1 34a_100000764129_200025704644 [0,0,1,1,0,0|2,0,0]=4 3278 B7R1.7 [13CH3]OCCC1CC1 34a_100000754188_200025704644 [0,0,1,1,0,0|2,0,0]=4 3279 B7R1.7 [13CH3]OCCC1CC1 7a_100000754188_200025704644 [0,0,1,1,0,0|2,0,0]=4 3280 B7R1.7 [13CH3]OCC[C@@H]1CO1 34a_100009820653_200025704644 [0,0,1,1,0,0|1,0,0]=3 3281 B7R1.7 [13CH3]SCCC1CC1 62a_100000764125_200025704644 [0,0,1,1,0,0|2,0,0]=4 3282 B7R1.7 [13CH3]SCCC1CC1 62a_200025704644_100000764125 [0,0,1,1,0,0|2,0,0]=4 3283 B7R1.7 [13CH3]SCCC1CO1 62a_100000732470_200025704644 [0,0,1,1,0,0|1,0,0]=3 3284 B7R1.7 [13CH3]SCCC1CO1 62a_200025704644_100000732470 [0,0,1,1,0,0|1,0,0]=3 3285 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [0,0,1,1,0,0|0,0,2]=4 3286 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [0,0,1,1,0,0|0,0,2]=4 3287 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [0,0,1,1,0,0|0,0,2]=4 3288 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [0,0,1,1,0,0|0,0,2]=4 3289 B7R1.18 CC(C)N1CCC1 269982a_100000754969_100000210206 [0,0,1,1,0,0|2,0,0]=4 3290 B7R1.18 CN(C)C1CCC1 2230a_100000758072_200000210301 [0,0,1,1,0,0|2,0,0]=4 3291 B7R1.18 CN(C)C1CCC1 269982a_100000758072_200000210301 [0,0,1,1,0,0|2,0,0]=4 3292 B7R1.18 CN(C)C1CCC1 269982a_100102631434_100000749161 [0,0,1,1,0,0|2,0,0]=4 3293 B7R1.18 CN(C)C1CCC1 270004a_100102631434_100000241760 [0,0,1,1,0,0|2,0,0]=4 3294 B7R1.18 CN(C)C1CCC1 34a_100000758072_200000210301 [0,0,1,1,0,0|2,0,0]=4 3295 B7R1.18 CN([13CH3])C1CCC1 2230a_100000758072_200025704644 [0,0,1,1,0,0|2,0,0]=4 3296 B7R1.18 CN([13CH3])C1CCC1 269982a_100000758072_200025704644 [0,0,1,1,0,0|2,0,0]=4 3297 B7R1.18 CN([13CH3])C1CCC1 34a_100000758072_200025704644 [0,0,1,1,0,0|2,0,0]=4 3298 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [0,0,1,1,0,0|0,0,2]=4 3299 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [0,0,1,1,0,0|0,0,2]=4 3300 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [0,0,1,1,0,0|0,0,2]=4 3301 B7R1.20 CC(C)NC1CC1 34a_100000212008_100000210206 [0,0,1,1,0,0|2,0,0]=4 3302 B7R1.20 CC(C)NC1CC1 34a_100138425928_100000211595 [0,0,1,1,0,0|2,0,0]=4 3303 B7R1.20 CC(C)OC1CC1 34a_100000212225_100000211595 [0,0,1,1,0,0|2,0,0]=4 3304 B7R1.20 CC(C)SC1CC1 62a_100000210206_100000211595 [0,0,1,1,0,0|2,0,0]=4 3305 B7R1.20 CN(C)CC1CC1 2230a_100000741881_200000210301 [0,0,1,1,0,0|2,0,0]=4 3306 B7R1.20 CN(C)CC1CC1 2230a_100102631434_100000742324 [0,0,1,1,0,0|2,0,0]=4 3307 B7R1.20 CN(C)CC1CC1 269982a_100000741881_200000210301 [0,0,1,1,0,0|2,0,0]=4 3308 B7R1.20 CN(C)CC1CC1 269982a_100102631434_100000756562 [0,0,1,1,0,0|2,0,0]=4 3309 B7R1.20 CN([13CH3])CC1CC1 2230a_100000741881_200025704644 [0,0,1,1,0,0|2,0,0]=4 3310 B7R1.20 CN([13CH3])CC1CC1 269982a_100000741881_200025704644 [0,0,1,1,0,0|2,0,0]=4 3311 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [0,0,1,1,0,0|0,0,2]=4 3312 B9R2.24 CN1C2CCC1CC2 2230a_100000735658_200000210301 [0,1,0,1,0,0|1,0,0]=3 3313 B9R2.24 CN1C2CCC1CC2 269982a_100000735658_200000210301 [0,1,0,1,0,0|1,0,0]=3 3314 B9R2.24 CN1C2CCC1CC2 34a_100000735658_200000210301 [0,1,0,1,0,0|1,0,0]=3 3315 B9R2.24 [13CH3]N1C2CCC1CC2 2230a_100000735658_200025704644 [0,1,0,1,0,0|1,0,0]=3 3316 B9R2.24 [13CH3]N1C2CCC1CC2 269982a_100000735658_200025704644 [0,1,0,1,0,0|1,0,0]=3 3317 B9R2.24 [13CH3]N1C2CCC1CC2 34a_100000735658_200025704644 [0,1,0,1,0,0|1,0,0]=3 3318 B9R2.47 CCN1CC2CC2C1 2230a_100000741873_100000210202 [0,1,0,1,0,0|2,0,0]=4 3319 B9R2.47 CCN1CC2CC2C1 269982a_100000741873_100000204670 [0,1,0,1,0,0|2,0,0]=4 3320 B9R2.47 CCN1CC2CC2C1 34a_100000741873_100000210202 [0,1,0,1,0,0|2,0,0]=4 3321 B9R2.47 CNC1CC2CC2C1 270004a_106832991635_100010340937 [0,1,0,1,0,0|1,0,0]=3 3322 B9R2.47 FCN1CC2CC2C1 269982a_100000741873_100015361967 [0,1,0,1,0,0|2,0,0]=4 3323 B9R2.47 FCN1CC2CC2C1 34a_100000741873_100015361967 [0,1,0,1,0,0|2,0,0]=4 3324 B9R2.65 CNC1C2C1COC2 2230a_100000702821_200000210301 [0,1,0,1,0,0|2,0,0]=4 3325 B9R2.65 CNC1C2C1COC2 34a_100000702821_200000210301 [0,1,0,1,0,0|2,0,0]=4 3326 B9R2.65 [13CH3]NC1C2C1COC2 2230a_100000702821_200025704644 [0,1,0,1,0,0|2,0,0]=4 3327 B9R2.65 [13CH3]NC1C2C1COC2 34a_100000702821_200025704644 [0,1,0,1,0,0|2,0,0]=4 3328 B9R2.70 CNC1CCC2C1C2 269862a_106832991636_100000692480 [0,1,0,1,0,0|1,0,0]=3 3329 B9R2.70 CNC1CCC2C1C2 270004a_106832991635_100000692480 [0,1,0,1,0,0|1,0,0]=3 3330 B9R2.70 COC1CCC2C1C2 34a_200012295571_200000210301 [0,1,0,1,0,0|0,0,0]=2 3331 B9R2.70 [13CH3]OC1CCC2C1C2 34a_200012295571_200025704644 [0,1,0,1,0,0|0,0,0]=2 3332 B9R2.39 CN1CC2CCC1C2 2230a_100000743476_200000210301 [0,1,0,1,0,0|2,0,0]=4 3333 B9R2.39 CN1CC2CCC1C2 269982a_100000743476_200000210301 [0,1,0,1,0,0|2,0,0]=4 3334 B9R2.39 CN1CC2CCC1C2 34a_100000743476_200000210301 [0,1,0,1,0,0|2,0,0]=4 3335 B9R2.39 [13CH3]N1CC2CCC1C2 2230a_100000743476_200025704644 [0,1,0,1,0,0|2,0,0]=4 3336 B9R2.39 [13CH3]N1CC2CCC1C2 269982a_100000743476_200025704644 [0,1,0,1,0,0|2,0,0]=4 3337 B9R2.39 [13CH3]N1CC2CCC1C2 34a_100000743476_200025704644 [0,1,0,1,0,0|2,0,0]=4 3338 B5R1.2 CN1CCC1 269982a_100000754969_200000210301 [0,0,0,0,2,0|2,0,0]=4 3339 B5R1.2 [13CH3]N1CCC1 269982a_100000754969_200025704644 [0,0,0,0,2,0|2,0,0]=4 3340 B9R1.50 CN1CCCCCCC1 2230a_100000211400_200000210301 [0,0,0,0,0,2|2,0,0]=4 3341 B9R1.50 CN1CCCCCCC1 269982a_100000211400_200000210301 [0,0,0,0,0,2|2,0,0]=4 3342 B9R1.50 CN1CCCCCCC1 34a_100000211400_200000210301 [0,0,0,0,0,2|2,0,0]=4 3343 B9R1.50 [13CH3]N1CCCCCCC1 2230a_100000211400_200025704644 [0,0,0,0,0,2|2,0,0]=4 3344 B9R1.50 [13CH3]N1CCCCCCC1 269982a_100000211400_200025704644 [0,0,0,0,0,2|2,0,0]=4 3345 B9R1.50 [13CH3]N1CCCCCCC1 34a_100000211400_200025704644 [0,0,0,0,0,2|2,0,0]=4