0 B8R1.1 CC1CCC(C1)O[13CH3] 34a_100000698185_200025704644 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.1 CCN1CCC(C1)O 2230a_100011215560_100000210202 [0,0,0,0,0,0|2,0,2]=4 2 B8R1.1 CCN1CCC(C1)O 269982a_100011215560_100000204670 [0,0,0,0,0,0|2,0,2]=4 3 B8R1.1 CCN1CC[C@@H](C1)F 2230a_100015203821_100000210202 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.1 CCN1CC[C@@H](C1)F 269982a_100015203821_100000204670 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.1 CCN1CC[C@@H](C1)F 34a_100015203821_100000210202 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.1 CCN1CC[C@H](C1)C 2230a_100016987628_100000210202 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.1 CCN1CC[C@H](C1)C 269982a_100016987628_100000204670 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.1 CCN1CC[C@H](C1)C 34a_100016987628_100000210202 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.1 CN1CCC(C1)CO 2230a_100000748654_200000210301 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.1 CN1CCC(C1)CO 269982a_100000748654_200000210301 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.1 CN1CCC(C1)CO 34a_100000748654_200000210301 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.1 CN1CCC(C1)S[13CH3] 62a_200025704644_200012183744 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.1 CNC1CCC(C1)C 270004a_106832991635_100011215218 [0,0,0,0,0,0|3,0,1]=4 15 B8R1.1 CNC1CCC(C1)O 270004a_106832991635_100012614533 [0,0,0,0,0,0|2,0,2]=4 16 B8R1.1 CNC1CCN(C1)C 7a_106832991635_200012183744 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [0,0,0,0,0,0|2,0,0]=2 19 B8R1.1 CN[C@H]1CC[C@H](C1)O 2230a_100015195300_200000210301 [0,0,0,0,0,0|2,0,2]=4 20 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,0,0,0,0,0|2,0,0]=2 21 B8R1.1 COC1CCC(C1)C 34a_100000698185_200000210301 [0,0,0,0,0,0|3,0,1]=4 22 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [0,0,0,0,0,0|2,0,0]=2 24 B8R1.1 CO[C@@H]1CCN(C1)C 2230a_100000766984_200000210301 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.1 CO[C@@H]1CCN(C1)C 269982a_100000766984_200000210301 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.1 CO[C@@H]1CCN(C1)[13CH3] 2230a_100000766984_200025704644 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.1 CO[C@@H]1CCN(C1)[13CH3] 269982a_100000766984_200025704644 [0,0,0,0,0,0|4,0,0]=4 28 B8R1.1 CSC1CCN(C1)C 62a_200000210301_200012183744 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [0,0,0,0,0,0|2,0,0]=2 30 B8R1.1 [13CH3]N1CCC(C1)CO 2230a_100000748654_200025704644 [0,0,0,0,0,0|4,0,0]=4 31 B8R1.1 [13CH3]N1CCC(C1)CO 269982a_100000748654_200025704644 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.1 [13CH3]N1CCC(C1)CO 34a_100000748654_200025704644 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [0,0,0,0,0,0|3,0,0]=3 34 B8R1.1 [13CH3]N[C@H]1CC[C@H](C1)O 2230a_100015195300_200025704644 [0,0,0,0,0,0|2,0,2]=4 35 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,0,0,0,0,0|2,0,0]=2 36 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [0,0,0,0,0,0|2,0,0]=2 38 B7R1.1 CCN1CC=CC1 269982a_100015195280_100000204670 [1,0,0,0,0,0|2,0,1]=4 39 B7R1.1 CCN1CCCC1 2230a_100000188435_100000210202 [1,0,0,0,0,0|2,0,1]=4 40 B7R1.1 CCN1CCCC1 269982a_100000188435_100000204670 [1,0,0,0,0,0|2,0,1]=4 41 B7R1.1 CCN1CCSC1 2230a_100011215254_100000210202 [1,0,0,0,0,0|3,0,0]=4 42 B7R1.1 CCN1CCSC1 269982a_100011215254_100000204670 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.1 CNC1CC=CC1 2230a_100015188752_200000210301 [1,0,0,0,0,0|2,0,1]=4 44 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [1,0,0,0,0,0|2,0,1]=4 45 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [1,0,0,0,0,0|2,0,1]=4 46 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [1,0,0,0,0,0|2,0,1]=4 47 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [1,0,0,0,0,0|2,0,1]=4 48 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [1,0,0,0,0,0|2,0,1]=4 49 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [1,0,0,0,0,0|2,0,1]=4 50 B7R1.1 CNC1CCOC1 2230a_106832991635_100000731011 [1,0,0,0,0,0|3,0,0]=4 51 B7R1.1 CNC1CCOC1 270004a_106832991635_100000752484 [1,0,0,0,0,0|3,0,0]=4 52 B7R1.1 CNC1CCOC1 34a_100102657272_100000690089 [1,0,0,0,0,0|3,0,0]=4 53 B7R1.1 CNC1CCOC1 7a_106832991635_100000731011 [1,0,0,0,0,0|3,0,0]=4 54 B7R1.1 CNC1CCSC1 270004a_106832991635_100000212027 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.1 CN[C@@H]1CCOC1 2230a_200015188469_200000210301 [1,0,0,0,0,0|3,0,0]=4 56 B7R1.1 CN[C@H]1CCOC1 2230a_100015188467_200000210301 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.1 CN[C@H]1CCOC1 34a_100015188467_200000210301 [1,0,0,0,0,0|3,0,0]=4 58 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [1,0,0,0,0,0|2,0,1]=4 59 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [1,0,0,0,0,0|2,0,1]=4 60 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [1,0,0,0,0,0|2,0,1]=4 61 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [1,0,0,0,0,0|1,0,1]=3 62 B7R1.1 COC1CCOC1 34a_100138415774_100000690089 [1,0,0,0,0,0|3,0,0]=4 63 B7R1.1 COC1CCSC1 7a_100011232664_200000210301 [1,0,0,0,0,0|3,0,0]=4 64 B7R1.1 CO[C@H]1CCOC1 34a_100000717292_200000210301 [1,0,0,0,0,0|3,0,0]=4 65 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [1,0,0,0,0,0|2,0,1]=4 66 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [1,0,0,0,0,0|2,0,1]=4 67 B7R1.1 CSC1CCOC1 62a_200000210301_100000690089 [1,0,0,0,0,0|3,0,0]=4 68 B7R1.1 [13CH3]NC1CC=CC1 2230a_100015188752_200025704644 [1,0,0,0,0,0|2,0,1]=4 69 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [1,0,0,0,0,0|2,0,1]=4 70 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [1,0,0,0,0,0|2,0,1]=4 71 B7R1.1 [13CH3]N[C@@H]1CCOC1 2230a_200015188469_200025704644 [1,0,0,0,0,0|3,0,0]=4 72 B7R1.1 [13CH3]N[C@H]1CCOC1 2230a_100015188467_200025704644 [1,0,0,0,0,0|3,0,0]=4 73 B7R1.1 [13CH3]N[C@H]1CCOC1 34a_100015188467_200025704644 [1,0,0,0,0,0|3,0,0]=4 74 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [1,0,0,0,0,0|2,0,1]=4 75 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [1,0,0,0,0,0|2,0,1]=4 76 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [1,0,0,0,0,0|1,0,1]=3 77 B7R1.1 [13CH3]OC1CCSC1 7a_100011232664_200025704644 [1,0,0,0,0,0|3,0,0]=4 78 B7R1.1 [13CH3]O[C@H]1CCOC1 34a_100000717292_200025704644 [1,0,0,0,0,0|3,0,0]=4 79 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [1,0,0,0,0,0|2,0,1]=4 80 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [1,0,0,0,0,0|2,0,1]=4 81 B7R1.1 [13CH3]SC1CCOC1 62a_200025704644_100000690089 [1,0,0,0,0,0|3,0,0]=4 82 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [1,0,0,0,0,0|3,0,0]=4 83 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [1,0,0,0,0,0|3,0,0]=4 84 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [1,0,0,0,0,0|3,0,0]=4 85 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [1,0,0,0,0,0|3,0,0]=4 86 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [1,0,0,0,0,0|3,0,0]=4 87 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [1,0,0,0,0,0|3,0,0]=4 88 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [1,0,0,0,0,0|3,0,0]=4 89 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.7 CCCN1CNC(=O)C1 2230a_200000708111_100000210303 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.7 CCNC1CCC(C1)C 270004a_100015525214_100011215218 [0,1,0,0,0,0|2,0,1]=4 92 B9R1.7 CCNC1CCC(C1)O 270004a_100015525214_100012614533 [0,1,0,0,0,0|1,0,2]=4 93 B9R1.7 CCNC1CNC(=O)C1 2230a_100000697751_100000210202 [0,1,0,0,0,0|2,0,0]=3 94 B9R1.7 CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210202 [0,1,0,0,0,0|1,0,2]=4 95 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [0,1,0,0,0,0|1,0,0]=2 96 B9R1.7 CCOC1CCC(C1)C 34a_100000698185_100000210202 [0,1,0,0,0,0|2,0,1]=4 97 B9R1.7 CCOC1CNC(=O)C1 34a_100000690082_100000210202 [0,1,0,0,0,0|2,0,0]=3 98 B9R1.7 CCOC1COC(=O)O1 34a_100121572206_100000032252 [0,1,0,0,0,0|1,0,0]=2 99 B9R1.7 CCO[C@H]1CCN(C1)C 2230a_100011787710_200000210301 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.7 CCO[C@H]1CCN(C1)C 269982a_100011787710_200000210301 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.7 CCO[C@H]1CCN(C1)C 34a_100011787710_200000210301 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 2230a_100011787710_200025704644 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 269982a_100011787710_200025704644 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 34a_100011787710_200025704644 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.7 CCSC1CCN(C1)C 62a_100000210202_200012183744 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.7 CCSC1COC(=O)O1 62a_100000210202_100000032252 [0,1,0,0,0,0|1,0,0]=2 107 B9R1.7 CN1CCC(C1)CCO 2230a_100016987287_200000210301 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.7 CN1CCC(C1)CCO 269982a_100016987287_200000210301 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.7 CN1CCC(C1)CCO 34a_100016987287_200000210301 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.7 CN1CCC(C1)CS[13CH3] 62a_200000690779_200025704644 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.7 CN1CCC(C1)CS[13CH3] 62a_200025704644_200000690779 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.7 CNCC1=CC(=O)OC1 34a_100102657272_100000716558 [0,1,0,0,0,0|2,0,1]=4 113 B9R1.7 CNCC1CCN(C1)C 34a_100102657272_200000690779 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.7 CNCC1CCN(C1)C 7a_106832991635_200000690779 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.7 CNCC1CNC(=O)C1 2230a_100016993742_200000210301 [0,1,0,0,0,0|2,0,0]=3 116 B9R1.7 CNCC1CNC(=O)C1 34a_100016993742_200000210301 [0,1,0,0,0,0|2,0,0]=3 117 B9R1.7 CNCC1CNC(=O)O1 2230a_106832991635_100000181169 [0,1,0,0,0,0|1,0,0]=2 118 B9R1.7 CNCC1CNC(=O)O1 34a_100102657272_100000181169 [0,1,0,0,0,0|1,0,0]=2 119 B9R1.7 CNCC1CNC(=O)O1 7a_106832991635_100000181169 [0,1,0,0,0,0|1,0,0]=2 120 B9R1.7 CNCC1COC(=O)O1 34a_100102657272_100000073702 [0,1,0,0,0,0|1,0,0]=2 121 B9R1.7 CNC[C@@H]1CCC(=O)N1 2230a_106832991635_100015189358 [0,1,0,0,0,0|1,0,0]=2 122 B9R1.7 CNC[C@@H]1CCC(=O)N1 7a_106832991635_100015189358 [0,1,0,0,0,0|1,0,0]=2 123 B9R1.7 CNC[C@H]1CCC(=O)N1 2230a_100015423886_200000210301 [0,1,0,0,0,0|1,0,0]=2 124 B9R1.7 CNC[C@H]1CCC(=O)N1 34a_100015423886_200000210301 [0,1,0,0,0,0|1,0,0]=2 125 B9R1.7 CNC[C@H]1COC(=O)N1 2230a_106832991635_100015307671 [0,1,0,0,0,0|2,0,0]=3 126 B9R1.7 CNC[C@H]1COC(=O)N1 34a_100102657272_100015307671 [0,1,0,0,0,0|2,0,0]=3 127 B9R1.7 CNC[C@H]1COC(=O)N1 7a_106832991635_100015307671 [0,1,0,0,0,0|2,0,0]=3 128 B9R1.7 COCC1=CC(=O)OC1 34a_100138415774_100000716558 [0,1,0,0,0,0|2,0,1]=4 129 B9R1.7 COCC1CCC(=O)N1 34a_100000737831_200000210301 [0,1,0,0,0,0|1,0,0]=2 130 B9R1.7 COCC1CCN(C1)C 2230a_100025706693_200000210301 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.7 COCC1CCN(C1)C 269982a_100025706693_200000210301 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.7 COCC1CCN(C1)C 34a_100025706693_200000210301 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.7 COCC1CCN(C1)C 34a_100138415774_200000690779 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.7 COCC1CCN(C1)[13CH3] 2230a_100025706693_200025704644 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.7 COCC1CCN(C1)[13CH3] 269982a_100025706693_200025704644 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.7 COCC1CCN(C1)[13CH3] 34a_100025706693_200025704644 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.7 COCC1CNC(=O)C1 34a_100016041077_200000210301 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.7 COCC1CNC(=O)O1 34a_100011315639_200000210301 [0,1,0,0,0,0|1,0,0]=2 139 B9R1.7 COCC1CNC(=O)O1 34a_100138415774_100000181169 [0,1,0,0,0,0|1,0,0]=2 140 B9R1.7 COCC1COC(=O)O1 34a_100138415774_100000073702 [0,1,0,0,0,0|1,0,0]=2 141 B9R1.7 COCN1CNC(=O)C1 2230a_200000708111_100000766300 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.7 COC[C@H]1COC(=O)N1 34a_100138415774_100015307671 [0,1,0,0,0,0|2,0,0]=3 143 B9R1.7 CSCC1=CC(=O)OC1 62a_100000716558_200000210301 [0,1,0,0,0,0|2,0,1]=4 144 B9R1.7 CSCC1=CC(=O)OC1 62a_200000210301_100000716558 [0,1,0,0,0,0|2,0,1]=4 145 B9R1.7 CSCC1CCN(C1)C 62a_200000210301_200000690779 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.7 CSCC1CCN(C1)C 62a_200000690779_200000210301 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.7 CSCC1CNC(=O)O1 62a_100000181169_200000210301 [0,1,0,0,0,0|1,0,0]=2 148 B9R1.7 CSCC1CNC(=O)O1 62a_200000210301_100000181169 [0,1,0,0,0,0|1,0,0]=2 149 B9R1.7 CSCC1COC(=O)O1 62a_100000073702_200000210301 [0,1,0,0,0,0|1,0,0]=2 150 B9R1.7 CSCC1COC(=O)O1 62a_200000210301_100000073702 [0,1,0,0,0,0|1,0,0]=2 151 B9R1.7 CSCN1CNC(=O)C1 2230a_200000708111_100011218213 [0,1,0,0,0,0|3,0,0]=4 152 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_100015189358_200000210301 [0,1,0,0,0,0|1,0,0]=2 153 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_200000210301_100015189358 [0,1,0,0,0,0|1,0,0]=2 154 B9R1.7 CSC[C@H]1COC(=O)N1 62a_100015307671_200000210301 [0,1,0,0,0,0|2,0,0]=3 155 B9R1.7 CSC[C@H]1COC(=O)N1 62a_200000210301_100015307671 [0,1,0,0,0,0|2,0,0]=3 156 B9R1.7 O=C1CC(CN1)OCF 34a_100000690082_100015361967 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.7 O=C1CCC(C1)OCF 34a_100012614533_100015361967 [0,1,0,0,0,0|2,0,0]=3 158 B9R1.7 O=C1CN(CN1)CCF 2230a_200000708111_100011217306 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.7 O=C1CN(CN1)CCO 2230a_200000708111_100000211926 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.7 O=C1OCC(O1)SCF 62a_100015361967_100000032252 [0,1,0,0,0,0|2,0,0]=3 161 B9R1.7 [13CH3]N1CCC(C1)CCO 2230a_100016987287_200025704644 [0,1,0,0,0,0|3,0,0]=4 162 B9R1.7 [13CH3]N1CCC(C1)CCO 269982a_100016987287_200025704644 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.7 [13CH3]N1CCC(C1)CCO 34a_100016987287_200025704644 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.7 [13CH3]NCC1CNC(=O)C1 2230a_100016993742_200025704644 [0,1,0,0,0,0|2,0,0]=3 165 B9R1.7 [13CH3]NCC1CNC(=O)C1 34a_100016993742_200025704644 [0,1,0,0,0,0|2,0,0]=3 166 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 2230a_100015423886_200025704644 [0,1,0,0,0,0|1,0,0]=2 167 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 34a_100015423886_200025704644 [0,1,0,0,0,0|1,0,0]=2 168 B9R1.7 [13CH3]OCC1CCC(=O)N1 34a_100000737831_200025704644 [0,1,0,0,0,0|1,0,0]=2 169 B9R1.7 [13CH3]OCC1CNC(=O)C1 34a_100016041077_200025704644 [0,1,0,0,0,0|2,0,0]=3 170 B9R1.7 [13CH3]OCC1CNC(=O)O1 34a_100011315639_200025704644 [0,1,0,0,0,0|1,0,0]=2 171 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_100000716558_200025704644 [0,1,0,0,0,0|2,0,1]=4 172 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_200025704644_100000716558 [0,1,0,0,0,0|2,0,1]=4 173 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_100000181169_200025704644 [0,1,0,0,0,0|1,0,0]=2 174 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_200025704644_100000181169 [0,1,0,0,0,0|1,0,0]=2 175 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_100000073702_200025704644 [0,1,0,0,0,0|1,0,0]=2 176 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_200025704644_100000073702 [0,1,0,0,0,0|1,0,0]=2 177 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_100015189358_200025704644 [0,1,0,0,0,0|1,0,0]=2 178 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_200025704644_100015189358 [0,1,0,0,0,0|1,0,0]=2 179 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_100015307671_200025704644 [0,1,0,0,0,0|2,0,0]=3 180 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_200025704644_100015307671 [0,1,0,0,0,0|2,0,0]=3 181 B9R1.21 CCC1CCC(C1)NC 270004a_106832991635_100011218773 [0,1,0,0,0,0|2,0,1]=4 182 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200009893386_200025704644 [0,1,0,0,0,0|1,0,2]=4 183 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200025704644_200009893386 [0,1,0,0,0,0|1,0,2]=4 184 B9R1.23 CN1CC(CC1=O)N[13CH3] 2230a_100000748898_200025704644 [0,1,0,0,0,0|3,0,0]=4 185 B9R1.23 CN1CC(CC1=O)N[13CH3] 34a_100000748898_200025704644 [0,1,0,0,0,0|3,0,0]=4 186 B9R1.23 CNC1C=C(C(=O)O1)C 2230a_106832991635_200009893386 [0,1,0,0,0,0|1,0,2]=4 187 B9R1.23 CNC1CC(=O)N(C1)C 2230a_100000748898_200000210301 [0,1,0,0,0,0|3,0,0]=4 188 B9R1.23 CNC1CC(=O)N(C1)C 34a_100000748898_200000210301 [0,1,0,0,0,0|3,0,0]=4 189 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200000210301_200009893386 [0,1,0,0,0,0|1,0,2]=4 190 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200009893386_200000210301 [0,1,0,0,0,0|1,0,2]=4 191 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [0,1,0,0,0,0|1,0,1]=3 192 B9R1.35 CC(=O)C1CNC(=O)C1 1458a_100000747279_200000210301 [0,1,0,0,0,0|2,0,1]=4 193 B9R1.35 CC(=O)C1CNC(=O)N1 1458a_100000033324_200000210301 [0,1,0,0,0,0|2,0,1]=4 194 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000210301 [0,1,0,0,0,0|0,0,1]=2 195 B9R1.35 CC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200000210301 [0,1,0,0,0,0|2,0,1]=4 196 B9R1.35 CC(C)N1CNC(=O)C1 2230a_200000708111_100000210206 [0,1,0,0,0,0|3,0,0]=4 197 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [0,1,0,0,0,0|1,0,1]=3 198 B9R1.35 [13CH3]C(=O)C1CNC(=O)C1 1458a_100000747279_200025704644 [0,1,0,0,0,0|2,0,1]=4 199 B9R1.35 [13CH3]C(=O)C1CNC(=O)N1 1458a_100000033324_200025704644 [0,1,0,0,0,0|2,0,1]=4 200 B9R1.35 [13CH3]C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200025704644 [0,1,0,0,0,0|0,0,1]=2 201 B9R1.35 [13CH3]C(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200025704644 [0,1,0,0,0,0|2,0,1]=4 202 B9R1.133 CNC1CCS(=O)(=O)C1 2230a_100000683523_200000210301 [0,1,0,0,0,0|3,0,0]=4 203 B9R1.133 CNC1CCS(=O)(=O)C1 34a_100000683523_200000210301 [0,1,0,0,0,0|3,0,0]=4 204 B9R1.133 COC1CCS(=O)(=O)C1 34a_100000186101_200000210301 [0,1,0,0,0,0|3,0,0]=4 205 B9R1.133 COC1CCS(=O)(=O)C1 7a_100000186101_200000210301 [0,1,0,0,0,0|3,0,0]=4 206 B9R1.133 [13CH3]NC1CCS(=O)(=O)C1 2230a_100000683523_200025704644 [0,1,0,0,0,0|3,0,0]=4 207 B9R1.133 [13CH3]NC1CCS(=O)(=O)C1 34a_100000683523_200025704644 [0,1,0,0,0,0|3,0,0]=4 208 B9R1.133 [13CH3]OC1CCS(=O)(=O)C1 34a_100000186101_200025704644 [0,1,0,0,0,0|3,0,0]=4 209 B9R1.133 [13CH3]OC1CCS(=O)(=O)C1 7a_100000186101_200025704644 [0,1,0,0,0,0|3,0,0]=4 210 B7R0.2 C#CC(C)NC(=O)C 11a_100000707721_100015343762 [0,0,1,0,0,0|1,0,2]=4 211 B7R0.2 C#CC(C)NC(=O)C 1626a_100000707721_100015343762 [0,0,1,0,0,0|1,0,2]=4 212 B7R0.2 C#CC(C)NC(=O)C 240690a_100000707721_100015343762 [0,0,1,0,0,0|1,0,2]=4 213 B7R0.2 C#CC(C)NC(=O)C 527a_100000707721_100103153847 [0,0,1,0,0,0|1,0,2]=4 214 B7R0.2 C=C(C)CN(C)CC 2230a_100000211296_200000210301 [0,0,1,0,0,0|3,0,0]=4 215 B7R0.2 C=C(C)CN(C)CC 2230a_100000225621_100000748629 [0,0,1,0,0,0|3,0,0]=4 216 B7R0.2 C=C(C)CN(C)CC 2230a_100000225649_100000210202 [0,0,1,0,0,0|3,0,0]=4 217 B7R0.2 C=C(C)CN(C)CC 269982a_100000211296_200000210301 [0,0,1,0,0,0|3,0,0]=4 218 B7R0.2 C=C(C)CN(C)CC 269982a_100000225621_100000748629 [0,0,1,0,0,0|3,0,0]=4 219 B7R0.2 C=C(C)CN(C)CC 269982a_100000225649_100000204670 [0,0,1,0,0,0|3,0,0]=4 220 B7R0.2 C=C(C)CN([13CH3])CC 2230a_100000211296_200025704644 [0,0,1,0,0,0|3,0,0]=4 221 B7R0.2 C=C(C)CN([13CH3])CC 269982a_100000211296_200025704644 [0,0,1,0,0,0|3,0,0]=4 222 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [0,0,1,0,0,0|1,0,2]=4 223 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [0,0,1,0,0,0|1,0,2]=4 224 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [0,0,1,0,0,0|3,0,0]=4 225 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,0,1,0,0,0|2,0,0]=3 226 B7R0.2 CC(=O)NC(C)C#N 11a_100000737613_100015343762 [0,0,1,0,0,0|2,0,1]=4 227 B7R0.2 CC(=O)NC(C)C#N 1626a_100000737613_100015343762 [0,0,1,0,0,0|2,0,1]=4 228 B7R0.2 CC(=O)NC(C)C#N 527a_100000737613_100103153847 [0,0,1,0,0,0|2,0,1]=4 229 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [0,0,1,0,0,0|2,0,0]=3 230 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [0,0,1,0,0,0|2,0,0]=3 231 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [0,0,1,0,0,0|2,0,0]=3 232 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [0,0,1,0,0,0|2,0,0]=3 233 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [0,0,1,0,0,0|2,0,0]=3 234 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [0,0,1,0,0,0|2,0,0]=3 235 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [0,0,1,0,0,0|1,0,0]=2 236 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [0,0,1,0,0,0|1,0,0]=2 237 B7R0.2 CC(C)OC(C)CF 34a_100016041109_100000210206 [0,0,1,0,0,0|2,0,1]=4 238 B7R0.2 CC(C)OC(C)CF 7a_100016041109_100000210206 [0,0,1,0,0,0|2,0,1]=4 239 B7R0.2 CC(C)OC(C)CN 34a_100000210904_100000210206 [0,0,1,0,0,0|2,0,1]=4 240 B7R0.2 CC(C)OC(C)CO 34a_100000212225_100012180447 [0,0,1,0,0,0|2,0,1]=4 241 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,0,1,0,0,0|1,0,1]=3 242 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,0,1,0,0,0|1,0,1]=3 243 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,0,1,0,0,0|2,0,1]=4 244 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,0,1,0,0,0|1,0,0]=2 245 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,0,1,0,0,0|1,0,0]=2 246 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,0,1,0,0,0|1,0,0]=2 247 B7R0.2 CCC(C)CN(C)C 2230a_100000753921_200000210301 [0,0,1,0,0,0|3,0,0]=4 248 B7R0.2 CCC(C)CN(C)C 2230a_100102631434_100000748023 [0,0,1,0,0,0|3,0,0]=4 249 B7R0.2 CCC(C)CN(C)C 269982a_100000753921_200000210301 [0,0,1,0,0,0|3,0,0]=4 250 B7R0.2 CCC(C)CN(C)C 269982a_100102631434_100000748023 [0,0,1,0,0,0|3,0,0]=4 251 B7R0.2 CCC(C)CN(C)C 270004a_100102631434_100000243153 [0,0,1,0,0,0|3,0,0]=4 252 B7R0.2 CCC(C)CN(C)[13CH3] 2230a_100000753921_200025704644 [0,0,1,0,0,0|3,0,0]=4 253 B7R0.2 CCC(C)CN(C)[13CH3] 269982a_100000753921_200025704644 [0,0,1,0,0,0|3,0,0]=4 254 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,0,1,0,0,0|1,0,0]=2 255 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,0,1,0,0,0|1,0,0]=2 256 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,0,1,0,0,0|1,0,0]=2 257 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,0,1,0,0,0|1,0,0]=2 258 B7R0.2 CCC(C)NC(C)C 2230a_100000209981_100000210206 [0,0,1,0,0,0|2,0,1]=4 259 B7R0.2 CCC(C)NC(C)C 2230a_100138425928_100000758301 [0,0,1,0,0,0|2,0,1]=4 260 B7R0.2 CCC(C)NC(C)C 34a_100138425928_100011215416 [0,0,1,0,0,0|2,0,1]=4 261 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [0,0,1,0,0,0|1,0,1]=3 262 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [0,0,1,0,0,0|1,0,1]=3 263 B7R0.2 CCC(C)SC(C)C 62a_100000210206_100000758301 [0,0,1,0,0,0|1,1,1]=4 264 B7R0.2 CCC(C)SC(C)C 62a_100000758301_100000210206 [0,0,1,0,0,0|1,1,1]=4 265 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,0,1,0,0,0|2,0,0]=3 266 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,0,1,0,0,0|2,0,0]=3 267 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,0,1,0,0,0|2,0,0]=3 268 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [0,0,1,0,0,0|2,0,0]=3 269 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [0,0,1,0,0,0|3,0,0]=4 270 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [0,0,1,0,0,0|3,0,0]=4 271 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [0,0,1,0,0,0|3,0,0]=4 272 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [0,0,1,0,0,0|3,0,0]=4 273 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [0,0,1,0,0,0|3,0,0]=4 274 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [0,0,1,0,0,0|2,0,0]=3 275 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [0,0,1,0,0,0|3,0,0]=4 276 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [0,0,1,0,0,0|3,0,0]=4 277 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,0,1,0,0,0|1,0,0]=2 278 B7R0.2 CC[C@H](C)CN(C)C 2230a_100102631434_100009816398 [0,0,1,0,0,0|3,0,0]=4 279 B7R0.2 CC[C@H](C)CN(C)C 269982a_100102631434_100009816398 [0,0,1,0,0,0|3,0,0]=4 280 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [0,0,1,0,0,0|3,0,0]=4 281 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [0,0,1,0,0,0|1,0,0]=2 282 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [0,0,1,0,0,0|1,0,0]=2 283 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [0,0,1,0,0,0|1,0,2]=4 284 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [0,0,1,0,0,0|1,0,2]=4 285 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [0,0,1,0,0,0|1,0,2]=4 286 B7R0.3 C#CCNC(=O)CC 11a_100000212058_100000210414 [0,0,1,0,0,0|1,0,2]=4 287 B7R0.3 C#CCNC(=O)CC 1626a_100000212058_100000210414 [0,0,1,0,0,0|1,0,2]=4 288 B7R0.3 C#CCNC(=O)CC 240690a_100000212058_100000210414 [0,0,1,0,0,0|1,0,2]=4 289 B7R0.3 C#CCNC(=O)CC 527a_100000212058_100000210414 [0,0,1,0,0,0|1,0,2]=4 290 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [0,0,1,0,0,0|1,0,2]=4 291 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [0,0,1,0,0,0|1,0,2]=4 292 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [0,0,1,0,0,0|1,0,2]=4 293 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [0,0,1,0,0,0|1,0,2]=4 294 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [0,0,1,0,0,0|1,0,2]=4 295 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [0,0,1,0,0,0|1,0,2]=4 296 B7R0.3 C=CCCC(C)NC 270004a_106832991635_100000762624 [0,0,1,0,0,0|3,0,0]=4 297 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [0,0,1,0,0,0|3,0,0]=4 298 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [0,0,1,0,0,0|3,0,0]=4 299 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [0,0,1,0,0,0|3,0,0]=4 300 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [0,0,1,0,0,0|3,0,0]=4 301 B7R0.3 C=CCCN(C)CC 2230a_100000225621_100000754431 [0,0,1,0,0,0|3,0,0]=4 302 B7R0.3 C=CCCN(C)CC 2230a_100020639649_100000210202 [0,0,1,0,0,0|3,0,0]=4 303 B7R0.3 C=CCCN(C)CC 269982a_100000225621_100000754431 [0,0,1,0,0,0|3,0,0]=4 304 B7R0.3 C=CCCN(C)CC 269982a_100020639649_100000204670 [0,0,1,0,0,0|3,0,0]=4 305 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [0,0,1,0,0,0|1,0,2]=4 306 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [0,0,1,0,0,0|1,0,2]=4 307 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [0,0,1,0,0,0|1,0,2]=4 308 B7R0.3 C=CCNC(C)CC 2230a_100000209981_100000210623 [0,0,1,0,0,0|3,0,0]=4 309 B7R0.3 C=CCNC(C)CC 2230a_100020586998_100000758301 [0,0,1,0,0,0|3,0,0]=4 310 B7R0.3 C=CCOC(C)CC 34a_200000210373_100011215416 [0,0,1,0,0,0|3,0,0]=4 311 B7R0.3 C=CCOC(C)CC 7a_100000210228_100015514636 [0,0,1,0,0,0|3,0,0]=4 312 B7R0.3 C=CCSC(C)CC 62a_100000210623_100000758301 [0,0,1,0,0,0|3,0,0]=4 313 B7R0.3 C=CCSC(C)CC 62a_100000758301_100000210623 [0,0,1,0,0,0|3,0,0]=4 314 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [0,0,1,0,0,0|1,0,2]=4 315 B7R0.3 CC(CF)OCC=O 34a_100016041109_200009817547 [0,0,1,0,0,0|3,0,0]=4 316 B7R0.3 CC(CF)OCC=O 7a_100016041109_200015260668 [0,0,1,0,0,0|3,0,0]=4 317 B7R0.3 CC(CN)OCC=O 34a_100000210904_200009817547 [0,0,1,0,0,0|3,0,0]=4 318 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [0,0,1,0,0,0|3,0,0]=4 319 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [0,0,1,0,0,0|1,0,2]=4 320 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [0,0,1,0,0,0|1,0,2]=4 321 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [0,0,1,0,0,0|2,0,1]=4 322 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [0,0,1,0,0,0|1,0,1]=3 323 B7R0.3 CCC#CC(=O)CF 1458a_100011827653_100015361967 [0,0,1,0,0,0|2,0,1]=4 324 B7R0.3 CCC(=O)C#CCO 1458a_100000049017_100000210202 [0,0,1,0,0,0|2,0,1]=4 325 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [0,0,1,0,0,0|2,0,1]=4 326 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [0,0,1,0,0,0|2,0,1]=4 327 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [0,0,1,0,0,0|2,0,1]=4 328 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [0,0,1,0,0,0|2,0,0]=3 329 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,0,1,0,0,0|2,0,0]=3 330 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,0,1,0,0,0|2,0,0]=3 331 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,0,1,0,0,0|2,0,0]=3 332 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,0,1,0,0,0|2,0,0]=3 333 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,0,1,0,0,0|2,0,0]=3 334 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [0,0,1,0,0,0|3,0,0]=4 335 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [0,0,1,0,0,0|3,0,0]=4 336 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [0,0,1,0,0,0|3,0,0]=4 337 B7R0.3 CCC(=O)NCC#N 1626a_100000734998_100000210414 [0,0,1,0,0,0|2,0,1]=4 338 B7R0.3 CCC(=O)NCC#N 527a_100000734998_100000210414 [0,0,1,0,0,0|2,0,1]=4 339 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [0,0,1,0,0,0|2,0,0]=3 340 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [0,0,1,0,0,0|2,0,0]=3 341 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [0,0,1,0,0,0|2,0,0]=3 342 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [0,0,1,0,0,0|2,0,0]=3 343 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [0,0,1,0,0,0|2,0,0]=3 344 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [0,0,1,0,0,0|2,0,0]=3 345 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [0,0,1,0,0,0|3,0,0]=4 346 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [0,0,1,0,0,0|3,0,0]=4 347 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [0,0,1,0,0,0|3,0,0]=4 348 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [0,0,1,0,0,0|3,0,0]=4 349 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [0,0,1,0,0,0|2,0,0]=3 350 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [0,0,1,0,0,0|2,0,0]=3 351 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [0,0,1,0,0,0|2,0,1]=4 352 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [0,0,1,0,0,0|2,0,1]=4 353 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [0,0,1,0,0,0|2,0,1]=4 354 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [0,0,1,0,0,0|2,0,1]=4 355 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [0,0,1,0,0,0|2,0,0]=3 356 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [0,0,1,0,0,0|2,0,0]=3 357 B7R0.3 CCC(O)CSCF 62a_100011218378_100015361967 [0,0,1,0,0,0|2,0,1]=4 358 B7R0.3 CCC(O)CSCF 62a_100015361967_100011218378 [0,0,1,0,0,0|2,0,1]=4 359 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,0,1,0,0,0|1,0,1]=3 360 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [0,0,1,0,0,0|2,0,1]=4 361 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [0,0,1,0,0,0|2,0,1]=4 362 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [0,0,1,0,0,0|2,0,1]=4 363 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [0,0,1,0,0,0|2,0,1]=4 364 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,0,1,0,0,0|1,0,0]=2 365 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,0,1,0,0,0|1,0,0]=2 366 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [0,0,1,0,0,0|2,0,0]=3 367 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [0,0,1,0,0,0|2,0,0]=3 368 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [0,0,1,0,0,0|2,0,0]=3 369 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [0,0,1,0,0,0|2,0,0]=3 370 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [0,0,1,0,0,0|2,0,0]=3 371 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [0,0,1,0,0,0|2,0,0]=3 372 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [0,0,1,0,0,0|3,0,0]=4 373 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [0,0,1,0,0,0|3,0,0]=4 374 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [0,0,1,0,0,0|3,0,0]=4 375 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [0,0,1,0,0,0|3,0,0]=4 376 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [0,0,1,0,0,0|3,0,0]=4 377 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [0,0,1,0,0,0|3,0,0]=4 378 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [0,0,1,0,0,0|3,0,0]=4 379 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [0,0,1,0,0,0|3,0,0]=4 380 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,0,1,0,0,0|1,0,0]=2 381 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,0,1,0,0,0|1,0,0]=2 382 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,0,1,0,0,0|1,0,0]=2 383 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,0,1,0,0,0|1,0,0]=2 384 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [0,0,1,0,0,0|2,0,0]=3 385 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [0,0,1,0,0,0|2,0,0]=3 386 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [0,0,1,0,0,0|2,0,0]=3 387 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [0,0,1,0,0,0|2,0,0]=3 388 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [0,0,1,0,0,0|2,0,0]=3 389 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [0,0,1,0,0,0|2,0,0]=3 390 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [0,0,1,0,0,0|2,0,0]=3 391 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [0,0,1,0,0,0|2,0,0]=3 392 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [0,0,1,0,0,0|2,0,1]=4 393 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [0,0,1,0,0,0|1,0,1]=3 394 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [0,0,1,0,0,0|1,0,1]=3 395 B7R0.3 CCCOC(C)CF 34a_100016041109_100000210303 [0,0,1,0,0,0|2,0,1]=4 396 B7R0.3 CCCOC(C)CF 7a_100016041109_100000210303 [0,0,1,0,0,0|2,0,1]=4 397 B7R0.3 CCCOC(C)CN 34a_100000210904_100000210303 [0,0,1,0,0,0|2,0,1]=4 398 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [0,0,1,0,0,0|2,0,1]=4 399 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [0,0,1,0,0,0|1,1,1]=4 400 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [0,0,1,0,0,0|1,1,1]=4 401 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [0,0,1,0,0,0|3,0,0]=4 402 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [0,0,1,0,0,0|3,0,0]=4 403 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [0,0,1,0,0,0|3,0,0]=4 404 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [0,0,1,0,0,0|2,0,1]=4 405 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [0,0,1,0,0,0|2,0,1]=4 406 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [0,0,1,0,0,0|2,0,0]=3 407 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [0,0,1,0,0,0|3,0,0]=4 408 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [0,0,1,0,0,0|3,0,0]=4 409 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [0,0,1,0,0,0|3,0,0]=4 410 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [0,0,1,0,0,0|3,0,0]=4 411 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,0,1,0,0,0|2,0,0]=3 412 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,0,1,0,0,0|2,0,0]=3 413 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [0,0,1,0,0,0|3,0,0]=4 414 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [0,0,1,0,0,0|3,0,0]=4 415 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [0,0,1,0,0,0|3,0,0]=4 416 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [0,0,1,0,0,0|3,0,0]=4 417 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [0,0,1,0,0,0|3,0,0]=4 418 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [0,0,1,0,0,0|3,0,0]=4 419 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [0,0,1,0,0,0|3,0,0]=4 420 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [0,0,1,0,0,0|3,0,0]=4 421 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [0,0,1,0,0,0|2,0,1]=4 422 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [0,0,1,0,0,0|2,0,0]=3 423 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [0,0,1,0,0,0|2,0,0]=3 424 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [0,0,1,0,0,0|2,0,0]=3 425 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [0,0,1,0,0,0|3,0,0]=4 426 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [0,0,1,0,0,0|3,0,0]=4 427 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [0,0,1,0,0,0|3,0,0]=4 428 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [0,0,1,0,0,0|3,0,0]=4 429 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [0,0,1,0,0,0|3,0,0]=4 430 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [0,0,1,0,0,0|3,0,0]=4 431 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [0,0,1,0,0,0|3,0,0]=4 432 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [0,0,1,0,0,0|3,0,0]=4 433 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [0,0,1,0,0,0|3,0,0]=4 434 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [0,0,1,0,0,0|2,0,1]=4 435 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [0,0,1,0,0,0|2,0,1]=4 436 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [0,0,1,0,0,0|3,0,0]=4 437 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [0,0,1,0,0,0|3,0,0]=4 438 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [0,0,1,0,0,0|3,0,0]=4 439 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [0,0,1,0,0,0|3,0,0]=4 440 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [0,0,1,0,0,0|3,0,0]=4 441 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [0,0,1,0,0,0|3,0,0]=4 442 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [0,0,1,0,0,0|3,0,0]=4 443 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [0,0,1,0,0,0|3,0,0]=4 444 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [0,0,1,0,0,0|3,0,0]=4 445 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [0,0,1,0,0,0|3,0,0]=4 446 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [0,0,1,0,0,0|3,0,0]=4 447 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [0,0,1,0,0,0|3,0,0]=4 448 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [0,0,1,0,0,0|3,0,0]=4 449 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [0,0,1,0,0,0|3,0,0]=4 450 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [0,0,1,0,0,0|3,0,0]=4 451 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [0,0,1,0,0,0|3,0,0]=4 452 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [0,0,1,0,0,0|3,0,0]=4 453 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [0,0,1,0,0,0|3,0,0]=4 454 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [0,0,1,0,0,0|3,0,0]=4 455 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [0,0,1,0,0,0|3,0,0]=4 456 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [0,0,1,0,0,0|3,0,0]=4 457 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [0,0,1,0,0,0|3,0,0]=4 458 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [0,0,1,0,0,0|3,0,0]=4 459 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [0,0,1,0,0,0|3,0,0]=4 460 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [0,0,1,0,0,0|3,0,0]=4 461 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [0,0,1,0,0,0|3,0,0]=4 462 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [0,0,1,0,0,0|3,0,0]=4 463 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [0,0,1,0,0,0|3,0,0]=4 464 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [0,0,1,0,0,0|3,0,0]=4 465 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [0,0,1,0,0,0|3,0,0]=4 466 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [0,0,1,0,0,0|3,0,0]=4 467 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [0,0,1,0,0,0|3,0,0]=4 468 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [0,0,1,0,0,0|3,0,0]=4 469 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [0,0,1,0,0,0|3,0,0]=4 470 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [0,0,1,0,0,0|3,0,0]=4 471 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [0,0,1,0,0,0|3,0,0]=4 472 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [0,0,1,0,0,0|3,0,0]=4 473 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [0,0,1,0,0,0|2,0,0]=3 474 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [0,0,1,0,0,0|2,0,0]=3 475 B7R0.3 COC(C)SCC=O 62a_100009879195_200015260668 [0,0,1,0,0,0|3,0,0]=4 476 B7R0.3 COC(C)SCC=O 62a_200015260668_100009879195 [0,0,1,0,0,0|3,0,0]=4 477 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [0,0,1,0,0,0|3,0,0]=4 478 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,0,1,0,0,0|3,0,0]=4 479 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [0,0,1,0,0,0|3,0,0]=4 480 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [0,0,1,0,0,0|3,0,0]=4 481 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,0,1,0,0,0|3,0,0]=4 482 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [0,0,1,0,0,0|3,0,0]=4 483 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [0,0,1,0,0,0|3,0,0]=4 484 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [0,0,1,0,0,0|3,0,0]=4 485 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [0,0,1,0,0,0|3,0,0]=4 486 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [0,0,1,0,0,0|3,0,0]=4 487 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [0,0,1,0,0,0|3,0,0]=4 488 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [0,0,1,0,0,0|3,0,0]=4 489 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [0,0,1,0,0,0|3,0,0]=4 490 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [0,0,1,0,0,0|3,0,0]=4 491 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [0,0,1,0,0,0|1,0,2]=4 492 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [0,0,1,0,0,0|1,0,2]=4 493 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [0,0,1,0,0,0|1,0,2]=4 494 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [0,0,1,0,0,0|1,0,2]=4 495 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [0,0,1,0,0,0|3,0,0]=4 496 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [0,0,1,0,0,0|3,0,0]=4 497 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [0,0,1,0,0,0|3,0,0]=4 498 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [0,0,1,0,0,0|3,0,0]=4 499 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [0,0,1,0,0,0|3,0,0]=4 500 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [0,0,1,0,0,0|3,0,0]=4 501 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [0,0,1,0,0,0|3,0,0]=4 502 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [0,0,1,0,0,0|3,0,0]=4 503 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [0,0,1,0,0,0|3,0,0]=4 504 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [0,0,1,0,0,0|3,0,0]=4 505 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [0,0,1,0,0,0|3,0,0]=4 506 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [0,0,1,0,0,0|3,0,0]=4 507 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [0,0,1,0,0,0|3,0,0]=4 508 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [0,0,1,0,0,0|3,0,0]=4 509 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [0,0,1,0,0,0|1,0,2]=4 510 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [0,0,1,0,0,0|1,0,2]=4 511 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [0,0,1,0,0,0|1,0,2]=4 512 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [0,0,1,0,0,0|1,0,2]=4 513 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [0,0,1,0,0,0|2,0,1]=4 514 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [0,0,1,0,0,0|2,0,1]=4 515 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [0,0,1,0,0,0|2,0,0]=3 516 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [0,0,1,0,0,0|2,0,0]=3 517 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [0,0,1,0,0,0|2,0,0]=3 518 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [0,0,1,0,0,0|2,0,0]=3 519 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [0,0,1,0,0,0|2,0,0]=3 520 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [0,0,1,0,0,0|2,0,0]=3 521 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [0,0,1,0,0,0|2,0,0]=3 522 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [0,0,1,0,0,0|3,0,0]=4 523 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [0,0,1,0,0,0|3,0,0]=4 524 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [0,0,1,0,0,0|3,0,0]=4 525 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [0,0,1,0,0,0|3,0,0]=4 526 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [0,0,1,0,0,0|3,0,0]=4 527 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [0,0,1,0,0,0|3,0,0]=4 528 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [0,0,1,0,0,0|3,0,0]=4 529 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [0,0,1,0,0,0|3,0,0]=4 530 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [0,0,1,0,0,0|3,0,0]=4 531 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [0,0,1,0,0,0|3,0,0]=4 532 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [0,0,1,0,0,0|3,0,0]=4 533 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [0,0,1,0,0,0|3,0,0]=4 534 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [0,0,1,0,0,0|3,0,0]=4 535 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [0,0,1,0,0,0|3,0,0]=4 536 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [0,0,1,0,0,0|3,0,0]=4 537 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [0,0,1,0,0,0|3,0,0]=4 538 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [0,0,1,0,0,0|3,0,0]=4 539 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [0,0,1,0,0,0|3,0,0]=4 540 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [0,0,1,0,0,0|3,0,0]=4 541 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [0,0,1,0,0,0|2,0,1]=4 542 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [0,0,1,0,0,0|2,0,1]=4 543 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [0,0,1,0,0,0|1,0,2]=4 544 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [0,0,1,0,0,0|1,0,2]=4 545 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [0,0,1,0,0,0|1,0,2]=4 546 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [0,0,1,0,0,0|1,0,2]=4 547 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [0,0,1,0,0,0|1,0,2]=4 548 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [0,0,1,0,0,0|1,0,2]=4 549 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [0,0,1,0,0,0|1,0,2]=4 550 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [0,0,1,0,0,0|1,0,2]=4 551 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [0,0,1,0,0,0|1,0,0]=2 552 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [0,0,1,0,0,0|1,0,0]=2 553 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [0,0,1,0,0,0|1,0,0]=2 554 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [0,0,1,0,0,0|3,0,0]=4 555 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [0,0,1,0,0,0|3,0,0]=4 556 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [0,0,1,0,0,0|3,0,0]=4 557 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [0,0,1,0,0,0|3,0,0]=4 558 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [0,0,1,0,0,0|3,0,0]=4 559 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [0,0,1,0,0,0|3,0,0]=4 560 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [0,0,1,0,0,0|2,0,0]=3 561 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [0,0,1,0,0,0|2,0,0]=3 562 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [0,0,1,0,0,0|2,0,0]=3 563 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [0,0,1,0,0,0|2,0,0]=3 564 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [0,0,1,0,0,0|2,0,0]=3 565 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [0,0,1,0,0,0|1,0,0]=2 566 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [0,0,1,0,0,0|2,0,1]=4 567 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [0,0,1,0,0,0|2,0,1]=4 568 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [0,0,1,0,0,0|3,0,0]=4 569 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,0,1,0,0,0|2,0,0]=3 570 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,0,1,0,0,0|2,0,0]=3 571 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [0,0,1,0,0,0|2,0,0]=3 572 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,0,1,0,0,0|2,0,0]=3 573 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [0,0,1,0,0,0|1,0,1]=3 574 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [0,0,1,0,0,0|2,0,1]=4 575 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [0,0,1,0,0,0|2,0,1]=4 576 B7R0.4 CCCOC[N+](=O)[O-] 34a_100000210258_100000761209 [0,0,1,0,0,0|2,0,1]=4 577 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [0,0,1,0,0,0|2,0,0]=3 578 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [0,0,1,0,0,0|2,0,0]=3 579 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [0,0,1,0,0,0|2,0,0]=3 580 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [0,0,1,0,0,0|2,0,0]=3 581 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [0,0,1,0,0,0|1,0,1]=3 582 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [0,0,1,0,0,0|1,0,1]=3 583 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [0,0,1,0,0,0|2,0,1]=4 584 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [0,0,1,0,0,0|2,0,1]=4 585 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [0,0,1,0,0,0|2,0,1]=4 586 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [0,0,1,0,0,0|2,0,1]=4 587 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [0,0,1,0,0,0|2,0,1]=4 588 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [0,0,1,0,0,0|2,0,0]=3 589 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [0,0,1,0,0,0|2,0,1]=4 590 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [0,0,1,0,0,0|2,0,1]=4 591 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [0,0,1,0,0,0|2,0,0]=3 592 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [0,0,1,0,0,0|2,0,0]=3 593 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [0,0,1,0,0,0|2,0,0]=3 594 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [0,0,1,0,0,0|2,0,0]=3 595 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [0,0,1,0,0,0|2,0,0]=3 596 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [0,0,1,0,0,0|2,0,0]=3 597 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [0,0,1,0,0,0|2,0,0]=3 598 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [0,0,1,0,0,0|2,0,0]=3 599 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [0,0,1,0,0,0|2,0,0]=3 600 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [0,0,1,0,0,0|2,0,1]=4 601 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [0,0,1,0,0,0|3,0,0]=4 602 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [0,0,1,0,0,0|2,0,0]=3 603 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [0,0,1,0,0,0|2,0,0]=3 604 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [0,0,1,0,0,0|2,0,0]=3 605 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [0,0,1,0,0,0|2,0,0]=3 606 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [0,0,1,0,0,0|2,0,0]=3 607 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [0,0,1,0,0,0|2,0,0]=3 608 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [0,0,1,0,0,0|2,0,0]=3 609 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [0,0,1,0,0,0|2,0,1]=4 610 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [0,0,1,0,0,0|2,0,1]=4 611 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [0,0,1,0,0,0|3,0,0]=4 612 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [0,0,1,0,0,0|3,0,0]=4 613 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [0,0,1,0,0,0|2,0,0]=3 614 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [0,0,1,0,0,0|2,0,0]=3 615 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [0,0,1,0,0,0|2,0,0]=3 616 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [0,0,1,0,0,0|2,0,0]=3 617 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [0,0,1,0,0,0|2,0,0]=3 618 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [0,0,1,0,0,0|2,0,1]=4 619 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [0,0,1,0,0,0|2,0,1]=4 620 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [0,0,1,0,0,0|2,0,1]=4 621 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [0,0,1,0,0,0|3,0,0]=4 622 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [0,0,1,0,0,0|3,0,0]=4 623 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [0,0,1,0,0,0|3,0,0]=4 624 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [0,0,1,0,0,0|3,0,0]=4 625 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [0,0,1,0,0,0|3,0,0]=4 626 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [0,0,1,0,0,0|3,0,0]=4 627 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [0,0,1,0,0,0|3,0,0]=4 628 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [0,0,1,0,0,0|3,0,0]=4 629 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [0,0,1,0,0,0|3,0,0]=4 630 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [0,0,1,0,0,0|3,0,0]=4 631 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [0,0,1,0,0,0|3,0,0]=4 632 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [0,0,1,0,0,0|2,0,0]=3 633 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [0,0,1,0,0,0|2,0,0]=3 634 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [0,0,1,0,0,0|2,0,0]=3 635 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [0,0,1,0,0,0|2,0,0]=3 636 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [0,0,1,0,0,0|2,0,0]=3 637 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [0,0,1,0,0,0|2,0,0]=3 638 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [0,0,1,0,0,0|2,0,0]=3 639 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [0,0,1,0,0,0|2,0,1]=4 640 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [0,0,1,0,0,0|2,0,1]=4 641 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [0,0,1,0,0,0|3,0,0]=4 642 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [0,0,1,0,0,0|3,0,0]=4 643 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [0,0,1,0,0,0|3,0,0]=4 644 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [0,0,1,0,0,0|3,0,0]=4 645 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [0,0,1,0,0,0|3,0,0]=4 646 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [0,0,1,0,0,0|3,0,0]=4 647 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [0,0,1,0,0,0|3,0,0]=4 648 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [0,0,1,0,0,0|3,0,0]=4 649 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [0,0,1,0,0,0|3,0,0]=4 650 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [0,0,1,0,0,0|2,0,0]=3 651 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [0,0,1,0,0,0|3,0,0]=4 652 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [0,0,1,0,0,0|3,0,0]=4 653 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [0,0,1,0,0,0|2,0,1]=4 654 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [0,0,1,0,0,0|2,0,1]=4 655 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [0,0,1,0,0,0|3,0,0]=4 656 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [0,0,1,0,0,0|2,0,0]=3 657 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [0,0,1,0,0,0|2,0,0]=3 658 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [0,0,1,0,0,0|2,0,0]=3 659 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [0,0,1,0,0,0|2,0,0]=3 660 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [0,0,1,0,0,0|2,0,0]=3 661 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [0,0,1,0,0,0|2,0,0]=3 662 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [0,0,1,0,0,0|2,0,1]=4 663 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [0,0,1,0,0,0|2,0,1]=4 664 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [0,0,1,0,0,0|3,0,0]=4 665 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [0,0,1,0,0,0|3,0,0]=4 666 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [0,0,1,0,0,0|3,0,0]=4 667 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [0,0,1,0,0,0|3,0,0]=4 668 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [0,0,1,0,0,0|3,0,0]=4 669 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [0,0,1,0,0,0|3,0,0]=4 670 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [0,0,1,0,0,0|3,0,0]=4 671 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [0,0,1,0,0,0|3,0,0]=4 672 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [0,0,1,0,0,0|3,0,0]=4 673 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [0,0,1,0,0,0|3,0,0]=4 674 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [0,0,1,0,0,0|3,0,0]=4 675 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [0,0,1,0,0,0|3,0,0]=4 676 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [0,0,1,0,0,0|3,0,0]=4 677 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [0,0,1,0,0,0|2,0,0]=3 678 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [0,0,1,0,0,0|3,0,0]=4 679 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [0,0,1,0,0,0|3,0,0]=4 680 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [0,0,1,0,0,0|3,0,0]=4 681 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [0,0,1,0,0,0|2,0,1]=4 682 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [0,0,1,0,0,0|2,0,1]=4 683 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [0,0,1,0,0,0|2,0,1]=4 684 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [0,0,1,0,0,0|3,0,0]=4 685 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [0,0,1,0,0,0|3,0,0]=4 686 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [0,0,1,0,0,0|3,0,0]=4 687 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [0,0,1,0,0,0|3,0,0]=4 688 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [0,0,1,0,0,0|3,0,0]=4 689 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [0,0,1,0,0,0|3,0,0]=4 690 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [0,0,1,0,0,0|3,0,0]=4 691 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [0,0,1,0,0,0|3,0,0]=4 692 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [0,0,1,0,0,0|3,0,0]=4 693 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [0,0,1,0,0,0|3,0,0]=4 694 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [0,0,1,0,0,0|3,0,0]=4 695 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [0,0,1,0,0,0|3,0,0]=4 696 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [0,0,1,0,0,0|3,0,0]=4 697 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [0,0,1,0,0,0|3,0,0]=4 698 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [0,0,1,0,0,0|3,0,0]=4 699 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [0,0,1,0,0,0|2,0,1]=4 700 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [0,0,1,0,0,0|2,0,0]=3 701 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [0,0,1,0,0,0|2,0,0]=3 702 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [0,0,1,0,0,0|3,0,0]=4 703 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [0,0,1,0,0,0|2,0,1]=4 704 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [0,0,1,0,0,0|2,0,1]=4 705 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [0,0,1,0,0,0|2,0,1]=4 706 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [0,0,1,0,0,0|2,0,1]=4 707 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [0,0,1,0,0,0|2,0,1]=4 708 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [0,0,1,0,0,0|2,0,1]=4 709 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [0,0,1,0,0,0|2,0,1]=4 710 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [0,0,1,0,0,0|2,0,1]=4 711 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [0,0,1,0,0,0|2,0,1]=4 712 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [0,0,1,0,0,0|2,0,0]=3 713 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [0,0,1,0,0,0|3,0,0]=4 714 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [0,0,1,0,0,0|2,0,0]=3 715 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [0,0,1,0,0,0|3,0,0]=4 716 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [0,0,1,0,0,0|2,0,1]=4 717 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [0,0,1,0,0,0|3,0,0]=4 718 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [0,0,1,0,0,0|3,0,0]=4 719 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [0,0,1,0,0,0|2,0,0]=3 720 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [0,0,1,0,0,0|2,0,0]=3 721 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [0,0,1,0,0,0|3,0,0]=4 722 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [0,0,1,0,0,0|3,0,0]=4 723 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [0,0,1,0,0,0|3,0,0]=4 724 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [0,0,1,0,0,0|3,0,0]=4 725 B7R0.12 C=CCN(CC)CC 2230a_100000724800_100000210623 [0,0,1,0,0,0|3,0,0]=4 726 B7R0.12 C=CCN(CC)CC 269956a_100000042499_100000210623 [0,0,1,0,0,0|3,0,0]=4 727 B7R0.12 C=CCN(CC)CC 269982a_100000724800_100000210623 [0,0,1,0,0,0|3,0,0]=4 728 B7R0.12 CCC(CC)CNC 2230a_100102946423_200000210301 [0,0,1,0,0,0|3,0,0]=4 729 B7R0.12 CCC(CC)CNC 2230a_106832991635_100011215472 [0,0,1,0,0,0|3,0,0]=4 730 B7R0.12 CCC(CC)CNC 269862a_106832991636_100000211137 [0,0,1,0,0,0|3,0,0]=4 731 B7R0.12 CCC(CC)CNC 270004a_106832991635_100000211137 [0,0,1,0,0,0|3,0,0]=4 732 B7R0.12 CCC(CC)CNC 34a_100102657272_100011215472 [0,0,1,0,0,0|3,0,0]=4 733 B7R0.12 CCC(CC)CNC 7a_106832991635_100011215472 [0,0,1,0,0,0|3,0,0]=4 734 B7R0.12 CCC(CC)CN[13CH3] 2230a_100102946423_200025704644 [0,0,1,0,0,0|3,0,0]=4 735 B7R0.12 CCC(CC)COC 34a_100138415774_100011215472 [0,0,1,0,0,0|3,0,0]=4 736 B7R0.12 CCC(CC)COC 7a_100000703878_200000210301 [0,0,1,0,0,0|3,0,0]=4 737 B7R0.12 CCC(CC)CO[13CH3] 7a_100000703878_200025704644 [0,0,1,0,0,0|3,0,0]=4 738 B7R0.12 CCC(CC)CSC 62a_100011215472_200000210301 [0,0,1,0,0,0|3,0,0]=4 739 B7R0.12 CCC(CC)CSC 62a_200000210301_100011215472 [0,0,1,0,0,0|3,0,0]=4 740 B7R0.12 CCC(CC)CS[13CH3] 62a_100011215472_200025704644 [0,0,1,0,0,0|3,0,0]=4 741 B7R0.12 CCC(CC)CS[13CH3] 62a_200025704644_100011215472 [0,0,1,0,0,0|3,0,0]=4 742 B7R0.12 CCC(CC)OCF 7a_100000688536_100015361967 [0,0,1,0,0,0|1,0,1]=3 743 B7R0.12 CCC(CC)SCF 62a_100000210505_100015361967 [0,0,1,0,0,0|1,1,1]=4 744 B7R0.12 CCC(CC)SCF 62a_100015361967_100000210505 [0,0,1,0,0,0|1,1,1]=4 745 B7R0.12 CCN(CC)CC=O 2230a_100000724800_200015260668 [0,0,1,0,0,0|2,0,0]=3 746 B7R0.12 CCN(CC)CC=O 269956a_100000042499_200015260668 [0,0,1,0,0,0|2,0,0]=3 747 B7R0.12 CCN(CC)CC=O 269982a_100000724800_200015260668 [0,0,1,0,0,0|2,0,0]=3 748 B7R0.12 CCNC(CC)CC 2230a_100000199018_100000210202 [0,0,1,0,0,0|2,0,1]=4 749 B7R0.12 CCNC(CC)CC 270004a_100015525214_100000210860 [0,0,1,0,0,0|2,0,1]=4 750 B7R0.12 CCOC(CC)CC 7a_100000688536_100000210202 [0,0,1,0,0,0|1,0,1]=3 751 B7R0.12 CCSC(CC)CC 62a_100000210202_100000210505 [0,0,1,0,0,0|1,1,1]=4 752 B7R0.12 CCSC(CC)CC 62a_100000210505_100000210202 [0,0,1,0,0,0|1,1,1]=4 753 B9R2.39 CN1CC2CCC1C2 2230a_100000743476_200000210301 [0,0,0,1,0,0|3,0,0]=4 754 B9R2.39 CN1CC2CCC1C2 269982a_100000743476_200000210301 [0,0,0,1,0,0|3,0,0]=4 755 B9R2.39 CN1CC2CCC1C2 34a_100000743476_200000210301 [0,0,0,1,0,0|3,0,0]=4 756 B9R2.39 [13CH3]N1CC2CCC1C2 2230a_100000743476_200025704644 [0,0,0,1,0,0|3,0,0]=4 757 B9R2.39 [13CH3]N1CC2CCC1C2 269982a_100000743476_200025704644 [0,0,0,1,0,0|3,0,0]=4 758 B9R2.39 [13CH3]N1CC2CCC1C2 34a_100000743476_200025704644 [0,0,0,1,0,0|3,0,0]=4 759 B9R2.139 CN1CCC2(C1)CC2 2230a_100000697357_200000210301 [0,0,0,1,0,0|3,0,0]=4 760 B9R2.139 CN1CCC2(C1)CC2 269982a_100000697357_200000210301 [0,0,0,1,0,0|3,0,0]=4 761 B9R2.139 CN1CCC2(C1)CC2 34a_100000697357_200000210301 [0,0,0,1,0,0|3,0,0]=4 762 B9R2.139 [13CH3]N1CCC2(C1)CC2 2230a_100000697357_200025704644 [0,0,0,1,0,0|3,0,0]=4 763 B9R2.139 [13CH3]N1CCC2(C1)CC2 269982a_100000697357_200025704644 [0,0,0,1,0,0|3,0,0]=4 764 B9R2.139 [13CH3]N1CCC2(C1)CC2 34a_100000697357_200025704644 [0,0,0,1,0,0|3,0,0]=4 765 B7R1.8 CCN1CCC1C 269982a_100000755817_100000204670 [0,0,0,0,1,0|2,0,1]=4 766 B7R1.8 CCN1CCC1C 34a_100000755817_100000210202 [0,0,0,0,1,0|2,0,1]=4 767 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [0,0,0,0,1,0|1,0,0]=2 768 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [0,0,0,0,1,0|1,0,0]=2 769 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,0,0,0,1,0|1,0,0]=2 770 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [0,0,0,0,1,0|1,0,0]=2 771 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [0,0,0,0,1,0|1,0,0]=2 772 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [0,0,0,0,1,0|1,0,0]=2 773 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [0,0,0,0,1,0|1,0,0]=2 774 B7R1.10 C=C1CC(C1)NC 2230a_100132301982_200000210301 [0,0,0,0,1,0|3,0,0]=4 775 B7R1.10 C=C1CC(C1)N[13CH3] 2230a_100132301982_200025704644 [0,0,0,0,1,0|3,0,0]=4 776 B7R1.10 CCC1CN(C1)C 2230a_100015205115_200000210301 [0,0,0,0,1,0|3,0,0]=4 777 B7R1.10 CCC1CN(C1)C 269982a_100015205115_200000210301 [0,0,0,0,1,0|3,0,0]=4 778 B7R1.10 CCC1CN(C1)[13CH3] 2230a_100015205115_200025704644 [0,0,0,0,1,0|3,0,0]=4 779 B7R1.10 CCC1CN(C1)[13CH3] 269982a_100015205115_200025704644 [0,0,0,0,1,0|3,0,0]=4 780 B7R1.10 CSC1CC(=O)C1 62a_100009894365_200000210301 [0,0,0,0,1,0|2,0,0]=3 781 B7R1.10 [13CH3]SC1CC(=O)C1 62a_100009894365_200025704644 [0,0,0,0,1,0|2,0,0]=3 782 B9R1.1 C=C1CCC(CC1)NC 270004a_106832991635_100010272673 [0,0,0,0,0,1|3,0,0]=4 783 B9R1.1 C=C1CCN(CC1)CC 2230a_100000752442_100000210202 [0,0,0,0,0,1|3,0,0]=4 784 B9R1.1 C=C1CCN(CC1)CC 269982a_100000752442_100000204670 [0,0,0,0,0,1|3,0,0]=4 785 B9R1.1 C=C1CCN(CC1)CC 34a_100000752442_100000210202 [0,0,0,0,0,1|3,0,0]=4 786 B9R1.1 CCC1CCN(CC1)C 2230a_100000754474_200000210301 [0,0,0,0,0,1|3,0,0]=4 787 B9R1.1 CCC1CCN(CC1)C 269982a_100000754474_200000210301 [0,0,0,0,0,1|3,0,0]=4 788 B9R1.1 CCC1CCN(CC1)C 34a_100000754474_200000210301 [0,0,0,0,0,1|3,0,0]=4 789 B9R1.1 CCC1CCN(CC1)[13CH3] 2230a_100000754474_200025704644 [0,0,0,0,0,1|3,0,0]=4 790 B9R1.1 CCC1CCN(CC1)[13CH3] 269982a_100000754474_200025704644 [0,0,0,0,0,1|3,0,0]=4 791 B9R1.1 CCC1CCN(CC1)[13CH3] 34a_100000754474_200025704644 [0,0,0,0,0,1|3,0,0]=4 792 B9R1.1 CCN1CC=C(CC1)C 2230a_100000693516_100000210202 [0,0,0,0,0,1|3,0,0]=4 793 B9R1.1 CCN1CC=C(CC1)C 269982a_100000693516_100000204670 [0,0,0,0,0,1|3,0,0]=4 794 B9R1.1 CCN1CC=C(CC1)C 34a_100000693516_100000210202 [0,0,0,0,0,1|3,0,0]=4 795 B9R1.1 CCN1CCS(=O)CC1 2230a_100000752083_100000210202 [0,0,0,0,0,1|3,0,0]=4 796 B9R1.1 CCN1CCS(=O)CC1 269982a_100000752083_100000204670 [0,0,0,0,0,1|3,0,0]=4 797 B9R1.1 CNC1CCC(=O)NC1 2230a_100000748762_200000210301 [0,0,0,0,0,1|2,0,0]=3 798 B9R1.1 CNC1CCC(=O)NC1 34a_100000748762_200000210301 [0,0,0,0,0,1|2,0,0]=3 799 B9R1.1 COC1CCC(=O)CC1 34a_100000764474_200000210301 [0,0,0,0,0,1|2,0,0]=3 800 B9R1.1 COC1CCC(=O)CC1 7a_100000764474_200000210301 [0,0,0,0,0,1|2,0,0]=3 801 B9R1.1 COC1CCC(=O)NC1 34a_100000079199_200000210301 [0,0,0,0,0,1|2,0,0]=3 802 B9R1.1 COC1CNC(=O)NC1 34a_100000080929_200000210301 [0,0,0,0,0,1|3,0,0]=4 803 B9R1.1 [13CH3]NC1CCC(=O)NC1 2230a_100000748762_200025704644 [0,0,0,0,0,1|2,0,0]=3 804 B9R1.1 [13CH3]NC1CCC(=O)NC1 34a_100000748762_200025704644 [0,0,0,0,0,1|2,0,0]=3 805 B9R1.1 [13CH3]OC1CCC(=O)CC1 34a_100000764474_200025704644 [0,0,0,0,0,1|2,0,0]=3 806 B9R1.1 [13CH3]OC1CCC(=O)CC1 7a_100000764474_200025704644 [0,0,0,0,0,1|2,0,0]=3 807 B9R1.1 [13CH3]OC1CCC(=O)NC1 34a_100000079199_200025704644 [0,0,0,0,0,1|2,0,0]=3 808 B9R1.1 [13CH3]OC1CNC(=O)NC1 34a_100000080929_200025704644 [0,0,0,0,0,1|3,0,0]=4 809 B9R1.2 CC1=CC(CCC1)O[13CH3] 34a_100011218613_200025704644 [0,0,0,0,0,1|3,0,0]=4 810 B9R1.2 CCC1CN(CCO1)C 2230a_100000736320_200000210301 [0,0,0,0,0,1|3,0,0]=4 811 B9R1.2 CCC1CN(CCO1)C 269982a_100000736320_200000210301 [0,0,0,0,0,1|3,0,0]=4 812 B9R1.2 CCC1CN(CCO1)C 34a_100000736320_200000210301 [0,0,0,0,0,1|3,0,0]=4 813 B9R1.2 CCC1CN(CCO1)[13CH3] 2230a_100000736320_200025704644 [0,0,0,0,0,1|3,0,0]=4 814 B9R1.2 CCC1CN(CCO1)[13CH3] 269982a_100000736320_200025704644 [0,0,0,0,0,1|3,0,0]=4 815 B9R1.2 CCC1CN(CCO1)[13CH3] 34a_100000736320_200025704644 [0,0,0,0,0,1|3,0,0]=4 816 B9R1.2 CCN1CCC=C(C1)C 2230a_100000725631_100000210202 [0,0,0,0,0,1|3,0,0]=4 817 B9R1.2 CCN1CCC=C(C1)C 269982a_100000725631_100000204670 [0,0,0,0,0,1|3,0,0]=4 818 B9R1.2 CCN1CCC=C(C1)C 34a_100000725631_100000210202 [0,0,0,0,0,1|3,0,0]=4 819 B9R1.2 CCN1CCNC(=O)C1 2230a_100000184651_100000210202 [0,0,0,0,0,1|2,0,0]=3 820 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [0,0,0,0,0,1|2,0,0]=3 821 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [0,0,0,0,0,1|2,0,0]=3 822 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [0,0,0,0,0,1|2,0,0]=3 823 B9R1.2 COC1C=C(CCC1)C 34a_100011218613_200000210301 [0,0,0,0,0,1|3,0,0]=4 824 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [0,0,0,0,0,1|2,0,0]=3 825 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [0,0,0,0,0,1|2,0,0]=3 826 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [0,0,0,0,0,1|2,0,0]=3 827 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [0,0,0,0,0,1|2,0,0]=3 828 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [0,0,0,0,0,1|2,0,0]=3 829 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [0,0,0,0,0,1|2,0,0]=3 830 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [1,0,1,0,0,0|0,0,2]=4 831 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [1,0,1,0,0,0|0,0,2]=4 832 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [1,0,1,0,0,0|0,0,2]=4 833 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [1,0,1,0,0,0|2,0,0]=4 834 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [1,0,1,0,0,0|2,0,0]=4 835 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,0,1,0,0,0|0,0,2]=4 836 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [1,0,1,0,0,0|0,0,2]=4 837 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [1,0,1,0,0,0|0,0,2]=4 838 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [1,0,1,0,0,0|0,0,2]=4 839 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,0,1,0,0,0|0,0,2]=4 840 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [1,0,1,0,0,0|1,0,1]=4 841 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [1,0,1,0,0,0|1,0,1]=4 842 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [1,0,1,0,0,0|1,0,0]=3 843 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,0,1,0,0,0|1,0,0]=3 844 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,0,1,0,0,0|1,0,0]=3 845 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [1,0,1,0,0,0|1,0,0]=3 846 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [1,0,1,0,0,0|1,0,0]=3 847 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [1,0,1,0,0,0|1,0,0]=3 848 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [1,0,1,0,0,0|1,0,0]=3 849 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [1,0,1,0,0,0|1,0,0]=3 850 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [1,0,1,0,0,0|1,0,0]=3 851 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [1,0,1,0,0,0|1,0,0]=3 852 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [1,0,1,0,0,0|1,0,0]=3 853 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [1,0,1,0,0,0|1,0,0]=3 854 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [1,0,1,0,0,0|2,0,0]=4 855 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [1,0,1,0,0,0|2,0,0]=4 856 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [1,0,1,0,0,0|2,0,0]=4 857 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [1,0,1,0,0,0|2,0,0]=4 858 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [1,0,1,0,0,0|2,0,0]=4 859 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [1,0,1,0,0,0|2,0,0]=4 860 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [1,0,1,0,0,0|2,0,0]=4 861 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [1,0,1,0,0,0|2,0,0]=4 862 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [1,0,1,0,0,0|2,0,0]=4 863 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [1,0,1,0,0,0|2,0,0]=4 864 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [1,0,1,0,0,0|2,0,0]=4 865 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [1,0,1,0,0,0|2,0,0]=4 866 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [1,0,1,0,0,0|1,0,1]=4 867 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [1,0,1,0,0,0|1,0,1]=4 868 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [1,0,1,0,0,0|1,0,1]=4 869 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [1,0,1,0,0,0|1,0,1]=4 870 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [1,0,1,0,0,0|1,0,1]=4 871 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [1,0,1,0,0,0|1,0,1]=4 872 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [1,0,1,0,0,0|1,0,1]=4 873 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [1,0,1,0,0,0|1,0,1]=4 874 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [1,0,1,0,0,0|1,0,1]=4 875 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [1,0,1,0,0,0|1,0,1]=4 876 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [1,0,1,0,0,0|1,0,1]=4 877 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,0,1,0,0,0|0,0,0]=2 878 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,0,1,0,0,0|0,0,0]=2 879 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [1,0,1,0,0,0|1,0,0]=3 880 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,0,1,0,0,0|1,0,0]=3 881 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [1,0,1,0,0,0|1,0,0]=3 882 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [1,0,1,0,0,0|1,0,0]=3 883 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [1,0,1,0,0,0|1,0,0]=3 884 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [1,0,1,0,0,0|1,0,0]=3 885 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [1,0,1,0,0,0|2,0,0]=4 886 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [1,0,1,0,0,0|2,0,0]=4 887 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [1,0,1,0,0,0|2,0,0]=4 888 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [1,0,1,0,0,0|2,0,0]=4 889 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [1,0,1,0,0,0|2,0,0]=4 890 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [1,0,1,0,0,0|2,0,0]=4 891 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [1,0,1,0,0,0|2,0,0]=4 892 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [1,0,1,0,0,0|2,0,0]=4 893 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [1,0,1,0,0,0|2,0,0]=4 894 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [1,0,1,0,0,0|2,0,0]=4 895 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,0,1,0,0,0|1,0,0]=3 896 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,0,1,0,0,0|1,0,0]=3 897 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,0,1,0,0,0|1,0,0]=3 898 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,0,1,0,0,0|2,0,0]=4 899 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,0,1,0,0,0|2,0,0]=4 900 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [1,0,1,0,0,0|2,0,0]=4 901 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [1,0,1,0,0,0|2,0,0]=4 902 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [1,0,1,0,0,0|2,0,0]=4 903 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [1,0,1,0,0,0|2,0,0]=4 904 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [1,0,1,0,0,0|2,0,0]=4 905 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [1,0,1,0,0,0|2,0,0]=4 906 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [1,0,1,0,0,0|1,0,1]=4 907 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [1,0,1,0,0,0|1,0,1]=4 908 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [1,0,1,0,0,0|0,0,1]=3 909 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [1,0,1,0,0,0|0,0,1]=3 910 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [1,0,1,0,0,0|1,0,1]=4 911 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [1,0,1,0,0,0|1,0,1]=4 912 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [1,0,1,0,0,0|1,0,1]=4 913 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [1,0,1,0,0,0|1,0,1]=4 914 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [1,0,1,0,0,0|0,1,1]=4 915 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [1,0,1,0,0,0|0,1,1]=4 916 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [1,0,1,0,0,0|2,0,0]=4 917 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [1,0,1,0,0,0|2,0,0]=4 918 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [1,0,1,0,0,0|2,0,0]=4 919 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [1,0,1,0,0,0|2,0,0]=4 920 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [1,0,1,0,0,0|2,0,0]=4 921 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [1,0,1,0,0,0|2,0,0]=4 922 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [1,0,1,0,0,0|2,0,0]=4 923 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [1,0,1,0,0,0|2,0,0]=4 924 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [1,0,1,0,0,0|2,0,0]=4 925 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [1,0,1,0,0,0|2,0,0]=4 926 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [1,0,1,0,0,0|2,0,0]=4 927 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [1,0,1,0,0,0|2,0,0]=4 928 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [1,0,1,0,0,0|2,0,0]=4 929 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [1,0,1,0,0,0|2,0,0]=4 930 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [1,0,1,0,0,0|2,0,0]=4 931 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [1,0,1,0,0,0|2,0,0]=4 932 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [1,0,1,0,0,0|2,0,0]=4 933 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [1,0,1,0,0,0|2,0,0]=4 934 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [1,0,1,0,0,0|2,0,0]=4 935 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [1,0,1,0,0,0|2,0,0]=4 936 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [1,0,1,0,0,0|2,0,0]=4 937 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [1,0,1,0,0,0|2,0,0]=4 938 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [1,0,1,0,0,0|2,0,0]=4 939 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [1,0,1,0,0,0|2,0,0]=4 940 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [1,0,1,0,0,0|2,0,0]=4 941 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [1,0,1,0,0,0|2,0,0]=4 942 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [1,0,1,0,0,0|2,0,0]=4 943 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [1,0,1,0,0,0|2,0,0]=4 944 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [1,0,1,0,0,0|2,0,0]=4 945 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [1,0,1,0,0,0|2,0,0]=4 946 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [1,0,1,0,0,0|2,0,0]=4 947 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [1,0,1,0,0,0|2,0,0]=4 948 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [1,0,1,0,0,0|2,0,0]=4 949 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [1,0,1,0,0,0|2,0,0]=4 950 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [1,0,1,0,0,0|2,0,0]=4 951 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [1,0,1,0,0,0|2,0,0]=4 952 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [1,0,1,0,0,0|2,0,0]=4 953 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [1,0,1,0,0,0|2,0,0]=4 954 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [1,0,1,0,0,0|2,0,0]=4 955 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [1,0,1,0,0,0|2,0,0]=4 956 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [1,0,1,0,0,0|2,0,0]=4 957 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [1,0,1,0,0,0|2,0,0]=4 958 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [1,0,1,0,0,0|2,0,0]=4 959 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [1,0,1,0,0,0|2,0,0]=4 960 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [1,0,1,0,0,0|1,0,1]=4 961 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [1,0,1,0,0,0|1,0,1]=4 962 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,0,1,0,0,0|1,0,0]=3 963 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,0,1,0,0,0|1,0,0]=3 964 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,0,1,0,0,0|2,0,0]=4 965 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [1,0,1,0,0,0|2,0,0]=4 966 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,0,1,0,0,0|2,0,0]=4 967 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [1,0,1,0,0,0|2,0,0]=4 968 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [1,0,1,0,0,0|1,0,0]=3 969 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [1,0,1,0,0,0|1,0,0]=3 970 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [1,0,1,0,0,0|1,0,0]=3 971 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [1,0,1,0,0,0|1,0,0]=3 972 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,0,1,0,0,0|1,0,0]=3 973 B6R0.2 CC(C)OC(C)C 34a_100000212225_100000210206 [1,0,1,0,0,0|1,0,1]=4 974 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [1,0,1,0,0,0|2,0,0]=4 975 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,0,1,0,0,0|2,0,0]=4 976 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [1,0,1,0,0,0|2,0,0]=4 977 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,0,1,0,0,0|2,0,0]=4 978 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,0,1,0,0,0|2,0,0]=4 979 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,0,1,0,0,0|2,0,0]=4 980 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,0,1,0,0,0|2,0,0]=4 981 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,0,1,0,0,0|2,0,0]=4 982 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,0,1,0,0,0|2,0,0]=4 983 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,0,1,0,0,0|2,0,0]=4 984 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,0,1,0,0,0|2,0,0]=4 985 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,0,1,0,0,0|2,0,0]=4 986 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,0,1,0,0,0|2,0,0]=4 987 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,0,1,0,0,0|2,0,0]=4 988 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,0,1,0,0,0|2,0,0]=4 989 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,0,1,0,0,0|1,0,0]=3 990 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,0,1,0,0,0|1,0,0]=3 991 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [1,0,1,0,0,0|2,0,0]=4 992 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [1,0,1,0,0,0|2,0,0]=4 993 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [1,0,1,0,0,0|2,0,0]=4 994 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [1,0,1,0,0,0|2,0,0]=4 995 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [1,0,1,0,0,0|2,0,0]=4 996 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [1,0,1,0,0,0|2,0,0]=4 997 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [1,0,1,0,0,0|2,0,0]=4 998 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [1,0,1,0,0,0|2,0,0]=4 999 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,0,1,0,0,0|1,0,1]=4 1000 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,0,1,0,0,0|1,0,1]=4 1001 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,0,1,0,0,0|1,0,1]=4 1002 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,0,1,0,0,0|1,0,1]=4 1003 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,0,1,0,0,0|1,0,0]=3 1004 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,0,1,0,0,0|1,0,0]=3 1005 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,0,1,0,0,0|1,0,0]=3 1006 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,0,1,0,0,0|1,0,0]=3 1007 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,0,1,0,0,0|1,0,0]=3 1008 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,0,1,0,0,0|1,0,0]=3 1009 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,0,1,0,0,0|1,0,0]=3 1010 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [1,0,1,0,0,0|1,0,1]=4 1011 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [1,0,1,0,0,0|1,0,1]=4 1012 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,0,1,0,0,0|2,0,0]=4 1013 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,0,1,0,0,0|2,0,0]=4 1014 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,0,1,0,0,0|1,0,0]=3 1015 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,0,1,0,0,0|2,0,0]=4 1016 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,0,1,0,0,0|2,0,0]=4 1017 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,0,1,0,0,0|2,0,0]=4 1018 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,0,1,0,0,0|2,0,0]=4 1019 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,0,1,0,0,0|2,0,0]=4 1020 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,0,1,0,0,0|1,0,1]=4 1021 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,0,1,0,0,0|2,0,0]=4 1022 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,0,1,0,0,0|2,0,0]=4 1023 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,0,1,0,0,0|2,0,0]=4 1024 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,0,1,0,0,0|2,0,0]=4 1025 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,0,1,0,0,0|1,0,1]=4 1026 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,0,1,0,0,0|1,0,1]=4 1027 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,0,1,0,0,0|2,0,0]=4 1028 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,0,1,0,0,0|2,0,0]=4 1029 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,0,1,0,0,0|2,0,0]=4 1030 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,0,1,0,0,0|2,0,0]=4 1031 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [1,0,1,0,0,0|2,0,0]=4 1032 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [1,0,1,0,0,0|2,0,0]=4 1033 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [1,0,1,0,0,0|2,0,0]=4 1034 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [1,0,1,0,0,0|2,0,0]=4 1035 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,0,1,0,0,0|1,0,0]=3 1036 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,0,1,0,0,0|2,0,0]=4 1037 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,0,1,0,0,0|2,0,0]=4 1038 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,0,1,0,0,0|2,0,0]=4 1039 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,0,1,0,0,0|2,0,0]=4 1040 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,0,1,0,0,0|2,0,0]=4 1041 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,0,1,0,0,0|2,0,0]=4 1042 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,0,1,0,0,0|2,0,0]=4 1043 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,0,1,0,0,0|2,0,0]=4 1044 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,0,1,0,0,0|2,0,0]=4 1045 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [1,0,1,0,0,0|2,0,0]=4 1046 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,0,1,0,0,0|1,0,0]=3 1047 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,0,1,0,0,0|2,0,0]=4 1048 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,0,1,0,0,0|2,0,0]=4 1049 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,0,1,0,0,0|2,0,0]=4 1050 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,0,1,0,0,0|2,0,0]=4 1051 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,0,1,0,0,0|2,0,0]=4 1052 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,0,1,0,0,0|2,0,0]=4 1053 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,0,1,0,0,0|2,0,0]=4 1054 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [1,0,1,0,0,0|2,0,0]=4 1055 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [1,0,1,0,0,0|2,0,0]=4 1056 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,0,1,0,0,0|1,0,0]=3 1057 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,0,1,0,0,0|1,0,0]=3 1058 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [1,0,1,0,0,0|2,0,0]=4 1059 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,0,1,0,0,0|2,0,0]=4 1060 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,0,1,0,0,0|2,0,0]=4 1061 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,0,1,0,0,0|2,0,0]=4 1062 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,0,1,0,0,0|2,0,0]=4 1063 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,0,1,0,0,0|2,0,0]=4 1064 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [1,0,1,0,0,0|2,0,0]=4 1065 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [1,0,1,0,0,0|2,0,0]=4 1066 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [1,0,1,0,0,0|2,0,0]=4 1067 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [1,0,1,0,0,0|2,0,0]=4 1068 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [1,0,1,0,0,0|2,0,0]=4 1069 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [1,0,1,0,0,0|2,0,0]=4 1070 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [1,0,1,0,0,0|2,0,0]=4 1071 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [1,0,1,0,0,0|2,0,0]=4 1072 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [1,0,1,0,0,0|2,0,0]=4 1073 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [1,0,1,0,0,0|2,0,0]=4 1074 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [1,0,1,0,0,0|2,0,0]=4 1075 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [1,0,1,0,0,0|2,0,0]=4 1076 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [1,0,1,0,0,0|2,0,0]=4 1077 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [1,0,1,0,0,0|2,0,0]=4 1078 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [1,0,1,0,0,0|2,0,0]=4 1079 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [1,0,1,0,0,0|2,0,0]=4 1080 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [1,0,1,0,0,0|2,0,0]=4 1081 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [1,0,1,0,0,0|2,0,0]=4 1082 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [1,0,1,0,0,0|2,0,0]=4 1083 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [1,0,1,0,0,0|2,0,0]=4 1084 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [1,0,1,0,0,0|2,0,0]=4 1085 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [1,0,1,0,0,0|2,0,0]=4 1086 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [1,0,1,0,0,0|2,0,0]=4 1087 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [1,0,1,0,0,0|2,0,0]=4 1088 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [1,0,1,0,0,0|2,0,0]=4 1089 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [1,0,1,0,0,0|2,0,0]=4 1090 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [1,0,1,0,0,0|2,0,0]=4 1091 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [1,0,1,0,0,0|2,0,0]=4 1092 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [1,0,1,0,0,0|2,0,0]=4 1093 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [1,0,1,0,0,0|2,0,0]=4 1094 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [1,0,1,0,0,0|2,0,0]=4 1095 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [1,0,1,0,0,0|2,0,0]=4 1096 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [1,0,1,0,0,0|2,0,0]=4 1097 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [1,0,1,0,0,0|2,0,0]=4 1098 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [1,0,1,0,0,0|2,0,0]=4 1099 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [1,0,1,0,0,0|2,0,0]=4 1100 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [1,0,1,0,0,0|2,0,0]=4 1101 B6R0.6 CCC=NNCC 4a_100000756455_100000210100 [1,0,1,0,0,0|2,0,0]=4 1102 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [1,0,1,0,0,0|2,0,0]=4 1103 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [1,0,1,0,0,0|2,0,0]=4 1104 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [1,0,1,0,0,0|2,0,0]=4 1105 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [1,0,1,0,0,0|2,0,0]=4 1106 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [1,0,1,0,0,0|2,0,0]=4 1107 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [1,0,1,0,0,0|2,0,0]=4 1108 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [1,0,1,0,0,0|2,0,0]=4 1109 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [1,0,1,0,0,0|2,0,0]=4 1110 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [1,0,1,0,0,0|2,0,0]=4 1111 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [1,0,1,0,0,0|2,0,0]=4 1112 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [1,0,1,0,0,0|2,0,0]=4 1113 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [1,0,1,0,0,0|2,0,0]=4 1114 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [1,0,1,0,0,0|2,0,0]=4 1115 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [1,0,1,0,0,0|2,0,0]=4 1116 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [1,0,1,0,0,0|2,0,0]=4 1117 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [1,0,1,0,0,0|2,0,0]=4 1118 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [1,0,1,0,0,0|2,0,0]=4 1119 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [1,0,1,0,0,0|2,0,0]=4 1120 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [1,0,1,0,0,0|2,0,0]=4 1121 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [1,0,1,0,0,0|2,0,0]=4 1122 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [1,0,1,0,0,0|2,0,0]=4 1123 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [1,0,1,0,0,0|2,0,0]=4 1124 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [1,0,1,0,0,0|1,0,1]=4 1125 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [1,0,1,0,0,0|1,0,1]=4 1126 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [1,0,1,0,0,0|1,0,0]=3 1127 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [1,0,1,0,0,0|1,0,1]=4 1128 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [1,0,1,0,0,0|0,0,1]=3 1129 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [1,0,1,0,0,0|1,0,1]=4 1130 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [1,0,1,0,0,0|1,0,1]=4 1131 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [1,0,1,0,0,0|1,0,1]=4 1132 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [1,0,1,0,0,0|1,0,1]=4 1133 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [1,0,1,0,0,0|1,0,0]=3 1134 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [1,0,1,0,0,0|1,0,0]=3 1135 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [1,0,1,0,0,0|0,1,1]=4 1136 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [1,0,1,0,0,0|1,0,1]=4 1137 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [1,0,1,0,0,0|1,0,1]=4 1138 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [1,0,1,0,0,0|1,0,1]=4 1139 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [1,0,1,0,0,0|1,0,1]=4 1140 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [1,0,1,0,0,0|1,0,1]=4 1141 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [1,0,1,0,0,0|1,0,1]=4 1142 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [1,0,1,0,0,0|1,0,0]=3 1143 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [1,0,1,0,0,0|1,0,0]=3 1144 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [1,0,1,0,0,0|1,0,1]=4 1145 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [1,0,1,0,0,0|1,0,1]=4 1146 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [1,0,1,0,0,0|1,0,1]=4 1147 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [1,0,1,0,0,0|1,0,1]=4 1148 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [1,0,1,0,0,0|1,0,1]=4 1149 B6R0.6 COCCCCO 34a_100138415774_100011216708 [1,0,1,0,0,0|1,0,1]=4 1150 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [1,0,1,0,0,0|2,0,0]=4 1151 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [1,0,1,0,0,0|2,0,0]=4 1152 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [1,0,1,0,0,0|1,0,0]=3 1153 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [1,0,1,0,0,0|1,0,0]=3 1154 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [1,0,1,0,0,0|1,0,1]=4 1155 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [1,0,1,0,0,0|1,0,1]=4 1156 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [1,0,1,0,0,0|2,0,0]=4 1157 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [1,0,1,0,0,0|2,0,0]=4 1158 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [1,0,1,0,0,0|2,0,0]=4 1159 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [1,0,1,0,0,0|2,0,0]=4 1160 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [1,0,1,0,0,0|2,0,0]=4 1161 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [1,0,1,0,0,0|2,0,0]=4 1162 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [1,0,1,0,0,0|2,0,0]=4 1163 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [1,0,1,0,0,0|2,0,0]=4 1164 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [1,0,1,0,0,0|2,0,0]=4 1165 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [1,0,1,0,0,0|2,0,0]=4 1166 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [1,0,1,0,0,0|2,0,0]=4 1167 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [1,0,1,0,0,0|1,0,1]=4 1168 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [1,0,1,0,0,0|1,0,1]=4 1169 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [1,0,1,0,0,0|1,0,0]=3 1170 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [1,0,1,0,0,0|1,0,0]=3 1171 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [1,0,1,0,0,0|1,0,1]=4 1172 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [1,0,1,0,0,0|1,0,1]=4 1173 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [1,0,1,0,0,0|2,0,0]=4 1174 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [1,0,1,0,0,0|2,0,0]=4 1175 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [1,0,1,0,0,0|2,0,0]=4 1176 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [1,0,1,0,0,0|2,0,0]=4 1177 B6R0.9 CCC(CC)NC 2230a_100000199018_200000210301 [1,0,1,0,0,0|1,0,1]=4 1178 B6R0.9 CCC(CC)NC 270004a_106832991635_100000210860 [1,0,1,0,0,0|1,0,1]=4 1179 B6R0.9 CCC(CC)NC 7a_106832991635_100000210505 [1,0,1,0,0,0|1,0,1]=4 1180 B6R0.9 CCC(CC)N[13CH3] 2230a_100000199018_200025704644 [1,0,1,0,0,0|1,0,1]=4 1181 B6R0.9 CCC(CC)OC 7a_100000688536_200000210301 [1,0,1,0,0,0|0,0,1]=3 1182 B6R0.9 CCC(CC)O[13CH3] 7a_100000688536_200025704644 [1,0,1,0,0,0|0,0,1]=3 1183 B6R0.9 CCC(CC)SC 62a_100000210505_200000210301 [1,0,1,0,0,0|0,1,1]=4 1184 B6R0.9 CCC(CC)SC 62a_200000210301_100000210505 [1,0,1,0,0,0|0,1,1]=4 1185 B6R0.9 CCC(CC)S[13CH3] 62a_100000210505_200025704644 [1,0,1,0,0,0|0,1,1]=4 1186 B6R0.9 CCC(CC)S[13CH3] 62a_200025704644_100000210505 [1,0,1,0,0,0|0,1,1]=4 1187 B8R0.2 C=C(C)C(=O)C(C)CC 1458a_100000185857_100000758301 [0,1,1,0,0,0|2,0,0]=4 1188 B8R0.2 CC(=O)N(C)C(C)CO 240690a_100000693034_100015343762 [0,1,1,0,0,0|2,0,0]=4 1189 B8R0.2 CC(=O)N(C)C(C)CO 527a_100000693034_100103153847 [0,1,1,0,0,0|2,0,0]=4 1190 B8R0.2 CCC(C)N(C)C(=O)C 11a_100000741768_100015343762 [0,1,1,0,0,0|1,0,0]=3 1191 B8R0.2 CCC(C)N(C)C(=O)C 1626a_100000741768_100015343762 [0,1,1,0,0,0|1,0,0]=3 1192 B8R0.2 CCC(C)N(C)C(=O)C 240690a_100000741768_100015343762 [0,1,1,0,0,0|1,0,0]=3 1193 B8R0.2 CCC(C)N(C)C(=O)C 527a_100000741768_100103153847 [0,1,1,0,0,0|1,0,0]=3 1194 B8R0.2 CCN(C)C(C)C(=O)C 1458a_100011281945_200000210301 [0,1,1,0,0,0|2,0,0]=4 1195 B8R0.2 CCN(C)C(C)C(=O)C 2230a_100000225621_100009814033 [0,1,1,0,0,0|2,0,0]=4 1196 B8R0.2 CCN(C)C(C)C(=O)C 269982a_100000225621_100009814033 [0,1,1,0,0,0|2,0,0]=4 1197 B8R0.2 CCN(C)C(C)C(=O)[13CH3] 1458a_100011281945_200025704644 [0,1,1,0,0,0|2,0,0]=4 1198 B8R0.5 CC(=O)N[C@@H](C)CC#N 11a_100016994482_100015343762 [0,1,1,0,0,0|1,0,1]=4 1199 B8R0.5 CC(=O)N[C@@H](C)CC#N 1626a_100016994482_100015343762 [0,1,1,0,0,0|1,0,1]=4 1200 B8R0.5 CC(=O)N[C@@H](C)CC#N 240690a_100016994482_100015343762 [0,1,1,0,0,0|1,0,1]=4 1201 B8R0.5 CC(=O)N[C@@H](C)CC#N 527a_100016994482_100103153847 [0,1,1,0,0,0|1,0,1]=4 1202 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [0,1,1,0,0,0|1,0,0]=3 1203 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [0,1,1,0,0,0|1,0,0]=3 1204 B8R0.5 CC(=O)OC(C)SCF 62a_100009818208_100015361967 [0,1,1,0,0,0|1,0,0]=3 1205 B8R0.5 CC(=O)OC(C)SCF 62a_100015361967_100009818208 [0,1,1,0,0,0|1,0,0]=3 1206 B8R0.5 CC(C)OC(C)CCBr 34a_100012276601_100000210206 [0,1,1,0,0,0|1,0,1]=4 1207 B8R0.5 CC(C)OC(C)CCO 34a_100000212225_100009893172 [0,1,1,0,0,0|1,0,1]=4 1208 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [0,1,1,0,0,0|1,0,1]=4 1209 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [0,1,1,0,0,0|1,0,1]=4 1210 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,1,1,0,0,0|1,0,0]=3 1211 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,1,1,0,0,0|1,0,0]=3 1212 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,1,1,0,0,0|1,0,0]=3 1213 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [0,1,1,0,0,0|1,0,0]=3 1214 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [0,1,1,0,0,0|1,0,0]=3 1215 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [0,1,1,0,0,0|1,0,0]=3 1216 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [0,1,1,0,0,0|1,0,0]=3 1217 B8R0.5 CCCC(C)OC(C)C 34a_100000212225_100000766640 [0,1,1,0,0,0|1,0,1]=4 1218 B8R0.5 CCCC(C)OC(C)C 34a_100000764384_100000210206 [0,1,1,0,0,0|1,0,1]=4 1219 B8R0.5 CCCC(C)OC(C)C 7a_100000764384_100000210206 [0,1,1,0,0,0|1,0,1]=4 1220 B8R0.5 CCOC(C)C=C(C)C 34a_100000717055_100000210202 [0,1,1,0,0,0|2,0,0]=4 1221 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [0,1,1,0,0,0|1,0,0]=3 1222 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [0,1,1,0,0,0|1,0,0]=3 1223 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [0,1,1,0,0,0|0,0,0]=2 1224 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [0,1,1,0,0,0|0,0,0]=2 1225 B8R0.5 COCC(C)OC(C)C 34a_100000212225_100000765312 [0,1,1,0,0,0|1,0,1]=4 1226 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [0,1,1,0,0,0|1,0,0]=3 1227 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [0,1,1,0,0,0|1,0,0]=3 1228 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [0,1,1,0,0,0|1,0,0]=3 1229 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [0,1,1,0,0,0|1,0,0]=3 1230 B8R0.5 COC[C@@H](C)OC(C)C 34a_100011934205_100000210206 [0,1,1,0,0,0|1,0,1]=4 1231 B8R0.16 CC(=O)NC(CO)CO 240690a_100000759517_100015343762 [0,1,1,0,0,0|2,0,0]=4 1232 B8R0.16 CC(=O)NC(CO)CO 527a_100000759517_100103153847 [0,1,1,0,0,0|2,0,0]=4 1233 B8R0.16 CCC(CC)CC(=O)C 1458a_100000070787_100011215472 [0,1,1,0,0,0|1,0,0]=3 1234 B8R0.16 CCC(CC)NC(=O)C 11a_100000199018_100015343762 [0,1,1,0,0,0|1,0,0]=3 1235 B8R0.16 CCC(CC)NC(=O)C 1626a_100000199018_100015343762 [0,1,1,0,0,0|1,0,0]=3 1236 B8R0.16 CCC(CC)NC(=O)C 240690a_100000199018_100015343762 [0,1,1,0,0,0|1,0,0]=3 1237 B8R0.16 CCC(CC)NC(=O)C 527a_100000199018_100103153847 [0,1,1,0,0,0|1,0,0]=3 1238 B8R0.16 CCC(CC)OC(C)C 7a_100000688536_100000210206 [0,1,1,0,0,0|1,0,1]=4 1239 B8R0.16 CCN(CC)CC(=O)C 1458a_100000758533_200000210301 [0,1,1,0,0,0|2,0,0]=4 1240 B8R0.16 CCN(CC)CC(=O)[13CH3] 1458a_100000758533_200025704644 [0,1,1,0,0,0|2,0,0]=4 1241 B8R0.16 CC[C@@H](CO)NC(=O)C 240690a_100000709445_100015343762 [0,1,1,0,0,0|1,0,0]=3 1242 B8R0.16 CC[C@@H](CO)NC(=O)C 527a_100000709445_100103153847 [0,1,1,0,0,0|1,0,0]=3 1243 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [0,1,1,0,0,0|2,0,0]=4 1244 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [0,1,1,0,0,0|2,0,0]=4 1245 B8R0.16 COC(CC(=O)C)OC 1458a_100000070787_100000751394 [0,1,1,0,0,0|2,0,0]=4 1246 B8R0.16 COC(CC(=O)C)OC 1458a_100000082724_200000210301 [0,1,1,0,0,0|2,0,0]=4 1247 B8R0.16 COC(CC(=O)[13CH3])OC 1458a_100000082724_200025704644 [0,1,1,0,0,0|2,0,0]=4 1248 B8R0.19 C#CC(=O)CC(C)CC 1458a_100000211873_100000748023 [0,1,1,0,0,0|1,0,1]=4 1249 B8R0.19 C#CC(=O)C[C@@H](C)CC 1458a_100000211873_100009816398 [0,1,1,0,0,0|1,0,1]=4 1250 B8R0.19 C#C[C@@H](C)OC(C)CC 34a_100009815206_100011215416 [0,1,1,0,0,0|1,0,1]=4 1251 B8R0.19 C#C[C@@H](C)OC(C)CC 7a_100009815206_100000758301 [0,1,1,0,0,0|1,0,1]=4 1252 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [0,1,1,0,0,0|1,0,1]=4 1253 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [0,1,1,0,0,0|1,0,1]=4 1254 B8R0.19 C=CC(=O)NC(C)CC 1626a_100000209981_100000185746 [0,1,1,0,0,0|1,0,1]=4 1255 B8R0.19 C=CC(=O)NC(C)CC 240690a_100000209981_200121576911 [0,1,1,0,0,0|1,0,1]=4 1256 B8R0.19 C=CC(C)OC(C)CC 34a_100000695699_100011215416 [0,1,1,0,0,0|1,0,1]=4 1257 B8R0.19 CCC(=CC(=O)CF)C 1458a_100020758463_100015361967 [0,1,1,0,0,0|1,0,1]=4 1258 B8R0.19 CCC(=CC(=O)NC)C 11a_106832991635_100020758463 [0,1,1,0,0,0|1,0,1]=4 1259 B8R0.19 CCC(=CC(=O)NC)C 1626a_100102657272_100020758463 [0,1,1,0,0,0|1,0,1]=4 1260 B8R0.19 CCC(=CC(=O)NC)C 240690a_100102657272_100020758463 [0,1,1,0,0,0|1,0,1]=4 1261 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [0,1,1,0,0,0|1,0,1]=4 1262 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [0,1,1,0,0,0|1,0,0]=3 1263 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [0,1,1,0,0,0|1,0,0]=3 1264 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [0,1,1,0,0,0|2,0,0]=4 1265 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [0,1,1,0,0,0|2,0,0]=4 1266 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [0,1,1,0,0,0|2,0,0]=4 1267 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [0,1,1,0,0,0|2,0,0]=4 1268 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [0,1,1,0,0,0|1,0,0]=3 1269 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [0,1,1,0,0,0|2,0,0]=4 1270 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [0,1,1,0,0,0|1,0,0]=3 1271 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [0,1,1,0,0,0|1,0,0]=3 1272 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [0,1,1,0,0,0|1,0,0]=3 1273 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [0,1,1,0,0,0|1,0,0]=3 1274 B8R0.19 CCC(=O)N[C@H](C)CF 11a_100102880703_100000210414 [0,1,1,0,0,0|2,0,0]=4 1275 B8R0.19 CCC(=O)N[C@H](C)CF 1626a_100102880703_100000210414 [0,1,1,0,0,0|2,0,0]=4 1276 B8R0.19 CCC(=O)N[C@H](C)CF 240690a_100102880703_100000210414 [0,1,1,0,0,0|2,0,0]=4 1277 B8R0.19 CCC(=O)N[C@H](C)CF 527a_100102880703_100000210414 [0,1,1,0,0,0|2,0,0]=4 1278 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [0,1,1,0,0,0|2,0,0]=4 1279 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [0,1,1,0,0,0|2,0,0]=4 1280 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [0,1,1,0,0,0|1,0,0]=3 1281 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [0,1,1,0,0,0|1,0,0]=3 1282 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [0,1,1,0,0,0|1,0,0]=3 1283 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [0,1,1,0,0,0|1,0,0]=3 1284 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [0,1,1,0,0,0|1,0,0]=3 1285 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [0,1,1,0,0,0|1,0,0]=3 1286 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [0,1,1,0,0,0|1,0,0]=3 1287 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [0,1,1,0,0,0|1,0,0]=3 1288 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [0,1,1,0,0,0|1,0,0]=3 1289 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [0,1,1,0,0,0|1,0,0]=3 1290 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [0,1,1,0,0,0|1,0,0]=3 1291 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [0,1,1,0,0,0|1,0,0]=3 1292 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [0,1,1,0,0,0|1,0,0]=3 1293 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [0,1,1,0,0,0|1,0,0]=3 1294 B8R0.19 CCC(C)OC(C)C#N 34a_100011218135_100011215416 [0,1,1,0,0,0|1,0,1]=4 1295 B8R0.19 CCC(C)OC(C)C#N 7a_100000210228_100000703298 [0,1,1,0,0,0|1,0,1]=4 1296 B8R0.19 CCC(C)OC(C)CC 7a_100000210228_100000758301 [0,1,1,0,0,0|1,0,1]=4 1297 B8R0.19 CCC(C)OC(C)CF 34a_100016041109_100011215416 [0,1,1,0,0,0|1,0,1]=4 1298 B8R0.19 CCC(C)OC(C)CF 7a_100016041109_100000758301 [0,1,1,0,0,0|1,0,1]=4 1299 B8R0.19 CCC(C)OC(C)CN 34a_100000210904_100011215416 [0,1,1,0,0,0|1,0,1]=4 1300 B8R0.19 CCC(C)OC(C)CO 7a_100000210228_100012180447 [0,1,1,0,0,0|0,0,2]=4 1301 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [0,1,1,0,0,0|2,0,0]=4 1302 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [0,1,1,0,0,0|2,0,0]=4 1303 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [0,1,1,0,0,0|2,0,0]=4 1304 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [0,1,1,0,0,0|2,0,0]=4 1305 B8R0.19 CCN(C)CC(=O)CF 1458a_100116209913_100015361967 [0,1,1,0,0,0|2,0,0]=4 1306 B8R0.19 CCN(C)CC(=O)NC 2230a_100000189611_100000210202 [0,1,1,0,0,0|2,0,0]=4 1307 B8R0.19 CCN(C)CC(=O)NC 2230a_100000225621_100000183359 [0,1,1,0,0,0|2,0,0]=4 1308 B8R0.19 CCN(C)CC(=O)NC 240690a_100102657272_100116209913 [0,1,1,0,0,0|2,0,0]=4 1309 B8R0.19 CCN(C)CC(=O)NC 269982a_100000225621_100000183359 [0,1,1,0,0,0|2,0,0]=4 1310 B8R0.19 CCN(C)CC(=O)NC 527a_100102657272_100116209913 [0,1,1,0,0,0|2,0,0]=4 1311 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [0,1,1,0,0,0|2,0,0]=4 1312 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [0,1,1,0,0,0|2,0,0]=4 1313 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [0,1,1,0,0,0|2,0,0]=4 1314 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [0,1,1,0,0,0|1,0,0]=3 1315 B8R0.19 CNC(=O)N[C@H](C)CF 2708a_100102657272_100102880703 [0,1,1,0,0,0|2,0,0]=4 1316 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102657272_100102880703 [0,1,1,0,0,0|2,0,0]=4 1317 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102880703_100102657272 [0,1,1,0,0,0|2,0,0]=4 1318 B8R0.19 CNC(=O)N[C@H](C)CF 512a_100102880703_100102657272 [0,1,1,0,0,0|2,0,0]=4 1319 B8R0.19 CNC(=O)N[C@H](C)CF 512a_106832991638_100102880703 [0,1,1,0,0,0|2,0,0]=4 1320 B8R0.19 CNC(=O)N[C@H](C)CO 2708a_100102657272_100000737577 [0,1,1,0,0,0|2,0,0]=4 1321 B8R0.19 CNC(=O)N[C@H](C)CO 273464a_100000737577_100102657272 [0,1,1,0,0,0|2,0,0]=4 1322 B8R0.19 CNC(=O)N[C@H](C)CO 512a_100000737577_100102657272 [0,1,1,0,0,0|2,0,0]=4 1323 B8R0.19 CNC(=O)N[C@H](C)CO 512a_106832991638_100000737577 [0,1,1,0,0,0|2,0,0]=4 1324 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [0,1,1,0,0,0|2,0,0]=4 1325 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [0,1,1,0,0,0|2,0,0]=4 1326 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [0,1,1,0,0,0|2,0,0]=4 1327 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [0,1,1,0,0,0|2,0,0]=4 1328 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [0,1,1,0,0,0|2,0,0]=4 1329 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [0,1,1,0,0,0|2,0,0]=4 1330 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [0,1,1,0,0,0|2,0,0]=4 1331 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [0,1,1,0,0,0|2,0,0]=4 1332 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [0,1,1,0,0,0|2,0,0]=4 1333 B8R0.19 C[C@H](CF)NC(=O)CO 240690a_100102880703_100000210174 [0,1,1,0,0,0|2,0,0]=4 1334 B8R0.19 C[C@H](CF)NC(=O)CO 527a_100102880703_100000210174 [0,1,1,0,0,0|2,0,0]=4 1335 B8R0.19 C[C@H](CO)NC(=O)CO 240690a_100000737577_100000210174 [0,1,1,0,0,0|2,0,0]=4 1336 B8R0.19 C[C@H](CO)NC(=O)CO 527a_100000737577_100000210174 [0,1,1,0,0,0|2,0,0]=4 1337 B8R0.23 CC(=O)CC(C)N(C)C 1458a_100011311895_200000210301 [0,1,1,0,0,0|2,0,0]=4 1338 B8R0.23 CC(=O)CN(C)C(C)C 1458a_100000743827_200000210301 [0,1,1,0,0,0|2,0,0]=4 1339 B8R0.23 CC(=O)NC(C)C(C)C 11a_100000211541_100015343762 [0,1,1,0,0,0|1,0,0]=3 1340 B8R0.23 CC(=O)NC(C)C(C)C 1626a_100000211541_100015343762 [0,1,1,0,0,0|1,0,0]=3 1341 B8R0.23 CC(=O)NC(C)C(C)C 240690a_100000211541_100015343762 [0,1,1,0,0,0|1,0,0]=3 1342 B8R0.23 CC(=O)NC(C)C(C)C 527a_100000211541_100103153847 [0,1,1,0,0,0|1,0,0]=3 1343 B8R0.23 CC(=O)N[C@H](C)C(=O)C 1458a_100011504603_200000210301 [0,1,1,0,0,0|1,0,1]=4 1344 B8R0.23 CC(=O)N[C@H](C)C(=O)[13CH3] 1458a_100011504603_200025704644 [0,1,1,0,0,0|1,0,1]=4 1345 B8R0.23 CC(=O)OC(C)C(=O)C 1458a_100000070787_100009818208 [0,1,1,0,0,0|0,0,1]=3 1346 B8R0.23 CC(=O)OC(C)N(C)C 269982a_100102631434_100009818208 [0,1,1,0,0,0|1,0,0]=3 1347 B8R0.23 CC(=O)O[C@@H](C)C(=O)C 1458a_100009816467_200000210301 [0,1,1,0,0,0|0,0,1]=3 1348 B8R0.23 CC(=O)O[C@@H](C)C(=O)[13CH3] 1458a_100009816467_200025704644 [0,1,1,0,0,0|0,0,1]=3 1349 B8R0.23 CC(C)N(C)CC(=O)[13CH3] 1458a_100000743827_200025704644 [0,1,1,0,0,0|2,0,0]=4 1350 B8R0.23 CC(C)OC(C)C(C)C 7a_100000748068_100000210206 [0,1,1,0,0,0|1,0,1]=4 1351 B8R0.23 CC(CC(=O)[13CH3])N(C)C 1458a_100011311895_200025704644 [0,1,1,0,0,0|2,0,0]=4 1352 B8R0.24 CCC(C)NS(=O)(=O)C 40a_100000209981_100000738038 [0,1,1,0,0,0|2,0,0]=4 1353 B8R0.24 CCC(C)OC(C)(C)C 34a_100015890283_100011215416 [0,1,1,0,0,0|1,0,1]=4 1354 B8R0.24 CCC(C)OC(C)(C)C 7a_100015890283_100000758301 [0,1,1,0,0,0|1,0,1]=4 1355 B8R0.34 CC(=O)CC(C)(C)O[13CH3] 7a_100000210262_200025704644 [0,1,1,0,0,0|2,0,0]=4 1356 B8R0.34 CC(=O)NC(C)(C)CO 240690a_100000210608_100015343762 [0,1,1,0,0,0|2,0,0]=4 1357 B8R0.34 CC(=O)NC(C)(C)CO 527a_100020618417_100103153847 [0,1,1,0,0,0|2,0,0]=4 1358 B8R0.34 CCC(C)(C)CC(=O)C 1458a_200000763500_200000210301 [0,1,1,0,0,0|1,0,0]=3 1359 B8R0.34 CCC(C)(C)CC(=O)[13CH3] 1458a_200000763500_200025704644 [0,1,1,0,0,0|1,0,0]=3 1360 B8R0.34 CCC(C)(C)NC(=O)C 11a_100000211385_100015343762 [0,1,1,0,0,0|1,0,0]=3 1361 B8R0.34 CCC(C)(C)NC(=O)C 1626a_100000211385_100015343762 [0,1,1,0,0,0|1,0,0]=3 1362 B8R0.34 CCC(C)(C)NC(=O)C 240690a_100000211385_100015343762 [0,1,1,0,0,0|1,0,0]=3 1363 B8R0.34 CCC(C)(C)NC(=O)C 527a_100000211385_100103153847 [0,1,1,0,0,0|1,0,0]=3 1364 B8R0.34 CCC(C)(C)OC(C)C 7a_100000210230_100000210206 [0,1,1,0,0,0|1,0,1]=4 1365 B8R0.34 CCC(C)(O)CC(=O)C 1458a_200011219800_200000210301 [0,1,1,0,0,0|1,0,0]=3 1366 B8R0.34 CCC(C)(O)CC(=O)[13CH3] 1458a_200011219800_200025704644 [0,1,1,0,0,0|1,0,0]=3 1367 B8R0.34 COC(C)(C)CC(=O)C 7a_100000210262_200000210301 [0,1,1,0,0,0|2,0,0]=4 1368 B8R0.1 C#CCC(=O)CCCC 1458a_100000210183_100000184674 [0,1,1,0,0,0|1,0,1]=4 1369 B8R0.1 C#CCC(=O)CCCC 1458a_100011220946_100000210211 [0,1,1,0,0,0|1,0,1]=4 1370 B8R0.1 C#CCC(=O)NCCC 1626a_100020643023_100011220946 [0,1,1,0,0,0|1,0,1]=4 1371 B8R0.1 C#CCC(=O)NCCC 527a_100020643023_100011220946 [0,1,1,0,0,0|1,0,1]=4 1372 B8R0.1 C=C(CNC)OCOC 34a_100102657272_100000042856 [0,1,1,0,0,0|2,0,0]=4 1373 B8R0.1 C=C(COC)OCOC 34a_100138415774_100000042856 [0,1,1,0,0,0|2,0,0]=4 1374 B8R0.1 C=C(CSC)OCOC 62a_100000042856_200000210301 [0,1,1,0,0,0|2,0,0]=4 1375 B8R0.1 C=C(CSC)OCOC 62a_200000210301_100000042856 [0,1,1,0,0,0|2,0,0]=4 1376 B8R0.1 C=C(CS[13CH3])OCOC 62a_100000042856_200025704644 [0,1,1,0,0,0|2,0,0]=4 1377 B8R0.1 C=C(CS[13CH3])OCOC 62a_200025704644_100000042856 [0,1,1,0,0,0|2,0,0]=4 1378 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [0,1,1,0,0,0|1,0,1]=4 1379 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [0,1,1,0,0,0|1,0,1]=4 1380 B8R0.1 C=CCC(=O)NCCC 11a_100020643023_100000210193 [0,1,1,0,0,0|1,0,1]=4 1381 B8R0.1 C=CCC(=O)NCCC 1626a_100020643023_100000210193 [0,1,1,0,0,0|1,0,1]=4 1382 B8R0.1 C=CCC(=O)NCCC 240690a_100020643023_100000210193 [0,1,1,0,0,0|1,0,1]=4 1383 B8R0.1 C=CCC(=O)NCCC 527a_100020643023_100000210193 [0,1,1,0,0,0|1,0,1]=4 1384 B8R0.1 C=CCCC(C)NCC 270004a_100015525214_100000762624 [0,1,1,0,0,0|2,0,0]=4 1385 B8R0.1 C=CCCC(C)OCC 34a_100000765329_100000210202 [0,1,1,0,0,0|2,0,0]=4 1386 B8R0.1 C=CCCC(C)OCC 7a_100000765329_100000210202 [0,1,1,0,0,0|2,0,0]=4 1387 B8R0.1 C=CCOC(=O)CNC 2230a_106832991635_100000033060 [0,1,1,0,0,0|0,0,2]=4 1388 B8R0.1 C=CCOC(=O)CNC 34a_100102657272_100000033060 [0,1,1,0,0,0|0,0,2]=4 1389 B8R0.1 C=CCOC(=O)CNC 7a_106832991635_100000033060 [0,1,1,0,0,0|0,0,2]=4 1390 B8R0.1 C=CCOC(=O)COC 34a_100138415774_100000033060 [0,1,1,0,0,0|0,0,2]=4 1391 B8R0.1 C=CCOC(=O)CSC 62a_100000033060_200000210301 [0,1,1,0,0,0|0,0,2]=4 1392 B8R0.1 C=CCOC(=O)CSC 62a_200000210301_100000033060 [0,1,1,0,0,0|0,0,2]=4 1393 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_100000033060_200025704644 [0,1,1,0,0,0|0,0,2]=4 1394 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_200025704644_100000033060 [0,1,1,0,0,0|0,0,2]=4 1395 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [0,1,1,0,0,0|1,0,1]=4 1396 B8R0.1 CC(CCBr)OCC=O 34a_100012276601_200009817547 [0,1,1,0,0,0|2,0,0]=4 1397 B8R0.1 CC(CCO)SCC=O 62a_100009893172_200015260668 [0,1,1,0,0,0|2,0,0]=4 1398 B8R0.1 CC(CCO)SCC=O 62a_200015260668_100009893172 [0,1,1,0,0,0|2,0,0]=4 1399 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [0,1,1,0,0,0|1,0,1]=4 1400 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [0,1,1,0,0,0|1,0,1]=4 1401 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [0,1,1,0,0,0|1,0,1]=4 1402 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [0,1,1,0,0,0|1,0,1]=4 1403 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [0,1,1,0,0,0|1,0,1]=4 1404 B8R0.1 CCC#CC(=O)CCF 1458a_100011827653_100011217306 [0,1,1,0,0,0|1,0,1]=4 1405 B8R0.1 CCC#CC(=O)CCO 1458a_100011827653_100000211926 [0,1,1,0,0,0|1,0,1]=4 1406 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [0,1,1,0,0,0|1,0,1]=4 1407 B8R0.1 CCC=CC(=O)CCF 1458a_100000212282_100011217306 [0,1,1,0,0,0|1,0,1]=4 1408 B8R0.1 CCC=CC(=O)CCO 1458a_100000212282_100000211926 [0,1,1,0,0,0|1,0,1]=4 1409 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [0,1,1,0,0,0|1,0,1]=4 1410 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [0,1,1,0,0,0|1,0,1]=4 1411 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [0,1,1,0,0,0|2,0,0]=4 1412 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [0,1,1,0,0,0|2,0,0]=4 1413 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [0,1,1,0,0,0|2,0,0]=4 1414 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [0,1,1,0,0,0|2,0,0]=4 1415 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [0,1,1,0,0,0|2,0,0]=4 1416 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [0,1,1,0,0,0|2,0,0]=4 1417 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [0,1,1,0,0,0|2,0,0]=4 1418 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [0,1,1,0,0,0|2,0,0]=4 1419 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [0,1,1,0,0,0|2,0,0]=4 1420 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [0,1,1,0,0,0|2,0,0]=4 1421 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [0,1,1,0,0,0|2,0,0]=4 1422 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [0,1,1,0,0,0|2,0,0]=4 1423 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [0,1,1,0,0,0|2,0,0]=4 1424 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [0,1,1,0,0,0|2,0,0]=4 1425 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [0,1,1,0,0,0|2,0,0]=4 1426 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [0,1,1,0,0,0|2,0,0]=4 1427 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [0,1,1,0,0,0|2,0,0]=4 1428 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [0,1,1,0,0,0|2,0,0]=4 1429 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [0,1,1,0,0,0|1,0,0]=3 1430 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [0,1,1,0,0,0|1,0,0]=3 1431 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [0,1,1,0,0,0|1,0,0]=3 1432 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [0,1,1,0,0,0|1,0,0]=3 1433 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [0,1,1,0,0,0|1,0,0]=3 1434 B8R0.1 CCCC(C)NCC=O 2230a_100000741246_200015260668 [0,1,1,0,0,0|2,0,0]=4 1435 B8R0.1 CCCC(C)OCC=O 34a_100000764384_200009817547 [0,1,1,0,0,0|2,0,0]=4 1436 B8R0.1 CCCC(C)OCC=O 7a_100000764384_200015260668 [0,1,1,0,0,0|2,0,0]=4 1437 B8R0.1 CCCC(C)SCC=O 62a_100000766640_200015260668 [0,1,1,0,0,0|2,0,0]=4 1438 B8R0.1 CCCC(C)SCC=O 62a_200015260668_100000766640 [0,1,1,0,0,0|2,0,0]=4 1439 B8R0.1 CCCCC(=O)CC#N 1458a_100000210183_100011214920 [0,1,1,0,0,0|1,0,1]=4 1440 B8R0.1 CCCCC(=O)CC#N 1458a_100051588842_100000210211 [0,1,1,0,0,0|1,0,1]=4 1441 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [0,1,1,0,0,0|1,0,0]=3 1442 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [0,1,1,0,0,0|1,0,0]=3 1443 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [0,1,1,0,0,0|1,0,0]=3 1444 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [0,1,1,0,0,0|1,0,0]=3 1445 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [0,1,1,0,0,0|1,0,0]=3 1446 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [0,1,1,0,0,0|1,0,0]=3 1447 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [0,1,1,0,0,0|1,0,0]=3 1448 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [0,1,1,0,0,0|1,0,0]=3 1449 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [0,1,1,0,0,0|1,0,0]=3 1450 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [0,1,1,0,0,0|1,0,0]=3 1451 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [0,1,1,0,0,0|2,0,0]=4 1452 B8R0.1 CCCNC(=O)CC#N 1626a_100020643023_100051588842 [0,1,1,0,0,0|1,0,1]=4 1453 B8R0.1 CCCNC(=O)CC#N 240690a_100020643023_100051588842 [0,1,1,0,0,0|1,0,1]=4 1454 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [0,1,1,0,0,0|1,0,0]=3 1455 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [0,1,1,0,0,0|1,0,0]=3 1456 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [0,1,1,0,0,0|1,0,0]=3 1457 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [0,1,1,0,0,0|1,0,0]=3 1458 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [0,1,1,0,0,0|1,0,0]=3 1459 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [0,1,1,0,0,0|1,0,0]=3 1460 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [0,1,1,0,0,0|1,0,0]=3 1461 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [0,1,1,0,0,0|1,0,0]=3 1462 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [0,1,1,0,0,0|1,0,0]=3 1463 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [0,1,1,0,0,0|1,0,0]=3 1464 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [0,1,1,0,0,0|1,0,0]=3 1465 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [0,1,1,0,0,0|1,0,0]=3 1466 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [0,1,1,0,0,0|1,0,0]=3 1467 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [0,1,1,0,0,0|1,0,0]=3 1468 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [0,1,1,0,0,0|1,0,0]=3 1469 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [0,1,1,0,0,0|1,0,0]=3 1470 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [0,1,1,0,0,0|1,0,0]=3 1471 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [0,1,1,0,0,0|1,0,0]=3 1472 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [0,1,1,0,0,0|1,0,0]=3 1473 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [0,1,1,0,0,0|1,0,0]=3 1474 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [0,1,1,0,0,0|1,0,0]=3 1475 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [0,1,1,0,0,0|1,0,0]=3 1476 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [0,1,1,0,0,0|1,0,0]=3 1477 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [0,1,1,0,0,0|1,0,0]=3 1478 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [0,1,1,0,0,0|1,0,0]=3 1479 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [0,1,1,0,0,0|1,0,0]=3 1480 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [0,1,1,0,0,0|1,0,0]=3 1481 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [0,1,1,0,0,0|1,0,0]=3 1482 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [0,1,1,0,0,0|1,0,0]=3 1483 B8R0.1 CCCNC(=O)NNC 273464a_100020643023_100016993582 [0,1,1,0,0,0|2,0,0]=4 1484 B8R0.1 CCCNC(=O)NNC 512a_100016993582_100020643023 [0,1,1,0,0,0|2,0,0]=4 1485 B8R0.1 CCCNC(=O)NNC 512a_100020643023_100016993582 [0,1,1,0,0,0|2,0,0]=4 1486 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [0,1,1,0,0,0|0,0,0]=2 1487 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [0,1,1,0,0,0|0,0,0]=2 1488 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [0,1,1,0,0,0|0,0,0]=2 1489 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [0,1,1,0,0,0|0,0,0]=2 1490 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [0,1,1,0,0,0|0,0,0]=2 1491 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [0,1,1,0,0,0|0,0,0]=2 1492 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [0,1,1,0,0,0|0,0,0]=2 1493 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [0,1,1,0,0,0|0,0,0]=2 1494 B8R0.1 CCCOC(C)CCBr 34a_100012276601_100000210303 [0,1,1,0,0,0|1,0,1]=4 1495 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [0,1,1,0,0,0|1,0,1]=4 1496 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [0,1,1,0,0,0|1,0,1]=4 1497 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [0,1,1,0,0,0|1,0,1]=4 1498 B8R0.1 CCCOC(C)CCO 34a_100000210258_100009893172 [0,1,1,0,0,0|1,0,1]=4 1499 B8R0.1 CCCOC(C)CNC 2230a_100015185124_200000210301 [0,1,1,0,0,0|1,0,1]=4 1500 B8R0.1 CCCOC(C)CNC 34a_100015185124_200000210301 [0,1,1,0,0,0|1,0,1]=4 1501 B8R0.1 CCCOC(C)CN[13CH3] 2230a_100015185124_200025704644 [0,1,1,0,0,0|1,0,1]=4 1502 B8R0.1 CCCOC(C)CN[13CH3] 34a_100015185124_200025704644 [0,1,1,0,0,0|1,0,1]=4 1503 B8R0.1 CCCOC(C)COC 34a_100000210258_100000765312 [0,1,1,0,0,0|1,0,1]=4 1504 B8R0.1 CCCO[C@H](C)COC 34a_100011934205_100000210303 [0,1,1,0,0,0|1,0,1]=4 1505 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [0,1,1,0,0,0|2,0,0]=4 1506 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [0,1,1,0,0,0|2,0,0]=4 1507 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [0,1,1,0,0,0|2,0,0]=4 1508 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [0,1,1,0,0,0|2,0,0]=4 1509 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [0,1,1,0,0,0|2,0,0]=4 1510 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [0,1,1,0,0,0|2,0,0]=4 1511 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [0,1,1,0,0,0|2,0,0]=4 1512 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [0,1,1,0,0,0|2,0,0]=4 1513 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [0,1,1,0,0,0|2,0,0]=4 1514 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [0,1,1,0,0,0|2,0,0]=4 1515 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [0,1,1,0,0,0|2,0,0]=4 1516 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [0,1,1,0,0,0|2,0,0]=4 1517 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [0,1,1,0,0,0|2,0,0]=4 1518 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [0,1,1,0,0,0|2,0,0]=4 1519 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [0,1,1,0,0,0|2,0,0]=4 1520 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [0,1,1,0,0,0|2,0,0]=4 1521 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [0,1,1,0,0,0|2,0,0]=4 1522 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [0,1,1,0,0,0|2,0,0]=4 1523 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [0,1,1,0,0,0|2,0,0]=4 1524 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [0,1,1,0,0,0|2,0,0]=4 1525 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [0,1,1,0,0,0|2,0,0]=4 1526 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [0,1,1,0,0,0|2,0,0]=4 1527 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [0,1,1,0,0,0|2,0,0]=4 1528 B8R0.1 CCNC(=O)NCCF 2708a_100015525214_100000724931 [0,1,1,0,0,0|2,0,0]=4 1529 B8R0.1 CCNC(=O)NCCF 273464a_100000724931_100015525214 [0,1,1,0,0,0|2,0,0]=4 1530 B8R0.1 CCNC(=O)NCCF 273464a_100015525214_100000724931 [0,1,1,0,0,0|2,0,0]=4 1531 B8R0.1 CCNC(=O)NCCF 512a_100015525214_100000724931 [0,1,1,0,0,0|2,0,0]=4 1532 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [0,1,1,0,0,0|2,0,0]=4 1533 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [0,1,1,0,0,0|2,0,0]=4 1534 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [0,1,1,0,0,0|2,0,0]=4 1535 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [0,1,1,0,0,0|2,0,0]=4 1536 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [0,1,1,0,0,0|2,0,0]=4 1537 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [0,1,1,0,0,0|2,0,0]=4 1538 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [0,1,1,0,0,0|2,0,0]=4 1539 B8R0.1 CCNNC(=O)CCO 22a_100000756455_100011216618 [0,1,1,0,0,0|2,0,0]=4 1540 B8R0.1 CCNNC(=O)COC 22a_100000756455_100000210968 [0,1,1,0,0,0|2,0,0]=4 1541 B8R0.1 CCNNC(=O)CSC 22a_100000756455_100000184570 [0,1,1,0,0,0|2,0,0]=4 1542 B8R0.1 CCNNC(=O)NCC 273464a_100015525214_100000756455 [0,1,1,0,0,0|2,0,0]=4 1543 B8R0.1 CCNNC(=O)NCC 512a_100000756455_100015525214 [0,1,1,0,0,0|2,0,0]=4 1544 B8R0.1 CCNNC(=O)NCC 512a_100015525214_100000756455 [0,1,1,0,0,0|2,0,0]=4 1545 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [0,1,1,0,0,0|2,0,0]=4 1546 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [0,1,1,0,0,0|2,0,0]=4 1547 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [0,1,1,0,0,0|2,0,0]=4 1548 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [0,1,1,0,0,0|2,0,0]=4 1549 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [0,1,1,0,0,0|2,0,0]=4 1550 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [0,1,1,0,0,0|2,0,0]=4 1551 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [0,1,1,0,0,0|2,0,0]=4 1552 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [0,1,1,0,0,0|2,0,0]=4 1553 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [0,1,1,0,0,0|2,0,0]=4 1554 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [0,1,1,0,0,0|2,0,0]=4 1555 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [0,1,1,0,0,0|1,0,0]=3 1556 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [0,1,1,0,0,0|1,0,0]=3 1557 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [0,1,1,0,0,0|2,0,0]=4 1558 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [0,1,1,0,0,0|2,0,0]=4 1559 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [0,1,1,0,0,0|2,0,0]=4 1560 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [0,1,1,0,0,0|2,0,0]=4 1561 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [0,1,1,0,0,0|2,0,0]=4 1562 B8R0.1 CNCC(=O)NCCF 2230a_100000725713_200000210301 [0,1,1,0,0,0|2,0,0]=4 1563 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [0,1,1,0,0,0|2,0,0]=4 1564 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [0,1,1,0,0,0|2,0,0]=4 1565 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [0,1,1,0,0,0|2,0,0]=4 1566 B8R0.1 COCC(=O)NCCF 11a_100000724931_100000210968 [0,1,1,0,0,0|2,0,0]=4 1567 B8R0.1 COCC(=O)NCCF 1626a_100000724931_100000210968 [0,1,1,0,0,0|2,0,0]=4 1568 B8R0.1 COCC(=O)NCCF 240690a_100000724931_100000210968 [0,1,1,0,0,0|2,0,0]=4 1569 B8R0.1 COCC(=O)NCCF 527a_100000724931_100000210968 [0,1,1,0,0,0|2,0,0]=4 1570 B8R0.1 COCC(=O)NCCO 240690a_100000210304_100000210968 [0,1,1,0,0,0|2,0,0]=4 1571 B8R0.1 COCC(=O)NCCO 527a_100000210304_100000210968 [0,1,1,0,0,0|2,0,0]=4 1572 B8R0.1 COCC(C)SCC=O 62a_100000765312_200015260668 [0,1,1,0,0,0|2,0,0]=4 1573 B8R0.1 COCC(C)SCC=O 62a_200015260668_100000765312 [0,1,1,0,0,0|2,0,0]=4 1574 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [0,1,1,0,0,0|2,0,0]=4 1575 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [0,1,1,0,0,0|2,0,0]=4 1576 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [0,1,1,0,0,0|2,0,0]=4 1577 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [0,1,1,0,0,0|2,0,0]=4 1578 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [0,1,1,0,0,0|2,0,0]=4 1579 B8R0.1 COC[C@@H](C)NCC=O 2230a_100000764878_200015260668 [0,1,1,0,0,0|2,0,0]=4 1580 B8R0.1 COC[C@@H](C)OCC=O 34a_100011934205_200009817547 [0,1,1,0,0,0|2,0,0]=4 1581 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [0,1,1,0,0,0|2,0,0]=4 1582 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [0,1,1,0,0,0|2,0,0]=4 1583 B8R0.1 CSCC(=O)NCCF 11a_100000724931_100000184570 [0,1,1,0,0,0|2,0,0]=4 1584 B8R0.1 CSCC(=O)NCCF 1626a_100000724931_100000184570 [0,1,1,0,0,0|2,0,0]=4 1585 B8R0.1 CSCC(=O)NCCF 240690a_100000724931_100000184570 [0,1,1,0,0,0|2,0,0]=4 1586 B8R0.1 CSCC(=O)NCCF 527a_100000724931_100000184570 [0,1,1,0,0,0|2,0,0]=4 1587 B8R0.1 CSCC(=O)NCCO 240690a_100000210304_100000184570 [0,1,1,0,0,0|2,0,0]=4 1588 B8R0.1 CSCC(=O)NCCO 527a_100000210304_100000184570 [0,1,1,0,0,0|2,0,0]=4 1589 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [0,1,1,0,0,0|2,0,0]=4 1590 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [0,1,1,0,0,0|2,0,0]=4 1591 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [0,1,1,0,0,0|2,0,0]=4 1592 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [0,1,1,0,0,0|2,0,0]=4 1593 B8R0.1 C[C@H](CCO)NCC=O 2230a_100000706166_200015260668 [0,1,1,0,0,0|2,0,0]=4 1594 B8R0.1 C[C@H](CCO)NCC=O 34a_100000706166_200009817547 [0,1,1,0,0,0|2,0,0]=4 1595 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [0,1,1,0,0,0|2,0,0]=4 1596 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [0,1,1,0,0,0|2,0,0]=4 1597 B8R0.1 O=C(CCO)NCCF 240690a_100000724931_100011216618 [0,1,1,0,0,0|2,0,0]=4 1598 B8R0.1 O=C(CCO)NCCO 240690a_100000210304_100011216618 [0,1,1,0,0,0|2,0,0]=4 1599 B8R0.1 [13CH3]NCC(=O)NCCF 2230a_100000725713_200025704644 [0,1,1,0,0,0|2,0,0]=4 1600 B8R0.3 C=CCC(=O)C(O)CC 1458a_100011196387_100000210623 [0,1,1,0,0,0|1,0,1]=4 1601 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [0,1,1,0,0,0|1,0,1]=4 1602 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [0,1,1,0,0,0|2,0,0]=4 1603 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [0,1,1,0,0,0|2,0,0]=4 1604 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [0,1,1,0,0,0|2,0,0]=4 1605 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [0,1,1,0,0,0|2,0,0]=4 1606 B8R0.3 CCC(=O)N(C)CCO 240690a_100000210263_100000210414 [0,1,1,0,0,0|2,0,0]=4 1607 B8R0.3 CCC(=O)N(C)CCO 527a_100000210263_100000210414 [0,1,1,0,0,0|2,0,0]=4 1608 B8R0.3 CCC(C)N(C)CC=O 2230a_100000741768_200015260668 [0,1,1,0,0,0|2,0,0]=4 1609 B8R0.3 CCC(C)N(C)CC=O 269982a_100000741768_200015260668 [0,1,1,0,0,0|2,0,0]=4 1610 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,1,1,0,0,0|2,0,0]=4 1611 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,1,1,0,0,0|1,0,0]=3 1612 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,1,1,0,0,0|1,0,0]=3 1613 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [0,1,1,0,0,0|2,0,0]=4 1614 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,1,1,0,0,0|2,0,0]=4 1615 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [0,1,1,0,0,0|2,0,0]=4 1616 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [0,1,1,0,0,0|2,0,0]=4 1617 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [0,1,1,0,0,0|2,0,0]=4 1618 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [0,1,1,0,0,0|2,0,0]=4 1619 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [0,1,1,0,0,0|1,0,0]=3 1620 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [0,1,1,0,0,0|1,0,0]=3 1621 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [0,1,1,0,0,0|1,0,0]=3 1622 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [0,1,1,0,0,0|1,0,0]=3 1623 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [0,1,1,0,0,0|2,0,0]=4 1624 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [0,1,1,0,0,0|2,0,0]=4 1625 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [0,1,1,0,0,0|2,0,0]=4 1626 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [0,1,1,0,0,0|2,0,0]=4 1627 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,1,1,0,0,0|1,0,0]=3 1628 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [0,1,1,0,0,0|2,0,0]=4 1629 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [0,1,1,0,0,0|2,0,0]=4 1630 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,1,1,0,0,0|2,0,0]=4 1631 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [0,1,1,0,0,0|2,0,0]=4 1632 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,1,1,0,0,0|2,0,0]=4 1633 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [0,1,1,0,0,0|2,0,0]=4 1634 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [0,1,1,0,0,0|2,0,0]=4 1635 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [0,1,1,0,0,0|2,0,0]=4 1636 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [0,1,1,0,0,0|1,0,1]=4 1637 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [0,1,1,0,0,0|1,0,1]=4 1638 B8R0.6 C#CCCNC(=O)CC 11a_100000755551_100000210414 [0,1,1,0,0,0|1,0,1]=4 1639 B8R0.6 C#CCCNC(=O)CC 1626a_100000755551_100000210414 [0,1,1,0,0,0|1,0,1]=4 1640 B8R0.6 C#CCCNC(=O)CC 240690a_100000755551_100000210414 [0,1,1,0,0,0|1,0,1]=4 1641 B8R0.6 C#CCCNC(=O)CC 527a_100000755551_100000210414 [0,1,1,0,0,0|1,0,1]=4 1642 B8R0.6 C#CCNCC(O)CC 2230a_100011218483_100000038162 [0,1,1,0,0,0|1,0,1]=4 1643 B8R0.6 C#CCNCC(O)CC 34a_100000212058_100011218378 [0,1,1,0,0,0|1,0,1]=4 1644 B8R0.6 C#CCOCC(=O)CC 1458a_100011251226_100000210202 [0,1,1,0,0,0|0,0,2]=4 1645 B8R0.6 C#CCOCC(=O)CC 34a_100000725409_100000184674 [0,1,1,0,0,0|0,0,2]=4 1646 B8R0.6 C#CCOCC(O)CC 34a_100000210247_100011218378 [0,1,1,0,0,0|1,0,1]=4 1647 B8R0.6 C#CCSCC(O)CC 62a_100000038162_100011218378 [0,1,1,0,0,0|1,0,1]=4 1648 B8R0.6 C=CC(=O)OCCNC 2230a_106832991635_100009813456 [0,1,1,0,0,0|0,0,2]=4 1649 B8R0.6 C=CC(=O)OCCNC 34a_100102657272_100009813456 [0,1,1,0,0,0|0,0,2]=4 1650 B8R0.6 C=CC(=O)OCCNC 7a_106832991635_100009813456 [0,1,1,0,0,0|0,0,2]=4 1651 B8R0.6 C=CC(=O)OCCOC 34a_100138415774_100009813456 [0,1,1,0,0,0|0,0,2]=4 1652 B8R0.6 C=CC(=O)OCCSC 62a_100009813456_200000210301 [0,1,1,0,0,0|0,0,2]=4 1653 B8R0.6 C=CC(=O)OCCSC 62a_200000210301_100009813456 [0,1,1,0,0,0|0,0,2]=4 1654 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_100009813456_200025704644 [0,1,1,0,0,0|0,0,2]=4 1655 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_200025704644_100009813456 [0,1,1,0,0,0|0,0,2]=4 1656 B8R0.6 C=CC(O)CSCC=O 62a_100000730141_200015260668 [0,1,1,0,0,0|0,0,2]=4 1657 B8R0.6 C=CC(O)CSCC=O 62a_200015260668_100000730141 [0,1,1,0,0,0|0,0,2]=4 1658 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [0,1,1,0,0,0|1,0,1]=4 1659 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [0,1,1,0,0,0|1,0,1]=4 1660 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [0,1,1,0,0,0|1,0,1]=4 1661 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [0,1,1,0,0,0|1,0,1]=4 1662 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [0,1,1,0,0,0|1,0,1]=4 1663 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [0,1,1,0,0,0|1,0,1]=4 1664 B8R0.6 C=CCCNC(C)CC 2230a_100000209981_100000754431 [0,1,1,0,0,0|2,0,0]=4 1665 B8R0.6 C=CCCNC(C)CC 2230a_100015191253_100000758301 [0,1,1,0,0,0|2,0,0]=4 1666 B8R0.6 C=CCCOC(C)CC 34a_100011205117_100011215416 [0,1,1,0,0,0|2,0,0]=4 1667 B8R0.6 C=CCCOC(C)CC 7a_100000210228_100000754431 [0,1,1,0,0,0|2,0,0]=4 1668 B8R0.6 C=CCCSC(C)CC 62a_100000754431_100000758301 [0,1,1,0,0,0|2,0,0]=4 1669 B8R0.6 C=CCCSC(C)CC 62a_100000758301_100000754431 [0,1,1,0,0,0|2,0,0]=4 1670 B8R0.6 C=CCNCC(C)CC 2230a_100020586998_100000748023 [0,1,1,0,0,0|2,0,0]=4 1671 B8R0.6 C=CCNCC(C)CC 2230a_100020588543_100000210623 [0,1,1,0,0,0|2,0,0]=4 1672 B8R0.6 C=CCNCC(C)CC 270004a_100020586998_100000243153 [0,1,1,0,0,0|2,0,0]=4 1673 B8R0.6 C=CCNCC(O)CC 2230a_100011218483_100000210623 [0,1,1,0,0,0|1,0,0]=3 1674 B8R0.6 C=CCNCC(O)CC 2230a_100020586998_100011218378 [0,1,1,0,0,0|1,0,0]=3 1675 B8R0.6 C=CCNCC(O)CO 2230a_100020586998_100011219619 [0,1,1,0,0,0|2,0,0]=4 1676 B8R0.6 C=CCNC[C@@H](C)CC 2230a_100020586998_100009816398 [0,1,1,0,0,0|2,0,0]=4 1677 B8R0.6 C=CCNC[C@@H](O)CF 2230a_100020586998_100015614560 [0,1,1,0,0,0|2,0,0]=4 1678 B8R0.6 C=CCNC[C@@H](O)CO 2230a_100020586998_100009815848 [0,1,1,0,0,0|2,0,0]=4 1679 B8R0.6 C=CCNC[C@H](O)CO 2230a_100020644852_100000210623 [0,1,1,0,0,0|2,0,0]=4 1680 B8R0.6 C=CCOCC(=O)CC 34a_100000725409_100015514636 [0,1,1,0,0,0|0,0,2]=4 1681 B8R0.6 C=CCOCC(C)CC 34a_200000210373_100000748023 [0,1,1,0,0,0|2,0,0]=4 1682 B8R0.6 C=CCOCC(O)CC 34a_200000210373_100011218378 [0,1,1,0,0,0|1,0,0]=3 1683 B8R0.6 C=CCOCC(O)CO 34a_200000210373_100011219619 [0,1,1,0,0,0|2,0,0]=4 1684 B8R0.6 C=CCOC[C@@H](C)CC 34a_200000210373_100009816398 [0,1,1,0,0,0|2,0,0]=4 1685 B8R0.6 C=CCOC[C@@H](C)CC 7a_100009816381_100015514636 [0,1,1,0,0,0|2,0,0]=4 1686 B8R0.6 C=CCOC[C@@H](O)CF 34a_200000210373_100015614560 [0,1,1,0,0,0|2,0,0]=4 1687 B8R0.6 C=CCOC[C@@H](O)CO 34a_200000210373_100009815848 [0,1,1,0,0,0|2,0,0]=4 1688 B8R0.6 C=CCSCC(C)CC 62a_100000210623_100000748023 [0,1,1,0,0,0|2,0,0]=4 1689 B8R0.6 C=CCSCC(C)CC 62a_100000748023_100000210623 [0,1,1,0,0,0|2,0,0]=4 1690 B8R0.6 C=CCSCC(O)CC 62a_100000210623_100011218378 [0,1,1,0,0,0|1,0,0]=3 1691 B8R0.6 C=CCSCC(O)CC 62a_100011218378_100000210623 [0,1,1,0,0,0|1,0,0]=3 1692 B8R0.6 C=CCSCC(O)CO 62a_100000210623_100011219619 [0,1,1,0,0,0|2,0,0]=4 1693 B8R0.6 C=CCSCC(O)CO 62a_100011219619_100000210623 [0,1,1,0,0,0|2,0,0]=4 1694 B8R0.6 C=CCSC[C@@H](C)CC 62a_100000210623_100009816398 [0,1,1,0,0,0|2,0,0]=4 1695 B8R0.6 C=CCSC[C@@H](C)CC 62a_100009816398_100000210623 [0,1,1,0,0,0|2,0,0]=4 1696 B8R0.6 C=CCSC[C@@H](O)CF 62a_100000210623_100015614560 [0,1,1,0,0,0|2,0,0]=4 1697 B8R0.6 C=CCSC[C@@H](O)CF 62a_100015614560_100000210623 [0,1,1,0,0,0|2,0,0]=4 1698 B8R0.6 C=CCSC[C@@H](O)CO 62a_100000210623_100009815848 [0,1,1,0,0,0|2,0,0]=4 1699 B8R0.6 C=CCSC[C@@H](O)CO 62a_100009815848_100000210623 [0,1,1,0,0,0|2,0,0]=4 1700 B8R0.6 CC#CCNC(=O)CC 11a_100000685387_100000210414 [0,1,1,0,0,0|1,0,1]=4 1701 B8R0.6 CC#CCNC(=O)CC 1626a_100000685387_100000210414 [0,1,1,0,0,0|1,0,1]=4 1702 B8R0.6 CC#CCNC(=O)CC 527a_100000685387_100000210414 [0,1,1,0,0,0|1,0,1]=4 1703 B8R0.6 CC(CN)COCC=O 34a_100000744482_200009817547 [0,1,1,0,0,0|2,0,0]=4 1704 B8R0.6 CC(CO)CNCC=O 34a_100000744482_200009817547 [0,1,1,0,0,0|2,0,0]=4 1705 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [0,1,1,0,0,0|1,0,1]=4 1706 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [0,1,1,0,0,0|1,0,1]=4 1707 B8R0.6 CC=NNCC(O)CC 4a_100015206393_200000210099 [0,1,1,0,0,0|2,0,0]=4 1708 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [0,1,1,0,0,0|1,0,1]=4 1709 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [0,1,1,0,0,0|1,0,1]=4 1710 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [0,1,1,0,0,0|1,0,1]=4 1711 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [0,1,1,0,0,0|1,0,1]=4 1712 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [0,1,1,0,0,0|1,0,0]=3 1713 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,1,1,0,0,0|1,0,0]=3 1714 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,1,1,0,0,0|1,0,0]=3 1715 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [0,1,1,0,0,0|1,0,0]=3 1716 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [0,1,1,0,0,0|1,0,0]=3 1717 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [0,1,1,0,0,0|1,0,0]=3 1718 B8R0.6 CCC(=O)COCC=O 34a_100000725409_200009817547 [0,1,1,0,0,0|0,0,2]=4 1719 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [0,1,1,0,0,0|1,0,0]=3 1720 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [0,1,1,0,0,0|1,0,0]=3 1721 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [0,1,1,0,0,0|1,0,0]=3 1722 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [0,1,1,0,0,0|1,0,0]=3 1723 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [0,1,1,0,0,0|0,0,2]=4 1724 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [0,1,1,0,0,0|0,0,2]=4 1725 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [0,1,1,0,0,0|1,1,0]=4 1726 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [0,1,1,0,0,0|1,1,0]=4 1727 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [0,1,1,0,0,0|1,1,0]=4 1728 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [0,1,1,0,0,0|1,1,0]=4 1729 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [0,1,1,0,0,0|1,1,0]=4 1730 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [0,1,1,0,0,0|1,1,0]=4 1731 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [0,1,1,0,0,0|1,1,0]=4 1732 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [0,1,1,0,0,0|1,1,0]=4 1733 B8R0.6 CCC(=O)NCCC#N 11a_100000720768_100000210414 [0,1,1,0,0,0|1,0,1]=4 1734 B8R0.6 CCC(=O)NCCC#N 1626a_100000720768_100000210414 [0,1,1,0,0,0|1,0,1]=4 1735 B8R0.6 CCC(=O)NCCC#N 240690a_100000720768_100000210414 [0,1,1,0,0,0|1,0,1]=4 1736 B8R0.6 CCC(=O)NCCC#N 527a_100000720768_100000210414 [0,1,1,0,0,0|1,0,1]=4 1737 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [0,1,1,0,0,0|1,0,0]=3 1738 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [0,1,1,0,0,0|1,0,0]=3 1739 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [0,1,1,0,0,0|1,0,0]=3 1740 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [0,1,1,0,0,0|1,0,0]=3 1741 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [0,1,1,0,0,0|1,0,0]=3 1742 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [0,1,1,0,0,0|1,0,0]=3 1743 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [0,1,1,0,0,0|1,0,0]=3 1744 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [0,1,1,0,0,0|1,0,0]=3 1745 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [0,1,1,0,0,0|1,0,0]=3 1746 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [0,1,1,0,0,0|1,0,0]=3 1747 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [0,1,1,0,0,0|1,0,0]=3 1748 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [0,1,1,0,0,0|1,0,0]=3 1749 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [0,1,1,0,0,0|1,0,0]=3 1750 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [0,1,1,0,0,0|1,0,0]=3 1751 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [0,1,1,0,0,0|1,0,0]=3 1752 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [0,1,1,0,0,0|1,0,0]=3 1753 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [0,1,1,0,0,0|1,0,0]=3 1754 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [0,1,1,0,0,0|1,0,0]=3 1755 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [0,1,1,0,0,0|1,0,0]=3 1756 B8R0.6 CCC(=O)NNCCO 22a_100000210001_100000210414 [0,1,1,0,0,0|2,0,0]=4 1757 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [0,1,1,0,0,0|0,0,0]=2 1758 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [0,1,1,0,0,0|0,0,0]=2 1759 B8R0.6 CCC(C)CNCC=O 2230a_100020588543_200015260668 [0,1,1,0,0,0|1,0,0]=3 1760 B8R0.6 CCC(C)CSCC=O 62a_100000748023_200015260668 [0,1,1,0,0,0|1,0,0]=3 1761 B8R0.6 CCC(C)CSCC=O 62a_200015260668_100000748023 [0,1,1,0,0,0|1,0,0]=3 1762 B8R0.6 CCC(C)OCCCBr 34a_100011217188_100011215416 [0,1,1,0,0,0|1,0,1]=4 1763 B8R0.6 CCC(C)OCCCCl 34a_100000230001_100011215416 [0,1,1,0,0,0|1,0,1]=4 1764 B8R0.6 CCC(C)OCCCF 34a_100000759539_100011215416 [0,1,1,0,0,0|1,0,1]=4 1765 B8R0.6 CCC(C)OCCCF 7a_100000210228_100011934791 [0,1,1,0,0,0|1,0,1]=4 1766 B8R0.6 CCC(C)OCCCN 34a_100000182051_100011215416 [0,1,1,0,0,0|1,0,1]=4 1767 B8R0.6 CCC(C)OCCCO 7a_100000210228_100011215043 [0,1,1,0,0,0|1,0,1]=4 1768 B8R0.6 CCC(C)OCCOC 34a_100000210237_100011215416 [0,1,1,0,0,0|1,0,1]=4 1769 B8R0.6 CCC(C)OCCOC 7a_100000210228_100000233755 [0,1,1,0,0,0|1,0,1]=4 1770 B8R0.6 CCC(C)OCCSC 34a_100000230434_100011215416 [0,1,1,0,0,0|1,0,1]=4 1771 B8R0.6 CCC(C)OCCSC 7a_100000210228_100000212216 [0,1,1,0,0,0|1,0,1]=4 1772 B8R0.6 CCC(C)OCCSC 7a_100000230434_100000758301 [0,1,1,0,0,0|1,0,1]=4 1773 B8R0.6 CCC(O)CNCC#N 2230a_100011218483_100011215382 [0,1,1,0,0,0|1,0,1]=4 1774 B8R0.6 CCC(O)CNCC=O 2230a_100011218483_200015260668 [0,1,1,0,0,0|0,0,0]=2 1775 B8R0.6 CCC(O)CNCCF 2230a_100011218483_100011217306 [0,1,1,0,0,0|1,0,1]=4 1776 B8R0.6 CCC(O)CNCCF 34a_100000724931_100011218378 [0,1,1,0,0,0|1,0,1]=4 1777 B8R0.6 CCC(O)CNCCO 2230a_100011218483_100000211926 [0,1,1,0,0,0|0,0,2]=4 1778 B8R0.6 CCC(O)CNCCO 2230a_100016997473_100011218378 [0,1,1,0,0,0|0,0,2]=4 1779 B8R0.6 CCC(O)CNCCO 34a_100016990907_100011218378 [0,1,1,0,0,0|0,0,2]=4 1780 B8R0.6 CCC(O)CNCOC 2230a_100011218483_100000766300 [0,1,1,0,0,0|2,0,0]=4 1781 B8R0.6 CCC(O)CNCSC 2230a_100011218483_100011218213 [0,1,1,0,0,0|2,0,0]=4 1782 B8R0.6 CCC(O)COCCBr 34a_100000211926_100011218378 [0,1,1,0,0,0|1,0,1]=4 1783 B8R0.6 CCC(O)COCCN 34a_100000210304_100011218378 [0,1,1,0,0,0|1,0,1]=4 1784 B8R0.6 CCC(O)CSCC#N 62a_100011215382_100011218378 [0,1,1,0,0,0|1,0,1]=4 1785 B8R0.6 CCC(O)CSCC#N 62a_100011218378_100011215382 [0,1,1,0,0,0|1,0,1]=4 1786 B8R0.6 CCC(O)CSCC=O 62a_100011218378_200015260668 [0,1,1,0,0,0|0,0,0]=2 1787 B8R0.6 CCC(O)CSCC=O 62a_200015260668_100011218378 [0,1,1,0,0,0|0,0,0]=2 1788 B8R0.6 CCC(O)CSCCF 62a_100011217306_100011218378 [0,1,1,0,0,0|1,0,1]=4 1789 B8R0.6 CCC(O)CSCCF 62a_100011218378_100011217306 [0,1,1,0,0,0|1,0,1]=4 1790 B8R0.6 CCC(O)CSCCO 62a_100000211926_100011218378 [0,1,1,0,0,0|0,0,2]=4 1791 B8R0.6 CCC(O)CSCCO 62a_100011218378_100000211926 [0,1,1,0,0,0|0,0,2]=4 1792 B8R0.6 CCC(O)CSCOC 62a_100000766300_100011218378 [0,1,1,0,0,0|2,0,0]=4 1793 B8R0.6 CCC(O)CSCOC 62a_100011218378_100000766300 [0,1,1,0,0,0|2,0,0]=4 1794 B8R0.6 CCC(O)CSCSC 62a_100011218213_100011218378 [0,1,1,0,0,0|2,0,0]=4 1795 B8R0.6 CCC(O)CSCSC 62a_100011218378_100011218213 [0,1,1,0,0,0|2,0,0]=4 1796 B8R0.6 CCC=NNC(=O)CC 4a_100000183195_100000210100 [0,1,1,0,0,0|1,0,1]=4 1797 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [0,1,1,0,0,0|1,0,0]=3 1798 B8R0.6 CCCC#CC(=O)CF 1458a_200011218047_100015361967 [0,1,1,0,0,0|2,0,0]=4 1799 B8R0.6 CCCC#CC(=O)NC 240690a_100102657272_200011218047 [0,1,1,0,0,0|2,0,0]=4 1800 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,1,1,0,0,0|1,0,0]=3 1801 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [0,1,1,0,0,0|2,0,0]=4 1802 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [0,1,1,0,0,0|2,0,0]=4 1803 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [0,1,1,0,0,0|2,0,0]=4 1804 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [0,1,1,0,0,0|2,0,0]=4 1805 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,1,1,0,0,0|1,0,0]=3 1806 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,1,1,0,0,0|1,0,0]=3 1807 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [0,1,1,0,0,0|2,0,0]=4 1808 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,1,1,0,0,0|2,0,0]=4 1809 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [0,1,1,0,0,0|2,0,0]=4 1810 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [0,1,1,0,0,0|2,0,0]=4 1811 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [0,1,1,0,0,0|2,0,0]=4 1812 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [0,1,1,0,0,0|2,0,0]=4 1813 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [0,1,1,0,0,0|1,0,0]=3 1814 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [0,1,1,0,0,0|1,0,0]=3 1815 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [0,1,1,0,0,0|1,0,0]=3 1816 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [0,1,1,0,0,0|1,0,0]=3 1817 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,1,1,0,0,0|2,0,0]=4 1818 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,1,1,0,0,0|2,0,0]=4 1819 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [0,1,1,0,0,0|2,0,0]=4 1820 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [0,1,1,0,0,0|2,0,0]=4 1821 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [0,1,1,0,0,0|2,0,0]=4 1822 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [0,1,1,0,0,0|2,0,0]=4 1823 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [0,1,1,0,0,0|2,0,0]=4 1824 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [0,1,1,0,0,0|2,0,0]=4 1825 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [0,1,1,0,0,0|1,0,1]=4 1826 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [0,1,1,0,0,0|1,0,1]=4 1827 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [0,1,1,0,0,0|1,0,1]=4 1828 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [0,1,1,0,0,0|2,0,0]=4 1829 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [0,1,1,0,0,0|1,0,1]=4 1830 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [0,1,1,0,0,0|1,0,0]=3 1831 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [0,1,1,0,0,0|2,0,0]=4 1832 B8R0.6 CCCNNC(=O)NC 273464a_100102657272_100000740057 [0,1,1,0,0,0|2,0,0]=4 1833 B8R0.6 CCCNNC(=O)NC 512a_100000740057_100102657272 [0,1,1,0,0,0|2,0,0]=4 1834 B8R0.6 CCCNNC(=O)NC 512a_106832991638_100000740057 [0,1,1,0,0,0|2,0,0]=4 1835 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,1,1,0,0,0|0,0,0]=2 1836 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,1,1,0,0,0|0,0,0]=2 1837 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [0,1,1,0,0,0|1,0,0]=3 1838 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [0,1,1,0,0,0|1,0,0]=3 1839 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [0,1,1,0,0,0|1,0,0]=3 1840 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [0,1,1,0,0,0|1,0,0]=3 1841 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [0,1,1,0,0,0|1,0,0]=3 1842 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [0,1,1,0,0,0|1,0,0]=3 1843 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [0,1,1,0,0,0|1,0,0]=3 1844 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [0,1,1,0,0,0|1,0,0]=3 1845 B8R0.6 CCCOCC(C)CC 34a_100000210258_100000748023 [0,1,1,0,0,0|1,0,1]=4 1846 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [0,1,1,0,0,0|0,0,2]=4 1847 B8R0.6 CCCOC[C@@H](C)CC 34a_100000210258_100009816398 [0,1,1,0,0,0|1,0,1]=4 1848 B8R0.6 CCCOC[C@@H](C)CC 7a_100009816381_100000210303 [0,1,1,0,0,0|1,0,1]=4 1849 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,1,1,0,0,0|0,1,0]=3 1850 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,1,1,0,0,0|0,1,0]=3 1851 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,1,1,0,0,0|0,1,0]=3 1852 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [0,1,1,0,0,0|1,1,0]=4 1853 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [0,1,1,0,0,0|1,1,0]=4 1854 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [0,1,1,0,0,0|1,1,0]=4 1855 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [0,1,1,0,0,0|1,1,0]=4 1856 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [0,1,1,0,0,0|1,1,0]=4 1857 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [0,1,1,0,0,0|1,1,0]=4 1858 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [0,1,1,0,0,0|1,1,0]=4 1859 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,1,1,0,0,0|1,1,0]=4 1860 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,1,1,0,0,0|1,1,0]=4 1861 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [0,1,1,0,0,0|1,0,1]=4 1862 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [0,1,1,0,0,0|1,0,1]=4 1863 B8R0.6 CCN(C)CCCC=O 2230a_100000225621_200011292268 [0,1,1,0,0,0|2,0,0]=4 1864 B8R0.6 CCN(C)CCCC=O 269982a_100000225621_200011292268 [0,1,1,0,0,0|2,0,0]=4 1865 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [0,1,1,0,0,0|2,0,0]=4 1866 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [0,1,1,0,0,0|2,0,0]=4 1867 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [0,1,1,0,0,0|2,0,0]=4 1868 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [0,1,1,0,0,0|2,0,0]=4 1869 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [0,1,1,0,0,0|1,0,1]=4 1870 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [0,1,1,0,0,0|1,0,0]=3 1871 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [0,1,1,0,0,0|1,0,0]=3 1872 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [0,1,1,0,0,0|2,0,0]=4 1873 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [0,1,1,0,0,0|2,0,0]=4 1874 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [0,1,1,0,0,0|2,0,0]=4 1875 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [0,1,1,0,0,0|2,0,0]=4 1876 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [0,1,1,0,0,0|2,0,0]=4 1877 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [0,1,1,0,0,0|2,0,0]=4 1878 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [0,1,1,0,0,0|2,0,0]=4 1879 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [0,1,1,0,0,0|2,0,0]=4 1880 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [0,1,1,0,0,0|2,0,0]=4 1881 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [0,1,1,0,0,0|1,0,0]=3 1882 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [0,1,1,0,0,0|1,0,0]=3 1883 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [0,1,1,0,0,0|2,0,0]=4 1884 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [0,1,1,0,0,0|2,0,0]=4 1885 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [0,1,1,0,0,0|2,0,0]=4 1886 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [0,1,1,0,0,0|2,0,0]=4 1887 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [0,1,1,0,0,0|2,0,0]=4 1888 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [0,1,1,0,0,0|2,0,0]=4 1889 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [0,1,1,0,0,0|2,0,0]=4 1890 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [0,1,1,0,0,0|2,0,0]=4 1891 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [0,1,1,0,0,0|2,0,0]=4 1892 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [0,1,1,0,0,0|2,0,0]=4 1893 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [0,1,1,0,0,0|1,0,0]=3 1894 B8R0.6 CC[C@H](C)COCC=O 7a_100009816381_200015260668 [0,1,1,0,0,0|1,0,0]=3 1895 B8R0.6 CC[C@H](C)CSCC=O 62a_100009816398_200015260668 [0,1,1,0,0,0|1,0,0]=3 1896 B8R0.6 CC[C@H](C)CSCC=O 62a_200015260668_100009816398 [0,1,1,0,0,0|1,0,0]=3 1897 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [0,1,1,0,0,0|2,0,0]=4 1898 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [0,1,1,0,0,0|2,0,0]=4 1899 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [0,1,1,0,0,0|2,0,0]=4 1900 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [0,1,1,0,0,0|2,0,0]=4 1901 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [0,1,1,0,0,0|2,0,0]=4 1902 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [0,1,1,0,0,0|2,0,0]=4 1903 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [0,1,1,0,0,0|2,0,0]=4 1904 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [0,1,1,0,0,0|2,0,0]=4 1905 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [0,1,1,0,0,0|2,0,0]=4 1906 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [0,1,1,0,0,0|2,0,0]=4 1907 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [0,1,1,0,0,0|2,0,0]=4 1908 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [0,1,1,0,0,0|2,0,0]=4 1909 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [0,1,1,0,0,0|2,0,0]=4 1910 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [0,1,1,0,0,0|2,0,0]=4 1911 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [0,1,1,0,0,0|2,0,0]=4 1912 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [0,1,1,0,0,0|2,0,0]=4 1913 B8R0.6 CNC(=O)COCCBr 34a_100000211926_100000183359 [0,1,1,0,0,0|2,0,0]=4 1914 B8R0.6 CNC(=O)COCCF 34a_100000750040_100011217306 [0,1,1,0,0,0|2,0,0]=4 1915 B8R0.6 CNC(=O)COCCN 34a_100000210304_100000183359 [0,1,1,0,0,0|2,0,0]=4 1916 B8R0.6 CNC(=O)COCCO 1626a_100102657272_100000708028 [0,1,1,0,0,0|2,0,0]=4 1917 B8R0.6 CNC(=O)COCCO 240690a_100102657272_100000708028 [0,1,1,0,0,0|2,0,0]=4 1918 B8R0.6 CNC(=O)COCCO 34a_100000750040_100000211926 [0,1,1,0,0,0|2,0,0]=4 1919 B8R0.6 CNC(=O)COCSC 34a_100000750040_100011218213 [0,1,1,0,0,0|2,0,0]=4 1920 B8R0.6 CNC(=O)NCCCF 2708a_100015189416_106832991635 [0,1,1,0,0,0|2,0,0]=4 1921 B8R0.6 CNC(=O)NCCCF 2708a_100102657272_100015189416 [0,1,1,0,0,0|2,0,0]=4 1922 B8R0.6 CNC(=O)NCCCF 273464a_100015189416_100102657272 [0,1,1,0,0,0|2,0,0]=4 1923 B8R0.6 CNC(=O)NCCCF 273464a_100102657272_100015189416 [0,1,1,0,0,0|2,0,0]=4 1924 B8R0.6 CNC(=O)NCCCF 512a_100015189416_100102657272 [0,1,1,0,0,0|2,0,0]=4 1925 B8R0.6 CNC(=O)NCCCF 512a_106832991638_100015189416 [0,1,1,0,0,0|2,0,0]=4 1926 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [0,1,1,0,0,0|2,0,0]=4 1927 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [0,1,1,0,0,0|2,0,0]=4 1928 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [0,1,1,0,0,0|2,0,0]=4 1929 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [0,1,1,0,0,0|2,0,0]=4 1930 B8R0.6 CNC(=O)NCCN[13CH3] 34a_100015205895_200025704644 [0,1,1,0,0,0|2,0,0]=4 1931 B8R0.6 CNC(=O)NCCOC 2708a_100102657272_100000209980 [0,1,1,0,0,0|2,0,0]=4 1932 B8R0.6 CNC(=O)NCCOC 273464a_100000209980_100102657272 [0,1,1,0,0,0|2,0,0]=4 1933 B8R0.6 CNC(=O)NCCOC 273464a_100102657272_100000209980 [0,1,1,0,0,0|2,0,0]=4 1934 B8R0.6 CNC(=O)NCCSC 2708a_100020590264_106832991635 [0,1,1,0,0,0|2,0,0]=4 1935 B8R0.6 CNC(=O)NCCSC 2708a_100102657272_100020590264 [0,1,1,0,0,0|2,0,0]=4 1936 B8R0.6 CNC(=O)NCCSC 273464a_100020590264_100102657272 [0,1,1,0,0,0|2,0,0]=4 1937 B8R0.6 CNC(=O)NCCSC 273464a_100102657272_100020590264 [0,1,1,0,0,0|2,0,0]=4 1938 B8R0.6 CNC(=O)NCCSC 512a_100020590264_100102657272 [0,1,1,0,0,0|2,0,0]=4 1939 B8R0.6 CNC(=O)NCCSC 512a_106832991638_100020590264 [0,1,1,0,0,0|2,0,0]=4 1940 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [0,1,1,0,0,0|1,0,0]=3 1941 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [0,1,1,0,0,0|1,0,0]=3 1942 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [0,1,1,0,0,0|1,0,0]=3 1943 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [0,1,1,0,0,0|1,0,0]=3 1944 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [0,1,1,0,0,0|1,0,0]=3 1945 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [0,1,1,0,0,0|2,0,0]=4 1946 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [0,1,1,0,0,0|2,0,0]=4 1947 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [0,1,1,0,0,0|2,0,0]=4 1948 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [0,1,1,0,0,0|2,0,0]=4 1949 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [0,1,1,0,0,0|2,0,0]=4 1950 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [0,1,1,0,0,0|2,0,0]=4 1951 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [0,1,1,0,0,0|2,0,0]=4 1952 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [0,1,1,0,0,0|2,0,0]=4 1953 B8R0.6 CNCCNC(=O)NC 34a_100015205895_200000210301 [0,1,1,0,0,0|2,0,0]=4 1954 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [0,1,1,0,0,0|1,0,0]=3 1955 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [0,1,1,0,0,0|1,0,0]=3 1956 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [0,1,1,0,0,0|2,0,0]=4 1957 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [0,1,1,0,0,0|2,0,0]=4 1958 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [0,1,1,0,0,0|2,0,0]=4 1959 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [0,1,1,0,0,0|2,0,0]=4 1960 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [0,1,1,0,0,0|2,0,0]=4 1961 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [0,1,1,0,0,0|2,0,0]=4 1962 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [0,1,1,0,0,0|2,0,0]=4 1963 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [0,1,1,0,0,0|1,0,0]=3 1964 B8R0.6 COC(=O)OCSCF 62a_100015361967_100000139417 [0,1,1,0,0,0|2,0,0]=4 1965 B8R0.6 COC(C)COCC=O 34a_100000690652_200009817547 [0,1,1,0,0,0|2,0,0]=4 1966 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [0,1,1,0,0,0|2,0,0]=4 1967 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [0,1,1,0,0,0|2,0,0]=4 1968 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [0,1,1,0,0,0|2,0,0]=4 1969 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [0,1,1,0,0,0|2,0,0]=4 1970 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [0,1,1,0,0,0|2,0,0]=4 1971 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [0,1,1,0,0,0|2,0,0]=4 1972 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [0,1,1,0,0,0|1,0,0]=3 1973 B8R0.6 CO[C@H](C)CNCC=O 2230a_100020591295_200015260668 [0,1,1,0,0,0|2,0,0]=4 1974 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [0,1,1,0,0,0|2,0,0]=4 1975 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [0,1,1,0,0,0|2,0,0]=4 1976 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [0,1,1,0,0,0|2,0,0]=4 1977 B8R0.6 C[C@@H](CO)CSCC=O 62a_100000059175_200015260668 [0,1,1,0,0,0|2,0,0]=4 1978 B8R0.6 C[C@@H](CO)CSCC=O 62a_200015260668_100000059175 [0,1,1,0,0,0|2,0,0]=4 1979 B8R0.6 NC[C@@H](F)COCC=O 34a_100015665980_200009817547 [0,1,1,0,0,0|2,0,0]=4 1980 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [0,1,1,0,0,0|2,0,0]=4 1981 B8R0.6 O=C(CF)COCCO 1458a_100000708028_100015361967 [0,1,1,0,0,0|2,0,0]=4 1982 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [0,1,1,0,0,0|2,0,0]=4 1983 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,1,1,0,0,0|2,0,0]=4 1984 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [0,1,1,0,0,0|2,0,0]=4 1985 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [0,1,1,0,0,0|2,0,0]=4 1986 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [0,1,1,0,0,0|2,0,0]=4 1987 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [0,1,1,0,0,0|2,0,0]=4 1988 B8R0.6 O=CCNC[C@@H](F)CO 34a_100015665980_200009817547 [0,1,1,0,0,0|2,0,0]=4 1989 B8R0.6 O=CCNC[C@H](O)CO 2230a_100020644852_200015260668 [0,1,1,0,0,0|1,0,0]=3 1990 B8R0.6 O=CCOCC(Cl)CCl 34a_100000033668_200009817547 [0,1,1,0,0,0|2,0,0]=4 1991 B8R0.6 O=CCSCC(O)CO 62a_100011219619_200015260668 [0,1,1,0,0,0|1,0,0]=3 1992 B8R0.6 O=CCSCC(O)CO 62a_200015260668_100011219619 [0,1,1,0,0,0|1,0,0]=3 1993 B8R0.6 O=CCSC[C@@H](O)CF 62a_100015614560_200015260668 [0,1,1,0,0,0|1,0,0]=3 1994 B8R0.6 O=CCSC[C@@H](O)CF 62a_200015260668_100015614560 [0,1,1,0,0,0|1,0,0]=3 1995 B8R0.6 O=CCSC[C@@H](O)CO 62a_100009815848_200015260668 [0,1,1,0,0,0|1,0,0]=3 1996 B8R0.6 O=CCSC[C@@H](O)CO 62a_200015260668_100009815848 [0,1,1,0,0,0|1,0,0]=3 1997 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [0,1,1,0,0,0|1,0,1]=4 1998 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [0,1,1,0,0,0|1,0,1]=4 1999 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [0,1,1,0,0,0|1,0,1]=4 2000 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [0,1,1,0,0,0|2,0,0]=4 2001 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [0,1,1,0,0,0|2,0,0]=4 2002 B8R0.8 CC(C)C(=O)NCCF 11a_100000724931_100000210198 [0,1,1,0,0,0|2,0,0]=4 2003 B8R0.8 CC(C)C(=O)NCCF 1626a_100000724931_100000210198 [0,1,1,0,0,0|2,0,0]=4 2004 B8R0.8 CC(C)C(=O)NCCF 240690a_100000724931_100000210198 [0,1,1,0,0,0|2,0,0]=4 2005 B8R0.8 CC(C)C(=O)NCCF 527a_100000724931_100000210198 [0,1,1,0,0,0|2,0,0]=4 2006 B8R0.8 CC(C)C(=O)NCCO 240690a_100000210304_100000210198 [0,1,1,0,0,0|2,0,0]=4 2007 B8R0.8 CC(C)C(=O)NCCO 527a_100000210304_100000210198 [0,1,1,0,0,0|2,0,0]=4 2008 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_100000139345_200025704644 [0,1,1,0,0,0|1,0,0]=3 2009 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_200025704644_100000139345 [0,1,1,0,0,0|1,0,0]=3 2010 B8R0.8 CC(C)C(C)NCC=O 2230a_100000211541_200015260668 [0,1,1,0,0,0|2,0,0]=4 2011 B8R0.8 CC(C)C(C)OCC=O 7a_100000748068_200015260668 [0,1,1,0,0,0|2,0,0]=4 2012 B8R0.8 CC(F)C(=O)CCCF 1458a_100000062450_100011934791 [0,1,1,0,0,0|2,0,0]=4 2013 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [0,1,1,0,0,0|2,0,0]=4 2014 B8R0.8 CC(F)C(=O)NCCF 11a_100000724931_100000062450 [0,1,1,0,0,0|2,0,0]=4 2015 B8R0.8 CC(F)C(=O)NCCF 1626a_100000724931_100000062450 [0,1,1,0,0,0|2,0,0]=4 2016 B8R0.8 CC(F)C(=O)NCCF 240690a_100000724931_100000062450 [0,1,1,0,0,0|2,0,0]=4 2017 B8R0.8 CC(F)C(=O)NCCF 527a_100000724931_100000062450 [0,1,1,0,0,0|2,0,0]=4 2018 B8R0.8 CC(F)C(=O)NCCO 240690a_100000210304_100000062450 [0,1,1,0,0,0|2,0,0]=4 2019 B8R0.8 CC(F)C(=O)NCCO 527a_100000210304_100000062450 [0,1,1,0,0,0|2,0,0]=4 2020 B8R0.8 CCC#CC(=O)C(C)C 1458a_100011827653_100000210206 [0,1,1,0,0,0|1,0,1]=4 2021 B8R0.8 CCC=CC(=O)C(C)C 1458a_100000212282_100000210206 [0,1,1,0,0,0|1,0,1]=4 2022 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [0,1,1,0,0,0|1,0,0]=3 2023 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [0,1,1,0,0,0|1,0,0]=3 2024 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [0,1,1,0,0,0|1,0,0]=3 2025 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [0,1,1,0,0,0|2,0,0]=4 2026 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [0,1,1,0,0,0|2,0,0]=4 2027 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [0,1,1,0,0,0|2,0,0]=4 2028 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [0,1,1,0,0,0|2,0,0]=4 2029 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [0,1,1,0,0,0|2,0,0]=4 2030 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [0,1,1,0,0,0|1,0,0]=3 2031 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [0,1,1,0,0,0|1,0,0]=3 2032 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,1,1,0,0,0|1,0,1]=4 2033 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,1,1,0,0,0|1,0,1]=4 2034 B8R0.8 CCCNC(=O)C(C)C 11a_100020643023_100000210198 [0,1,1,0,0,0|1,0,0]=3 2035 B8R0.8 CCCNC(=O)C(C)C 1626a_100020643023_100000210198 [0,1,1,0,0,0|1,0,0]=3 2036 B8R0.8 CCCNC(=O)C(C)C 240690a_100020643023_100000210198 [0,1,1,0,0,0|1,0,0]=3 2037 B8R0.8 CCCNC(=O)C(C)C 527a_100020643023_100000210198 [0,1,1,0,0,0|1,0,0]=3 2038 B8R0.8 CCCNC(=O)C(C)F 11a_100020643023_100000062450 [0,1,1,0,0,0|1,0,0]=3 2039 B8R0.8 CCCNC(=O)C(C)F 1626a_100020643023_100000062450 [0,1,1,0,0,0|1,0,0]=3 2040 B8R0.8 CCCNC(=O)C(C)F 240690a_100020643023_100000062450 [0,1,1,0,0,0|1,0,0]=3 2041 B8R0.8 CCCNC(=O)C(C)F 527a_100020643023_100000062450 [0,1,1,0,0,0|1,0,0]=3 2042 B8R0.8 CCCNC(=O)C(F)F 11a_100020643023_100000210393 [0,1,1,0,0,0|2,0,0]=4 2043 B8R0.8 CCCNC(=O)C(F)F 1626a_100020643023_100000210393 [0,1,1,0,0,0|2,0,0]=4 2044 B8R0.8 CCCNC(=O)C(F)F 240690a_100020643023_100000210393 [0,1,1,0,0,0|2,0,0]=4 2045 B8R0.8 CCCNC(=O)C(F)F 527a_100020643023_100000210393 [0,1,1,0,0,0|2,0,0]=4 2046 B8R0.8 CCCNC(=O)C(O)O 240690a_100020643023_100000233687 [0,1,1,0,0,0|2,0,0]=4 2047 B8R0.8 CCCNC(=O)N(C)C 2708a_100020643023_100102631434 [0,1,1,0,0,0|2,0,0]=4 2048 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [0,1,1,0,0,0|1,0,0]=3 2049 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [0,1,1,0,0,0|1,0,0]=3 2050 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [0,1,1,0,0,0|1,0,0]=3 2051 B8R0.8 CCCOC(C)C(C)C 7a_100000748068_100000210303 [0,1,1,0,0,0|1,0,1]=4 2052 B8R0.8 CCNCC(=O)C(C)C 2230a_100015525214_100000753385 [0,1,1,0,0,0|2,0,0]=4 2053 B8R0.8 CCNNC(=O)C(C)C 22a_100000756455_100000210198 [0,1,1,0,0,0|2,0,0]=4 2054 B8R0.8 CCNNC(=O)C(C)F 22a_100000756455_100000062450 [0,1,1,0,0,0|2,0,0]=4 2055 B8R0.8 CCNNC(=O)[C@@H](C)O 22a_100000756455_100000717761 [0,1,1,0,0,0|2,0,0]=4 2056 B8R0.8 CCNNC(=O)[C@H](C)O 22a_100000756455_217856618621 [0,1,1,0,0,0|2,0,0]=4 2057 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [0,1,1,0,0,0|2,0,0]=4 2058 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [0,1,1,0,0,0|2,0,0]=4 2059 B8R0.8 CCSCC(=O)C(C)C 1458a_100000230394_100000210206 [0,1,1,0,0,0|2,0,0]=4 2060 B8R0.8 CCSCC(=O)C(C)C 62a_100000210202_100000753385 [0,1,1,0,0,0|2,0,0]=4 2061 B8R0.8 CCSCC(=O)C(C)C 62a_100000753385_100000210202 [0,1,1,0,0,0|2,0,0]=4 2062 B8R0.8 COCCC(=O)C(C)C 1458a_100000210198_100000233755 [0,1,1,0,0,0|2,0,0]=4 2063 B8R0.8 COCCC(=O)C(C)C 1458a_100000749529_100000210206 [0,1,1,0,0,0|2,0,0]=4 2064 B8R0.8 COCCC(=O)C(C)F 1458a_100000062450_100000233755 [0,1,1,0,0,0|2,0,0]=4 2065 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [0,1,1,0,0,0|2,0,0]=4 2066 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [0,1,1,0,0,0|2,0,0]=4 2067 B8R0.8 CSCCC(=O)C(C)C 1458a_100000174002_100000210206 [0,1,1,0,0,0|2,0,0]=4 2068 B8R0.8 CSCCC(=O)C(C)C 1458a_100000210198_100000751147 [0,1,1,0,0,0|2,0,0]=4 2069 B8R0.8 CSCCC(=O)C(C)F 1458a_100000062450_100000751147 [0,1,1,0,0,0|2,0,0]=4 2070 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [0,1,1,0,0,0|2,0,0]=4 2071 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [0,1,1,0,0,0|2,0,0]=4 2072 B8R0.8 CSCOC(=O)C(C)C 62a_100000139345_200000210301 [0,1,1,0,0,0|1,0,0]=3 2073 B8R0.8 CSCOC(=O)C(C)C 62a_200000210301_100000139345 [0,1,1,0,0,0|1,0,0]=3 2074 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [0,1,1,0,0,0|2,0,0]=4 2075 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [0,1,1,0,0,0|2,0,0]=4 2076 B8R0.8 C[C@@H](O)C(=O)NCCF 240690a_100000724931_100000717761 [0,1,1,0,0,0|2,0,0]=4 2077 B8R0.8 C[C@@H](O)C(=O)NCCO 240690a_100000210304_100000717761 [0,1,1,0,0,0|2,0,0]=4 2078 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [0,1,1,0,0,0|2,0,0]=4 2079 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [0,1,1,0,0,0|2,0,0]=4 2080 B8R0.8 C[C@H](O)C(=O)NCCF 1626a_100000724931_217856618621 [0,1,1,0,0,0|2,0,0]=4 2081 B8R0.8 C[C@H](O)C(=O)NCCF 240690a_100000724931_217856618621 [0,1,1,0,0,0|2,0,0]=4 2082 B8R0.8 C[C@H](O)C(=O)NCCO 240690a_100000210304_217856618621 [0,1,1,0,0,0|2,0,0]=4 2083 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [0,1,1,0,0,0|1,0,1]=4 2084 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [0,1,1,0,0,0|1,0,1]=4 2085 B8R0.9 C=C(C)CNC(=O)CC 11a_100000765925_100000210414 [0,1,1,0,0,0|1,0,1]=4 2086 B8R0.9 C=C(C)CNC(=O)CC 1626a_100000765925_100000210414 [0,1,1,0,0,0|1,0,1]=4 2087 B8R0.9 C=C(C)CNC(=O)CC 240690a_100000765925_100000210414 [0,1,1,0,0,0|1,0,1]=4 2088 B8R0.9 C=C(C)CNC(=O)CC 527a_100000765925_100000210414 [0,1,1,0,0,0|1,0,1]=4 2089 B8R0.9 CC(=O)NC[C@H](O)CO 240690a_100020644852_100015343762 [0,1,1,0,0,0|2,0,0]=4 2090 B8R0.9 CC(=O)NC[C@H](O)CO 527a_100020644852_100103153847 [0,1,1,0,0,0|2,0,0]=4 2091 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [0,1,1,0,0,0|2,0,0]=4 2092 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [0,1,1,0,0,0|2,0,0]=4 2093 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [0,1,1,0,0,0|2,0,0]=4 2094 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [0,1,1,0,0,0|2,0,0]=4 2095 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [0,1,1,0,0,0|2,0,0]=4 2096 B8R0.9 CC(O)CNC(=O)CO 240690a_100000210904_100000210174 [0,1,1,0,0,0|2,0,0]=4 2097 B8R0.9 CC(O)CNC(=O)CO 527a_100000210904_100000210174 [0,1,1,0,0,0|2,0,0]=4 2098 B8R0.9 CCC(=O)C=CC(C)C 1458a_100016268746_100000210202 [0,1,1,0,0,0|1,0,1]=4 2099 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [0,1,1,0,0,0|0,0,2]=4 2100 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [0,1,1,0,0,0|1,0,0]=3 2101 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [0,1,1,0,0,0|1,0,0]=3 2102 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [0,1,1,0,0,0|1,0,0]=3 2103 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [0,1,1,0,0,0|2,0,0]=4 2104 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [0,1,1,0,0,0|2,0,0]=4 2105 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [0,1,1,0,0,0|2,0,0]=4 2106 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [0,1,1,0,0,0|2,0,0]=4 2107 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [0,1,1,0,0,0|2,0,0]=4 2108 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [0,1,1,0,0,0|2,0,0]=4 2109 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [0,1,1,0,0,0|1,0,1]=4 2110 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [0,1,1,0,0,0|1,0,1]=4 2111 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [0,1,1,0,0,0|1,0,0]=3 2112 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [0,1,1,0,0,0|1,0,0]=3 2113 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [0,1,1,0,0,0|1,0,0]=3 2114 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [0,1,1,0,0,0|1,0,0]=3 2115 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [0,1,1,0,0,0|1,0,0]=3 2116 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [0,1,1,0,0,0|1,0,0]=3 2117 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [0,1,1,0,0,0|1,0,0]=3 2118 B8R0.9 CCC(=O)NCC(F)F 11a_100000765723_100000210414 [0,1,1,0,0,0|2,0,0]=4 2119 B8R0.9 CCC(=O)NCC(F)F 1626a_100000765723_100000210414 [0,1,1,0,0,0|2,0,0]=4 2120 B8R0.9 CCC(=O)NCC(F)F 240690a_100000765723_100000210414 [0,1,1,0,0,0|2,0,0]=4 2121 B8R0.9 CCC(=O)NCC(F)F 527a_100000765723_100000210414 [0,1,1,0,0,0|2,0,0]=4 2122 B8R0.9 CCC(=O)NNC(C)C 22a_100000741168_100000210414 [0,1,1,0,0,0|2,0,0]=4 2123 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,1,1,0,0,0|1,0,0]=3 2124 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,1,1,0,0,0|1,0,0]=3 2125 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [0,1,1,0,0,0|2,0,0]=4 2126 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [0,1,1,0,0,0|2,0,0]=4 2127 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [0,1,1,0,0,0|2,0,0]=4 2128 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [0,1,1,0,0,0|2,0,0]=4 2129 B8R0.9 CCC(C)NCC(=O)N 2230a_100000209981_100000747473 [0,1,1,0,0,0|2,0,0]=4 2130 B8R0.9 CCC(C)NCC(=O)N 2230a_100000711301_100000758301 [0,1,1,0,0,0|2,0,0]=4 2131 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,1,1,0,0,0|2,0,0]=4 2132 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [0,1,1,0,0,0|2,0,0]=4 2133 B8R0.9 CCC(C)OCC(=O)N 7a_100000210228_100000187820 [0,1,1,0,0,0|2,0,0]=4 2134 B8R0.9 CCC(C)OCC(C)Br 34a_100012180447_100011215416 [0,1,1,0,0,0|1,0,1]=4 2135 B8R0.9 CCC(C)OCC(C)C 34a_100000210257_100011215416 [0,1,1,0,0,0|1,0,1]=4 2136 B8R0.9 CCC(C)OCC(C)C 7a_100000210228_100000210760 [0,1,1,0,0,0|1,0,1]=4 2137 B8R0.9 CCC(C)OCC(C)F 34a_100015925927_100011215416 [0,1,1,0,0,0|1,0,1]=4 2138 B8R0.9 CCC(C)OCC(C)O 7a_100000210228_100011218427 [0,1,1,0,0,0|1,0,1]=4 2139 B8R0.9 CCC(C)OC[C@@H](C)Cl 34a_100016084084_100011215416 [0,1,1,0,0,0|1,0,1]=4 2140 B8R0.9 CCC(C)OC[C@@H](C)N 34a_100000737577_100011215416 [0,1,1,0,0,0|1,0,1]=4 2141 B8R0.9 CCC(C)OC[C@@H](C)O 7a_100000210228_100009817552 [0,1,1,0,0,0|1,0,1]=4 2142 B8R0.9 CCC(C)SCC(=O)N 62a_100000747473_100000758301 [0,1,1,0,0,0|2,0,0]=4 2143 B8R0.9 CCC(C)SCC(=O)N 62a_100000758301_100000747473 [0,1,1,0,0,0|2,0,0]=4 2144 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100000758301_100020667443 [0,1,1,0,0,0|2,0,0]=4 2145 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100020667443_100000758301 [0,1,1,0,0,0|2,0,0]=4 2146 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [0,1,1,0,0,0|1,0,0]=3 2147 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [0,1,1,0,0,0|1,0,0]=3 2148 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [0,1,1,0,0,0|1,0,0]=3 2149 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [0,1,1,0,0,0|2,0,0]=4 2150 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [0,1,1,0,0,0|2,0,0]=4 2151 B8R0.9 CCN(C)CCC(=O)N 2230a_100000225621_100000744528 [0,1,1,0,0,0|2,0,0]=4 2152 B8R0.9 CCN(C)CCC(=O)N 2230a_100000730477_100000210202 [0,1,1,0,0,0|2,0,0]=4 2153 B8R0.9 CCN(C)CCC(=O)N 2230a_100020645749_200000210301 [0,1,1,0,0,0|2,0,0]=4 2154 B8R0.9 CCN(C)CCC(=O)N 269982a_100000225621_100000744528 [0,1,1,0,0,0|2,0,0]=4 2155 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [0,1,1,0,0,0|2,0,0]=4 2156 B8R0.9 CCN([13CH3])CCC(=O)N 2230a_100020645749_200025704644 [0,1,1,0,0,0|2,0,0]=4 2157 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [0,1,1,0,0,0|1,0,1]=4 2158 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [0,1,1,0,0,0|1,0,1]=4 2159 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [0,1,1,0,0,0|2,0,0]=4 2160 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [0,1,1,0,0,0|2,0,0]=4 2161 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [0,1,1,0,0,0|2,0,0]=4 2162 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [0,1,1,0,0,0|2,0,0]=4 2163 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [0,1,1,0,0,0|2,0,0]=4 2164 B8R0.9 CNC(=O)NCC(C)C 2708a_100000210953_106832991635 [0,1,1,0,0,0|2,0,0]=4 2165 B8R0.9 CNC(=O)NCC(C)C 2708a_100102657272_100000210953 [0,1,1,0,0,0|2,0,0]=4 2166 B8R0.9 CNC(=O)NCC(C)C 273464a_100000210953_100102657272 [0,1,1,0,0,0|2,0,0]=4 2167 B8R0.9 CNC(=O)NCC(C)C 273464a_100102657272_100000210953 [0,1,1,0,0,0|2,0,0]=4 2168 B8R0.9 CNC(=O)NCC(C)C 512a_100000210953_100102657272 [0,1,1,0,0,0|2,0,0]=4 2169 B8R0.9 CNC(=O)NCC(C)C 512a_106832991638_100000210953 [0,1,1,0,0,0|2,0,0]=4 2170 B8R0.9 CNC(=O)NCC(C)O 2708a_100102657272_100000210904 [0,1,1,0,0,0|2,0,0]=4 2171 B8R0.9 CNC(=O)NCC(C)O 273464a_100000210904_100102657272 [0,1,1,0,0,0|2,0,0]=4 2172 B8R0.9 CNC(=O)NCC(C)O 273464a_100102657272_100000210904 [0,1,1,0,0,0|2,0,0]=4 2173 B8R0.9 CNC(=O)NCC(C)O 512a_100000210904_100102657272 [0,1,1,0,0,0|2,0,0]=4 2174 B8R0.9 CNC(=O)NCC(C)O 512a_106832991638_100000210904 [0,1,1,0,0,0|2,0,0]=4 2175 B8R0.11 C#CC(CC)OCC=O 34a_100000758843_200009817547 [0,1,1,0,0,0|2,0,0]=4 2176 B8R0.11 C#CC(CC)OCC=O 7a_100000758843_200015260668 [0,1,1,0,0,0|2,0,0]=4 2177 B8R0.11 C#CC(CC)OCCC 34a_100000758843_100000210303 [0,1,1,0,0,0|1,0,1]=4 2178 B8R0.11 C#CC(CC)OCCC 7a_100000758843_100000210303 [0,1,1,0,0,0|1,0,1]=4 2179 B8R0.11 C=CC(CC)OCC=O 34a_100000766422_200009817547 [0,1,1,0,0,0|2,0,0]=4 2180 B8R0.11 C=CC(CC)OCC=O 7a_100000766422_200015260668 [0,1,1,0,0,0|2,0,0]=4 2181 B8R0.11 C=CC(CC)OCCC 34a_100000766422_100000210303 [0,1,1,0,0,0|1,0,1]=4 2182 B8R0.11 C=CC(CC)OCCC 7a_100000766422_100000210303 [0,1,1,0,0,0|1,0,1]=4 2183 B8R0.11 C=CCN[C@@H](CC)CO 2230a_100000709445_100000210623 [0,1,1,0,0,0|2,0,0]=4 2184 B8R0.11 CCC(CC)NCC=O 2230a_100000199018_200015260668 [0,1,1,0,0,0|2,0,0]=4 2185 B8R0.11 CCC(CC)OCC=O 7a_100000688536_200015260668 [0,1,1,0,0,0|2,0,0]=4 2186 B8R0.11 CCC(CC)SCC=O 62a_100000210505_200015260668 [0,1,1,0,0,0|2,0,0]=4 2187 B8R0.11 CCC(CC)SCC=O 62a_200015260668_100000210505 [0,1,1,0,0,0|2,0,0]=4 2188 B8R0.11 CCCCC(CC)OC 34a_100011215227_200000210301 [0,1,1,0,0,0|1,0,1]=4 2189 B8R0.11 CCCCC(CC)OC 34a_100138415774_200011216223 [0,1,1,0,0,0|1,0,1]=4 2190 B8R0.11 CCCCC(CC)OC 7a_100011215227_200000210301 [0,1,1,0,0,0|1,0,1]=4 2191 B8R0.11 CCCCC(CC)O[13CH3] 34a_100011215227_200025704644 [0,1,1,0,0,0|1,0,1]=4 2192 B8R0.11 CCCCC(CC)O[13CH3] 7a_100011215227_200025704644 [0,1,1,0,0,0|1,0,1]=4 2193 B8R0.11 CCCOC(CC)CC 7a_100000688536_100000210303 [0,1,1,0,0,0|1,0,1]=4 2194 B8R0.11 CC[C@@H](CO)NCC=O 2230a_100000709445_200015260668 [0,1,1,0,0,0|1,0,0]=3 2195 B8R0.11 O=CCNC(CO)CO 2230a_100000759517_200015260668 [0,1,1,0,0,0|2,0,0]=4 2196 B8R0.25 CCC(C)(C)NCC=O 2230a_100000211385_200015260668 [0,1,1,0,0,0|2,0,0]=4 2197 B8R0.25 CCC(C)(C)OCC=O 7a_100000210230_200015260668 [0,1,1,0,0,0|2,0,0]=4 2198 B8R0.25 CCC(C)(C)SCC=O 62a_100000032637_200015260668 [0,1,1,0,0,0|2,0,0]=4 2199 B8R0.25 CCC(C)(C)SCC=O 62a_200015260668_100000032637 [0,1,1,0,0,0|2,0,0]=4 2200 B8R0.25 CCCNS(=O)(=O)CC 270084a_100020643023_100000211323 [0,1,1,0,0,0|2,0,0]=4 2201 B8R0.25 CCCNS(=O)(=O)CC 274078a_100020643023_100000211323 [0,1,1,0,0,0|2,0,0]=4 2202 B8R0.25 CCCNS(=O)(=O)CC 40a_100020643023_100000053943 [0,1,1,0,0,0|2,0,0]=4 2203 B8R0.25 CCCOC(C)(C)CC 7a_100000210230_100000210303 [0,1,1,0,0,0|1,0,1]=4 2204 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [0,1,1,0,0,0|1,0,1]=4 2205 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [0,1,1,0,0,0|1,0,1]=4 2206 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [0,1,1,0,0,0|1,0,1]=4 2207 B8R0.7 C#CCCNCC(=O)O 269956a_100016091260_100000688953 [0,1,1,0,0,0|0,0,2]=4 2208 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [0,1,1,0,0,0|0,0,2]=4 2209 B8R0.7 C=C(Br)CCOCCC 34a_100009813270_100000210303 [0,1,1,0,0,0|2,0,0]=4 2210 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [0,1,1,0,0,0|2,0,0]=4 2211 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [0,1,1,0,0,0|2,0,0]=4 2212 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [0,1,1,0,0,0|2,0,0]=4 2213 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [0,1,1,0,0,0|2,0,0]=4 2214 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [0,1,1,0,0,0|2,0,0]=4 2215 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [0,1,1,0,0,0|2,0,0]=4 2216 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [0,1,1,0,0,0|2,0,0]=4 2217 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [0,1,1,0,0,0|2,0,0]=4 2218 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [0,1,1,0,0,0|2,0,0]=4 2219 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [0,1,1,0,0,0|2,0,0]=4 2220 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [0,1,1,0,0,0|2,0,0]=4 2221 B8R0.7 C=C(F)CNCCCC 2230a_100000102301_100009893438 [0,1,1,0,0,0|2,0,0]=4 2222 B8R0.7 C=C(F)CNCCCC 7a_106832991798_100000042424 [0,1,1,0,0,0|2,0,0]=4 2223 B8R0.7 C=C(F)COCCCC 34a_100000210227_100009893438 [0,1,1,0,0,0|2,0,0]=4 2224 B8R0.7 C=C(F)COCCCC 34a_200010262243_100000210210 [0,1,1,0,0,0|2,0,0]=4 2225 B8R0.7 C=C(F)COCCCC 7a_100000210227_100000042424 [0,1,1,0,0,0|2,0,0]=4 2226 B8R0.7 C=C(F)CSCCCC 62a_100000042424_100000210210 [0,1,1,0,0,0|2,0,0]=4 2227 B8R0.7 C=C(F)CSCCCC 62a_100000210211_100000042424 [0,1,1,0,0,0|2,0,0]=4 2228 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [0,1,1,0,0,0|1,0,1]=4 2229 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [0,1,1,0,0,0|1,0,1]=4 2230 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [0,1,1,0,0,0|1,0,1]=4 2231 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [0,1,1,0,0,0|0,0,2]=4 2232 B8R0.7 CC#CCNCC(=O)O 269956a_100016091260_100000748600 [0,1,1,0,0,0|0,0,2]=4 2233 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [0,1,1,0,0,0|1,0,1]=4 2234 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [0,1,1,0,0,0|1,0,0]=3 2235 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [0,1,1,0,0,0|1,0,0]=3 2236 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [0,1,1,0,0,0|1,0,0]=3 2237 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [0,1,1,0,0,0|1,0,0]=3 2238 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [0,1,1,0,0,0|1,0,0]=3 2239 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [0,1,1,0,0,0|2,0,0]=4 2240 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [0,1,1,0,0,0|2,0,0]=4 2241 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [0,1,1,0,0,0|2,0,0]=4 2242 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [0,1,1,0,0,0|2,0,0]=4 2243 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [0,1,1,0,0,0|2,0,0]=4 2244 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [0,1,1,0,0,0|2,0,0]=4 2245 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [0,1,1,0,0,0|2,0,0]=4 2246 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [0,1,1,0,0,0|2,0,0]=4 2247 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [0,1,1,0,0,0|2,0,0]=4 2248 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [0,1,1,0,0,0|2,0,0]=4 2249 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [0,1,1,0,0,0|2,0,0]=4 2250 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [0,1,1,0,0,0|2,0,0]=4 2251 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [0,1,1,0,0,0|2,0,0]=4 2252 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [0,1,1,0,0,0|2,0,0]=4 2253 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [0,1,1,0,0,0|2,0,0]=4 2254 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [0,1,1,0,0,0|2,0,0]=4 2255 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [0,1,1,0,0,0|2,0,0]=4 2256 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [0,1,1,0,0,0|2,0,0]=4 2257 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [0,1,1,0,0,0|2,0,0]=4 2258 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [0,1,1,0,0,0|2,0,0]=4 2259 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [0,1,1,0,0,0|2,0,0]=4 2260 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [0,1,1,0,0,0|2,0,0]=4 2261 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [0,1,1,0,0,0|2,0,0]=4 2262 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [0,1,1,0,0,0|2,0,0]=4 2263 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [0,1,1,0,0,0|1,0,1]=4 2264 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [0,1,1,0,0,0|1,0,1]=4 2265 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [0,1,1,0,0,0|1,0,1]=4 2266 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [0,1,1,0,0,0|1,0,1]=4 2267 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [0,1,1,0,0,0|1,0,1]=4 2268 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [0,1,1,0,0,0|1,0,0]=3 2269 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [0,1,1,0,0,0|1,0,0]=3 2270 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [0,1,1,0,0,0|1,0,0]=3 2271 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [0,1,1,0,0,0|1,0,0]=3 2272 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [0,1,1,0,0,0|1,0,0]=3 2273 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [0,1,1,0,0,0|1,0,0]=3 2274 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [0,1,1,0,0,0|1,0,0]=3 2275 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [0,1,1,0,0,0|1,0,0]=3 2276 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [0,1,1,0,0,0|1,0,0]=3 2277 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [0,1,1,0,0,0|1,0,0]=3 2278 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [0,1,1,0,0,0|0,0,0]=2 2279 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [0,1,1,0,0,0|1,0,1]=4 2280 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [0,1,1,0,0,0|1,0,1]=4 2281 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [0,1,1,0,0,0|1,0,1]=4 2282 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [0,1,1,0,0,0|1,0,1]=4 2283 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [0,1,1,0,0,0|1,0,1]=4 2284 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [0,1,1,0,0,0|1,0,1]=4 2285 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [0,1,1,0,0,0|2,0,0]=4 2286 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [0,1,1,0,0,0|1,0,0]=3 2287 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [0,1,1,0,0,0|1,0,0]=3 2288 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [0,1,1,0,0,0|1,0,0]=3 2289 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [0,1,1,0,0,0|1,0,0]=3 2290 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [0,1,1,0,0,0|1,0,0]=3 2291 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [0,1,1,0,0,0|1,0,0]=3 2292 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [0,1,1,0,0,0|0,0,1]=3 2293 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [0,1,1,0,0,0|1,0,1]=4 2294 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [0,1,1,0,0,0|1,0,1]=4 2295 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [0,1,1,0,0,0|1,0,1]=4 2296 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [0,1,1,0,0,0|1,0,1]=4 2297 B8R0.7 CCCCOC[N+](=O)[O-] 34a_100000210227_100000761209 [0,1,1,0,0,0|1,0,1]=4 2298 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [0,1,1,0,0,0|1,0,0]=3 2299 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [0,1,1,0,0,0|1,0,0]=3 2300 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [0,1,1,0,0,0|1,0,0]=3 2301 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [0,1,1,0,0,0|1,0,0]=3 2302 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [0,1,1,0,0,0|0,0,1]=3 2303 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [0,1,1,0,0,0|0,0,1]=3 2304 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [0,1,1,0,0,0|1,0,1]=4 2305 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [0,1,1,0,0,0|1,0,1]=4 2306 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [0,1,1,0,0,0|1,0,1]=4 2307 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [0,1,1,0,0,0|1,0,1]=4 2308 B8R0.7 CCCCSC[N+](=O)[O-] 62a_100000210211_100000761209 [0,1,1,0,0,0|1,0,1]=4 2309 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [0,1,1,0,0,0|1,0,1]=4 2310 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [0,1,1,0,0,0|1,0,0]=3 2311 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [0,1,1,0,0,0|1,0,0]=3 2312 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [0,1,1,0,0,0|1,0,0]=3 2313 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [0,1,1,0,0,0|1,0,0]=3 2314 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [0,1,1,0,0,0|1,0,0]=3 2315 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [0,1,1,0,0,0|1,0,0]=3 2316 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [0,1,1,0,0,0|1,0,0]=3 2317 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [0,1,1,0,0,0|1,0,1]=4 2318 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [0,1,1,0,0,0|2,0,0]=4 2319 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [0,1,1,0,0,0|1,0,0]=3 2320 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [0,1,1,0,0,0|1,0,0]=3 2321 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [0,1,1,0,0,0|1,0,0]=3 2322 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [0,1,1,0,0,0|1,0,0]=3 2323 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [0,1,1,0,0,0|1,0,1]=4 2324 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [0,1,1,0,0,0|1,0,1]=4 2325 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [0,1,1,0,0,0|2,0,0]=4 2326 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [0,1,1,0,0,0|2,0,0]=4 2327 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [0,1,1,0,0,0|1,0,0]=3 2328 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [0,1,1,0,0,0|1,0,1]=4 2329 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [0,1,1,0,0,0|2,0,0]=4 2330 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [0,1,1,0,0,0|2,0,0]=4 2331 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [0,1,1,0,0,0|2,0,0]=4 2332 B8R0.7 CCNCCNC(=O)N 2230a_100015525214_200000034859 [0,1,1,0,0,0|2,0,0]=4 2333 B8R0.7 CCNCCNC(=O)N 34a_100020590234_100000210202 [0,1,1,0,0,0|2,0,0]=4 2334 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [0,1,1,0,0,0|1,0,0]=3 2335 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [0,1,1,0,0,0|1,0,0]=3 2336 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [0,1,1,0,0,0|1,0,0]=3 2337 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [0,1,1,0,0,0|1,0,0]=3 2338 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [0,1,1,0,0,0|1,0,0]=3 2339 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [0,1,1,0,0,0|1,0,1]=4 2340 B8R0.7 CCOCCC[N+](=O)[O-] 34a_200000037920_100000210202 [0,1,1,0,0,0|1,0,1]=4 2341 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [0,1,1,0,0,0|2,0,0]=4 2342 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [0,1,1,0,0,0|2,0,0]=4 2343 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [0,1,1,0,0,0|2,0,0]=4 2344 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [0,1,1,0,0,0|2,0,0]=4 2345 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [0,1,1,0,0,0|2,0,0]=4 2346 B8R0.7 CCOCCNC(=O)N 34a_100000181757_100000210202 [0,1,1,0,0,0|2,0,0]=4 2347 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [0,1,1,0,0,0|2,0,0]=4 2348 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [0,1,1,0,0,0|2,0,0]=4 2349 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [0,1,1,0,0,0|2,0,0]=4 2350 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [0,1,1,0,0,0|1,0,0]=3 2351 B8R0.7 CCOCSCC(=O)N 62a_100000739092_100000747473 [0,1,1,0,0,0|2,0,0]=4 2352 B8R0.7 CCOCSCC(=O)N 62a_100000747473_100000739092 [0,1,1,0,0,0|2,0,0]=4 2353 B8R0.7 CCOCSCC(=O)[O-] 62a_100000739092_100020667443 [0,1,1,0,0,0|1,0,1]=4 2354 B8R0.7 CCOCSCC(=O)[O-] 62a_100020667443_100000739092 [0,1,1,0,0,0|1,0,1]=4 2355 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [0,1,1,0,0,0|1,0,0]=3 2356 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [0,1,1,0,0,0|1,0,0]=3 2357 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [0,1,1,0,0,0|1,0,0]=3 2358 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [0,1,1,0,0,0|1,0,0]=3 2359 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [0,1,1,0,0,0|1,0,1]=4 2360 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [0,1,1,0,0,0|1,0,1]=4 2361 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [0,1,1,0,0,0|2,0,0]=4 2362 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [0,1,1,0,0,0|2,0,0]=4 2363 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [0,1,1,0,0,0|2,0,0]=4 2364 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [0,1,1,0,0,0|2,0,0]=4 2365 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [0,1,1,0,0,0|2,0,0]=4 2366 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [0,1,1,0,0,0|2,0,0]=4 2367 B8R0.7 CCSCCNC(=O)N 62a_100000210202_200000034859 [0,1,1,0,0,0|2,0,0]=4 2368 B8R0.7 CCSCCNC(=O)N 62a_200000034859_100000210202 [0,1,1,0,0,0|2,0,0]=4 2369 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [0,1,1,0,0,0|2,0,0]=4 2370 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [0,1,1,0,0,0|2,0,0]=4 2371 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [0,1,1,0,0,0|2,0,0]=4 2372 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [0,1,1,0,0,0|2,0,0]=4 2373 B8R0.7 CNCCCCB(O)O 2230a_106832991635_200009817182 [0,1,1,0,0,0|1,0,1]=4 2374 B8R0.7 CNCCCCB(O)O 34a_100102657272_200009817182 [0,1,1,0,0,0|1,0,1]=4 2375 B8R0.7 CNCCCCB(O)O 7a_106832991635_200009817182 [0,1,1,0,0,0|1,0,1]=4 2376 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [0,1,1,0,0,0|1,0,0]=3 2377 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [0,1,1,0,0,0|1,0,0]=3 2378 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [0,1,1,0,0,0|1,0,0]=3 2379 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [0,1,1,0,0,0|2,0,0]=4 2380 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [0,1,1,0,0,0|2,0,0]=4 2381 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [0,1,1,0,0,0|2,0,0]=4 2382 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [0,1,1,0,0,0|2,0,0]=4 2383 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [0,1,1,0,0,0|2,0,0]=4 2384 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [0,1,1,0,0,0|2,0,0]=4 2385 B8R0.7 CNCCOCC(=O)N 2230a_106832991635_100000076697 [0,1,1,0,0,0|2,0,0]=4 2386 B8R0.7 CNCCOCC(=O)N 34a_100102657272_100000076697 [0,1,1,0,0,0|2,0,0]=4 2387 B8R0.7 CNCCOCC(=O)N 7a_106832991635_100000076697 [0,1,1,0,0,0|2,0,0]=4 2388 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [0,1,1,0,0,0|1,0,0]=3 2389 B8R0.7 COCCCCB(O)O 34a_100138415774_200009817182 [0,1,1,0,0,0|1,0,1]=4 2390 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [0,1,1,0,0,0|1,0,0]=3 2391 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [0,1,1,0,0,0|1,0,0]=3 2392 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [0,1,1,0,0,0|1,0,0]=3 2393 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [0,1,1,0,0,0|1,0,0]=3 2394 B8R0.7 COCCCC[N+](=O)[O-] 34a_200015379883_200000210301 [0,1,1,0,0,0|1,0,1]=4 2395 B8R0.7 COCCCC[N+](=O)[O-] 7a_200015379883_200000210301 [0,1,1,0,0,0|1,0,1]=4 2396 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [0,1,1,0,0,0|2,0,0]=4 2397 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [0,1,1,0,0,0|2,0,0]=4 2398 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [0,1,1,0,0,0|2,0,0]=4 2399 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [0,1,1,0,0,0|2,0,0]=4 2400 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [0,1,1,0,0,0|2,0,0]=4 2401 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [0,1,1,0,0,0|2,0,0]=4 2402 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [0,1,1,0,0,0|2,0,0]=4 2403 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [0,1,1,0,0,0|2,0,0]=4 2404 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [0,1,1,0,0,0|1,0,0]=3 2405 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [0,1,1,0,0,0|2,0,0]=4 2406 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [0,1,1,0,0,0|2,0,0]=4 2407 B8R0.7 COCCOCC(=O)N 34a_100000210237_100000187820 [0,1,1,0,0,0|2,0,0]=4 2408 B8R0.7 COCCOCC(=O)N 34a_100138415774_100000076697 [0,1,1,0,0,0|2,0,0]=4 2409 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [0,1,1,0,0,0|2,0,0]=4 2410 B8R0.7 COCCOCC(=O)[O-] 34a_100000210237_100020667443 [0,1,1,0,0,0|1,0,1]=4 2411 B8R0.7 COCCSCC(=O)N 62a_100000233755_100000747473 [0,1,1,0,0,0|2,0,0]=4 2412 B8R0.7 COCCSCC(=O)N 62a_100000747473_100000233755 [0,1,1,0,0,0|2,0,0]=4 2413 B8R0.7 COCCSCC(=O)[O-] 62a_100000233755_100020667443 [0,1,1,0,0,0|1,0,1]=4 2414 B8R0.7 COCCSCC(=O)[O-] 62a_100020667443_100000233755 [0,1,1,0,0,0|1,0,1]=4 2415 B8R0.7 COCNOCC(=O)O 269956a_100000106656_100000766300 [0,1,1,0,0,0|2,0,0]=4 2416 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [0,1,1,0,0,0|2,0,0]=4 2417 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [0,1,1,0,0,0|2,0,0]=4 2418 B8R0.7 COCSCCC(=O)N 62a_100000744528_100000766300 [0,1,1,0,0,0|2,0,0]=4 2419 B8R0.7 COCSCCC(=O)N 62a_100000766300_100000744528 [0,1,1,0,0,0|2,0,0]=4 2420 B8R0.7 CSCCCCB(O)O 62a_200000210301_200009817182 [0,1,1,0,0,0|1,0,1]=4 2421 B8R0.7 CSCCCCB(O)O 62a_200009817182_200000210301 [0,1,1,0,0,0|1,0,1]=4 2422 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [0,1,1,0,0,0|1,0,0]=3 2423 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [0,1,1,0,0,0|1,0,0]=3 2424 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [0,1,1,0,0,0|2,0,0]=4 2425 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [0,1,1,0,0,0|2,0,0]=4 2426 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [0,1,1,0,0,0|2,0,0]=4 2427 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [0,1,1,0,0,0|2,0,0]=4 2428 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [0,1,1,0,0,0|2,0,0]=4 2429 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [0,1,1,0,0,0|2,0,0]=4 2430 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [0,1,1,0,0,0|2,0,0]=4 2431 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [0,1,1,0,0,0|2,0,0]=4 2432 B8R0.7 CSCCNCC(=O)N 2230a_100000711301_100000751147 [0,1,1,0,0,0|2,0,0]=4 2433 B8R0.7 CSCCNCC(=O)N 2230a_100020590264_100000747473 [0,1,1,0,0,0|2,0,0]=4 2434 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [0,1,1,0,0,0|1,0,0]=3 2435 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [0,1,1,0,0,0|2,0,0]=4 2436 B8R0.7 CSCCOCC(=O)N 34a_100000230434_100000187820 [0,1,1,0,0,0|2,0,0]=4 2437 B8R0.7 CSCCOCC(=O)N 62a_100000076697_200000210301 [0,1,1,0,0,0|2,0,0]=4 2438 B8R0.7 CSCCOCC(=O)N 62a_200000210301_100000076697 [0,1,1,0,0,0|2,0,0]=4 2439 B8R0.7 CSCCOCC(=O)N 7a_100000230434_100000187820 [0,1,1,0,0,0|2,0,0]=4 2440 B8R0.7 CSCCOCC(=O)[O-] 34a_100000230434_100020667443 [0,1,1,0,0,0|1,0,1]=4 2441 B8R0.7 CSCCSCC(=O)N 62a_100000212216_100000747473 [0,1,1,0,0,0|2,0,0]=4 2442 B8R0.7 CSCCSCC(=O)N 62a_100000747473_100000751147 [0,1,1,0,0,0|2,0,0]=4 2443 B8R0.7 CSCCSCC(=O)[O-] 62a_100000212216_100020667443 [0,1,1,0,0,0|1,0,1]=4 2444 B8R0.7 CSCCSCC(=O)[O-] 62a_100020667443_100000751147 [0,1,1,0,0,0|1,0,1]=4 2445 B8R0.7 CSCNOCC(=O)O 269956a_100000106656_100011218213 [0,1,1,0,0,0|2,0,0]=4 2446 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [0,1,1,0,0,0|2,0,0]=4 2447 B8R0.7 CSCOCCC(=O)N 34a_100000757172_100011218213 [0,1,1,0,0,0|2,0,0]=4 2448 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [0,1,1,0,0,0|2,0,0]=4 2449 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [0,1,1,0,0,0|2,0,0]=4 2450 B8R0.7 CSCSCCC(=O)N 62a_100000744528_100011218213 [0,1,1,0,0,0|2,0,0]=4 2451 B8R0.7 CSCSCCC(=O)N 62a_100011218213_100000744528 [0,1,1,0,0,0|2,0,0]=4 2452 B8R0.7 N#CCCNCC(=O)O 269956a_100016091260_100011215226 [0,1,1,0,0,0|1,0,1]=4 2453 B8R0.7 NC(=O)CCCNCF 34a_100000739312_100015361967 [0,1,1,0,0,0|2,0,0]=4 2454 B8R0.7 NC(=O)CCCSCF 62a_100015361967_100102525003 [0,1,1,0,0,0|2,0,0]=4 2455 B8R0.7 NC(=O)CCCSCF 62a_100102525003_100015361967 [0,1,1,0,0,0|2,0,0]=4 2456 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [0,1,1,0,0,0|2,0,0]=4 2457 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [0,1,1,0,0,0|2,0,0]=4 2458 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [0,1,1,0,0,0|2,0,0]=4 2459 B8R0.7 NC(=O)CCOCCBr 34a_100000211926_100000731001 [0,1,1,0,0,0|2,0,0]=4 2460 B8R0.7 NC(=O)CCOCCF 34a_100000757172_100011217306 [0,1,1,0,0,0|2,0,0]=4 2461 B8R0.7 NC(=O)CCOCCF 7a_100000757172_100011217306 [0,1,1,0,0,0|2,0,0]=4 2462 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [0,1,1,0,0,0|2,0,0]=4 2463 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [0,1,1,0,0,0|2,0,0]=4 2464 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [0,1,1,0,0,0|2,0,0]=4 2465 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [0,1,1,0,0,0|2,0,0]=4 2466 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [0,1,1,0,0,0|2,0,0]=4 2467 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [0,1,1,0,0,0|2,0,0]=4 2468 B8R0.7 NC(=O)CNCCCF 2230a_100000711301_100011934791 [0,1,1,0,0,0|2,0,0]=4 2469 B8R0.7 NC(=O)CNCCCF 2230a_100015189416_100000747473 [0,1,1,0,0,0|2,0,0]=4 2470 B8R0.7 NC(=O)CNCCCF 34a_100015189416_100000187820 [0,1,1,0,0,0|2,0,0]=4 2471 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [0,1,1,0,0,0|2,0,0]=4 2472 B8R0.7 NC(=O)COCCCBr 34a_100011217188_100000187820 [0,1,1,0,0,0|2,0,0]=4 2473 B8R0.7 NC(=O)COCCCCl 34a_100000230001_100000187820 [0,1,1,0,0,0|2,0,0]=4 2474 B8R0.7 NC(=O)COCCCF 34a_100000759539_100000187820 [0,1,1,0,0,0|2,0,0]=4 2475 B8R0.7 NC(=O)CSCCCF 62a_100000747473_100011934791 [0,1,1,0,0,0|2,0,0]=4 2476 B8R0.7 NC(=O)CSCCCF 62a_100011934791_100000747473 [0,1,1,0,0,0|2,0,0]=4 2477 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [0,1,1,0,0,0|2,0,0]=4 2478 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [0,1,1,0,0,0|2,0,0]=4 2479 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [0,1,1,0,0,0|2,0,0]=4 2480 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [0,1,1,0,0,0|1,0,1]=4 2481 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [0,1,1,0,0,0|2,0,0]=4 2482 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [0,1,1,0,0,0|1,0,0]=3 2483 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [0,1,1,0,0,0|1,0,0]=3 2484 B8R0.7 O=C(O)CONCCF 269956a_100000106656_100011217306 [0,1,1,0,0,0|2,0,0]=4 2485 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [0,1,1,0,0,0|2,0,0]=4 2486 B8R0.7 O=C([O-])CNCCCF 34a_100015189416_100020667443 [0,1,1,0,0,0|1,0,1]=4 2487 B8R0.7 O=C([O-])COCCCBr 34a_100011217188_100020667443 [0,1,1,0,0,0|1,0,1]=4 2488 B8R0.7 O=C([O-])COCCCCl 34a_100000230001_100020667443 [0,1,1,0,0,0|1,0,1]=4 2489 B8R0.7 O=C([O-])COCCCF 34a_100000759539_100020667443 [0,1,1,0,0,0|1,0,1]=4 2490 B8R0.7 O=C([O-])CSCCCF 62a_100011934791_100020667443 [0,1,1,0,0,0|1,0,1]=4 2491 B8R0.7 O=C([O-])CSCCCF 62a_100020667443_100011934791 [0,1,1,0,0,0|1,0,1]=4 2492 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [0,1,1,0,0,0|1,0,1]=4 2493 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [0,1,1,0,0,0|1,0,1]=4 2494 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [0,1,1,0,0,0|1,0,0]=3 2495 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [0,1,1,0,0,0|2,0,0]=4 2496 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [0,1,1,0,0,0|1,0,0]=3 2497 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [0,1,1,0,0,0|1,0,0]=3 2498 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [0,1,1,0,0,0|1,0,0]=3 2499 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [0,1,1,0,0,0|1,0,0]=3 2500 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 34a_200015379883_200025704644 [0,1,1,0,0,0|1,0,1]=4 2501 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 7a_200015379883_200025704644 [0,1,1,0,0,0|1,0,1]=4 2502 B8R0.7 [13CH3]SCCCCB(O)O 62a_200009817182_200025704644 [0,1,1,0,0,0|1,0,1]=4 2503 B8R0.7 [13CH3]SCCCCB(O)O 62a_200025704644_200009817182 [0,1,1,0,0,0|1,0,1]=4 2504 B8R0.7 [13CH3]SCCOCC(=O)N 62a_100000076697_200025704644 [0,1,1,0,0,0|2,0,0]=4 2505 B8R0.7 [13CH3]SCCOCC(=O)N 62a_200025704644_100000076697 [0,1,1,0,0,0|2,0,0]=4 2506 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [0,1,1,0,0,0|1,0,1]=4 2507 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [0,1,1,0,0,0|1,0,1]=4 2508 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [0,1,1,0,0,0|1,0,1]=4 2509 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [0,1,1,0,0,0|1,0,0]=3 2510 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [0,1,1,0,0,0|1,0,0]=3 2511 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [0,1,1,0,0,0|1,0,0]=3 2512 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [0,1,1,0,0,0|2,0,0]=4 2513 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [0,1,1,0,0,0|2,0,0]=4 2514 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [0,1,1,0,0,0|2,0,0]=4 2515 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [0,1,1,0,0,0|2,0,0]=4 2516 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [0,1,1,0,0,0|2,0,0]=4 2517 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [0,1,1,0,0,0|2,0,0]=4 2518 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [0,1,1,0,0,0|2,0,0]=4 2519 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [0,1,1,0,0,0|2,0,0]=4 2520 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [0,1,1,0,0,0|2,0,0]=4 2521 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [0,1,1,0,0,0|2,0,0]=4 2522 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [0,1,1,0,0,0|2,0,0]=4 2523 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [0,1,1,0,0,0|2,0,0]=4 2524 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [0,1,1,0,0,0|2,0,0]=4 2525 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [0,1,1,0,0,0|2,0,0]=4 2526 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [0,1,1,0,0,0|2,0,0]=4 2527 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [0,1,1,0,0,0|2,0,0]=4 2528 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [0,1,1,0,0,0|2,0,0]=4 2529 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [0,1,1,0,0,0|2,0,0]=4 2530 B8R0.28 CC(Br)COCC(=O)N 34a_100012180447_100000187820 [0,1,1,0,0,0|2,0,0]=4 2531 B8R0.28 CC(Br)COCC(=O)[O-] 34a_100012180447_100020667443 [0,1,1,0,0,0|1,0,1]=4 2532 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [0,1,1,0,0,0|1,0,0]=3 2533 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [0,1,1,0,0,0|2,0,0]=4 2534 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [0,1,1,0,0,0|2,0,0]=4 2535 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [0,1,1,0,0,0|2,0,0]=4 2536 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [0,1,1,0,0,0|1,0,0]=3 2537 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [0,1,1,0,0,0|1,0,1]=4 2538 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [0,1,1,0,0,0|2,0,0]=4 2539 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [0,1,1,0,0,0|2,0,0]=4 2540 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [0,1,1,0,0,0|1,0,1]=4 2541 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [0,1,1,0,0,0|2,0,0]=4 2542 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [0,1,1,0,0,0|2,0,0]=4 2543 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [0,1,1,0,0,0|1,0,1]=4 2544 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [0,1,1,0,0,0|1,0,1]=4 2545 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [0,1,1,0,0,0|2,0,0]=4 2546 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [0,1,1,0,0,0|2,0,0]=4 2547 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [0,1,1,0,0,0|2,0,0]=4 2548 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [0,1,1,0,0,0|2,0,0]=4 2549 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [0,1,1,0,0,0|2,0,0]=4 2550 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [0,1,1,0,0,0|2,0,0]=4 2551 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [0,1,1,0,0,0|2,0,0]=4 2552 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [0,1,1,0,0,0|2,0,0]=4 2553 B8R0.28 CC(F)COCC(=O)N 34a_100015925927_100000187820 [0,1,1,0,0,0|2,0,0]=4 2554 B8R0.28 CC(F)COCC(=O)[O-] 34a_100015925927_100020667443 [0,1,1,0,0,0|1,0,1]=4 2555 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [0,1,1,0,0,0|2,0,0]=4 2556 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [0,1,1,0,0,0|2,0,0]=4 2557 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [0,1,1,0,0,0|2,0,0]=4 2558 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [0,1,1,0,0,0|1,0,0]=3 2559 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [0,1,1,0,0,0|1,0,1]=4 2560 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [0,1,1,0,0,0|2,0,0]=4 2561 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [0,1,1,0,0,0|2,0,0]=4 2562 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [0,1,1,0,0,0|1,0,1]=4 2563 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [0,1,1,0,0,0|1,0,1]=4 2564 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [0,1,1,0,0,0|2,0,0]=4 2565 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [0,1,1,0,0,0|1,0,0]=3 2566 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [0,1,1,0,0,0|1,0,0]=3 2567 B8R0.28 C[C@@H](Cl)COCC(=O)N 34a_100016084084_100000187820 [0,1,1,0,0,0|2,0,0]=4 2568 B8R0.28 C[C@@H](Cl)COCC(=O)[O-] 34a_100016084084_100020667443 [0,1,1,0,0,0|1,0,1]=4 2569 B8R0.28 C[C@@H](N)COCC(=O)N 34a_100000737577_100000187820 [0,1,1,0,0,0|2,0,0]=4 2570 B8R0.28 C[C@@H](N)COCC(=O)[O-] 34a_100000737577_100020667443 [0,1,1,0,0,0|1,0,1]=4 2571 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [0,1,1,0,0,0|2,0,0]=4 2572 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [0,1,1,0,0,0|1,0,0]=3 2573 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [0,1,1,0,0,0|2,0,0]=4 2574 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [0,1,1,0,0,0|2,0,0]=4 2575 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [0,1,1,0,0,0|1,0,1]=4 2576 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [0,1,1,0,0,0|1,0,1]=4 2577 B8R0.28 O=C(O)CNCC(F)F 269956a_100016091260_100011934356 [0,1,1,0,0,0|2,0,0]=4 2578 B8R0.15 CCC(OCF)C(C)C 34a_100011218073_100015361967 [0,1,1,0,0,0|1,0,1]=4 2579 B8R0.15 CCC(OCF)C(C)C 7a_100011218073_100015361967 [0,1,1,0,0,0|1,0,1]=4 2580 B8R0.15 CCN(CC=O)C(C)C 2230a_100000223864_200015260668 [0,1,1,0,0,0|2,0,0]=4 2581 B8R0.15 CCN(CC=O)C(C)C 269982a_100000223864_200015260668 [0,1,1,0,0,0|2,0,0]=4 2582 B8R0.15 CCOC(CC)C(C)C 34a_100011218073_100000210202 [0,1,1,0,0,0|1,0,1]=4 2583 B8R0.15 CCOC(CC)C(C)C 7a_100011218073_100000210202 [0,1,1,0,0,0|1,0,1]=4 2584 B8R0.20 C=CC(=O)C(CC)CC 1458a_100000185746_100000210505 [0,1,1,0,0,0|2,0,0]=4 2585 B8R0.22 CCC(COC)OCF 7a_200011214946_100015361967 [0,1,1,0,0,0|1,0,1]=4 2586 B8R0.22 CCCC(CC)OCC 34a_100000687864_100000210202 [0,1,1,0,0,0|1,0,1]=4 2587 B8R0.22 CCCC(CC)OCC 7a_100000687864_100000210202 [0,1,1,0,0,0|1,0,1]=4 2588 B8R0.22 CCCC(CC)OCF 34a_100000687864_100015361967 [0,1,1,0,0,0|1,0,1]=4 2589 B8R0.22 CCCC(CC)OCF 7a_100000687864_100015361967 [0,1,1,0,0,0|1,0,1]=4 2590 B8R0.22 CCCN(CC)CC=O 2230a_100000226822_200015260668 [0,1,1,0,0,0|2,0,0]=4 2591 B8R0.22 CCCN(CC)CC=O 269982a_100000226822_200015260668 [0,1,1,0,0,0|2,0,0]=4 2592 B8R0.22 CCN(CC=O)CCO 2230a_100000210973_200015260668 [0,1,1,0,0,0|2,0,0]=4 2593 B8R0.22 CCN(CC=O)CCO 269982a_100000210973_200015260668 [0,1,1,0,0,0|2,0,0]=4 2594 B8R0.22 CCOC(CC)CNC 2230a_100015183923_200000210301 [0,1,1,0,0,0|1,0,1]=4 2595 B8R0.22 CCOC(CC)CNC 34a_100015183923_200000210301 [0,1,1,0,0,0|1,0,1]=4 2596 B8R0.22 CCOC(CC)CN[13CH3] 2230a_100015183923_200025704644 [0,1,1,0,0,0|1,0,1]=4 2597 B8R0.22 CCOC(CC)CN[13CH3] 34a_100015183923_200025704644 [0,1,1,0,0,0|1,0,1]=4 2598 B8R0.22 CCOC(CC)COC 7a_200011214946_100000210202 [0,1,1,0,0,0|1,0,1]=4 2599 B8R0.31 CCC(C)(CC)OCF 7a_100000755174_100015361967 [0,1,1,0,0,0|1,0,1]=4 2600 B8R0.31 CCOC(C)(CC)CC 7a_100000755174_100000210202 [0,1,1,0,0,0|1,0,1]=4 2601 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [1,1,0,0,0,0|0,0,2]=4 2602 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [1,1,0,0,0,0|0,0,2]=4 2603 B8R1.8 CCNC1CC=CC1 2230a_100015188752_100000210202 [1,1,0,0,0,0|1,0,1]=4 2604 B8R1.8 CCNC1CCCC1 2230a_100000211070_100000210202 [1,1,0,0,0,0|1,0,1]=4 2605 B8R1.8 CCNC1CCCC1 2230a_100015525214_100000179811 [1,1,0,0,0,0|1,0,1]=4 2606 B8R1.8 CCNC1CCCC1 270004a_100015525214_100000210133 [1,1,0,0,0,0|1,0,1]=4 2607 B8R1.8 CCNC1CCCC1 34a_100000211070_100000210202 [1,1,0,0,0,0|1,0,1]=4 2608 B8R1.8 CCNC1CCOC1 2230a_100015525214_100000731011 [1,1,0,0,0,0|2,0,0]=4 2609 B8R1.8 CCNC1CCOC1 270004a_100015525214_100000752484 [1,1,0,0,0,0|2,0,0]=4 2610 B8R1.8 CCNC1CCSC1 270004a_100015525214_100000212027 [1,1,0,0,0,0|2,0,0]=4 2611 B8R1.8 CCN[C@@H]1CCOC1 2230a_200015188469_100000210202 [1,1,0,0,0,0|2,0,0]=4 2612 B8R1.8 CCN[C@H]1CCOC1 2230a_100015188467_100000210202 [1,1,0,0,0,0|2,0,0]=4 2613 B8R1.8 CCN[C@H]1CCOC1 34a_100015188467_100000210202 [1,1,0,0,0,0|2,0,0]=4 2614 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [1,1,0,0,0,0|1,0,1]=4 2615 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [1,1,0,0,0,0|1,0,1]=4 2616 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [1,1,0,0,0,0|1,0,1]=4 2617 B8R1.8 CCOC1CCCO1 34a_100000085407_100000210202 [1,1,0,0,0,0|0,0,1]=3 2618 B8R1.8 CCOC1CCOC1 34a_100121572206_100000690089 [1,1,0,0,0,0|2,0,0]=4 2619 B8R1.8 CCOC1CCSC1 7a_100011232664_100000210202 [1,1,0,0,0,0|2,0,0]=4 2620 B8R1.8 CCO[C@H]1CCOC1 34a_100000717292_100000210202 [1,1,0,0,0,0|2,0,0]=4 2621 B8R1.8 CCSC1CCCC1 62a_100000210202_100000179811 [1,1,0,0,0,0|1,0,1]=4 2622 B8R1.8 CCSC1CCCC1 62a_100011217020_100000210202 [1,1,0,0,0,0|1,0,1]=4 2623 B8R1.8 CCSC1CCOC1 62a_100000210202_100000690089 [1,1,0,0,0,0|2,0,0]=4 2624 B8R1.8 CNCC1CCCC1 2230a_100000737975_200000210301 [1,1,0,0,0,0|1,0,1]=4 2625 B8R1.8 CNCC1CCCC1 2230a_106832991635_100000740388 [1,1,0,0,0,0|1,0,1]=4 2626 B8R1.8 CNCC1CCCC1 269862a_106832991636_100000746403 [1,1,0,0,0,0|1,0,1]=4 2627 B8R1.8 CNCC1CCCC1 34a_100000737975_200000210301 [1,1,0,0,0,0|1,0,1]=4 2628 B8R1.8 CNCC1CCCC1 34a_100102657272_100000740388 [1,1,0,0,0,0|1,0,1]=4 2629 B8R1.8 CNCC1CCCC1 7a_106832991635_100000740388 [1,1,0,0,0,0|1,0,1]=4 2630 B8R1.8 CNCC1CCCO1 2230a_106832991635_100000203698 [1,1,0,0,0,0|0,0,1]=3 2631 B8R1.8 CNCC1CCCO1 7a_106832991635_100000203698 [1,1,0,0,0,0|0,0,1]=3 2632 B8R1.8 CNCC1CCOC1 2230a_100000737293_200000210301 [1,1,0,0,0,0|2,0,0]=4 2633 B8R1.8 CNCC1CCOC1 2230a_106832991635_100000702531 [1,1,0,0,0,0|2,0,0]=4 2634 B8R1.8 CNCC1CCOC1 34a_100000737293_200000210301 [1,1,0,0,0,0|2,0,0]=4 2635 B8R1.8 CNCC1CCOC1 34a_100102657272_100011261433 [1,1,0,0,0,0|2,0,0]=4 2636 B8R1.8 CNCC1CCOC1 7a_106832991635_100000702531 [1,1,0,0,0,0|2,0,0]=4 2637 B8R1.8 CNCC1OCCO1 2230a_100000036311_200000210301 [1,1,0,0,0,0|1,0,1]=4 2638 B8R1.8 CNCC1OCCO1 2230a_106832991635_100000755774 [1,1,0,0,0,0|1,0,1]=4 2639 B8R1.8 CNCC1OCCO1 34a_100000036311_200000210301 [1,1,0,0,0,0|1,0,1]=4 2640 B8R1.8 CNCC1OCCO1 34a_100102657272_100000755774 [1,1,0,0,0,0|1,0,1]=4 2641 B8R1.8 CNCC1OCCO1 7a_106832991635_100000755774 [1,1,0,0,0,0|1,0,1]=4 2642 B8R1.8 CNC[C@@H]1CCCO1 2230a_100020590478_200000210301 [1,1,0,0,0,0|0,0,1]=3 2643 B8R1.8 CNC[C@@H]1CCCO1 34a_100020590478_200000210301 [1,1,0,0,0,0|0,0,1]=3 2644 B8R1.8 COCC1CC=CC1 34a_100000688395_200000210301 [1,1,0,0,0,0|1,0,1]=4 2645 B8R1.8 COCC1CCCC1 34a_100000742336_200000210301 [1,1,0,0,0,0|1,0,1]=4 2646 B8R1.8 COCC1CCCC1 34a_100138415774_100000740388 [1,1,0,0,0,0|1,0,1]=4 2647 B8R1.8 COCC1CCCC1 7a_100000742336_200000210301 [1,1,0,0,0,0|1,0,1]=4 2648 B8R1.8 COCC1CCCO1 34a_100000210270_200000210301 [1,1,0,0,0,0|0,0,1]=3 2649 B8R1.8 COCC1CCCO1 7a_100000210270_200000210301 [1,1,0,0,0,0|0,0,1]=3 2650 B8R1.8 COCC1CCNC1 34a_100000748654_200000210301 [1,1,0,0,0,0|2,0,0]=4 2651 B8R1.8 COCC1CCOC1 34a_100000740260_200000210301 [1,1,0,0,0,0|2,0,0]=4 2652 B8R1.8 COCC1CCOC1 34a_100138415774_100011261433 [1,1,0,0,0,0|2,0,0]=4 2653 B8R1.8 COCC1COCO1 34a_100011216627_200000210301 [1,1,0,0,0,0|1,0,1]=4 2654 B8R1.8 COCC1OCCO1 34a_100000087154_200000210301 [1,1,0,0,0,0|1,0,1]=4 2655 B8R1.8 COCC1OCCO1 34a_100138415774_100000755774 [1,1,0,0,0,0|1,0,1]=4 2656 B8R1.8 COC[C@H]1CCCN1 34a_100000745186_200000210301 [1,1,0,0,0,0|1,0,1]=4 2657 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [1,1,0,0,0,0|1,0,1]=4 2658 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [1,1,0,0,0,0|1,0,1]=4 2659 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [1,1,0,0,0,0|0,0,1]=3 2660 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [1,1,0,0,0,0|0,0,1]=3 2661 B8R1.8 CSCC1CCOC1 62a_100000702531_200000210301 [1,1,0,0,0,0|2,0,0]=4 2662 B8R1.8 CSCC1CCOC1 62a_200000210301_100000702531 [1,1,0,0,0,0|2,0,0]=4 2663 B8R1.8 CSCC1OCCO1 62a_100000755774_200000210301 [1,1,0,0,0,0|1,0,1]=4 2664 B8R1.8 CSCC1OCCO1 62a_200000210301_100000755774 [1,1,0,0,0,0|1,0,1]=4 2665 B8R1.8 FCOC1CCCO1 34a_100000085407_100015361967 [1,1,0,0,0,0|1,0,1]=4 2666 B8R1.8 [13CH3]NCC1CCCC1 2230a_100000737975_200025704644 [1,1,0,0,0,0|1,0,1]=4 2667 B8R1.8 [13CH3]NCC1CCCC1 34a_100000737975_200025704644 [1,1,0,0,0,0|1,0,1]=4 2668 B8R1.8 [13CH3]NCC1CCOC1 2230a_100000737293_200025704644 [1,1,0,0,0,0|2,0,0]=4 2669 B8R1.8 [13CH3]NCC1CCOC1 34a_100000737293_200025704644 [1,1,0,0,0,0|2,0,0]=4 2670 B8R1.8 [13CH3]NCC1OCCO1 2230a_100000036311_200025704644 [1,1,0,0,0,0|1,0,1]=4 2671 B8R1.8 [13CH3]NCC1OCCO1 34a_100000036311_200025704644 [1,1,0,0,0,0|1,0,1]=4 2672 B8R1.8 [13CH3]NC[C@@H]1CCCO1 2230a_100020590478_200025704644 [1,1,0,0,0,0|0,0,1]=3 2673 B8R1.8 [13CH3]NC[C@@H]1CCCO1 34a_100020590478_200025704644 [1,1,0,0,0,0|0,0,1]=3 2674 B8R1.8 [13CH3]OCC1CC=CC1 34a_100000688395_200025704644 [1,1,0,0,0,0|1,0,1]=4 2675 B8R1.8 [13CH3]OCC1CCCC1 34a_100000742336_200025704644 [1,1,0,0,0,0|1,0,1]=4 2676 B8R1.8 [13CH3]OCC1CCCC1 7a_100000742336_200025704644 [1,1,0,0,0,0|1,0,1]=4 2677 B8R1.8 [13CH3]OCC1CCCO1 34a_100000210270_200025704644 [1,1,0,0,0,0|0,0,1]=3 2678 B8R1.8 [13CH3]OCC1CCCO1 7a_100000210270_200025704644 [1,1,0,0,0,0|0,0,1]=3 2679 B8R1.8 [13CH3]OCC1CCNC1 34a_100000748654_200025704644 [1,1,0,0,0,0|2,0,0]=4 2680 B8R1.8 [13CH3]OCC1CCOC1 34a_100000740260_200025704644 [1,1,0,0,0,0|2,0,0]=4 2681 B8R1.8 [13CH3]OCC1COCO1 34a_100011216627_200025704644 [1,1,0,0,0,0|1,0,1]=4 2682 B8R1.8 [13CH3]OCC1OCCO1 34a_100000087154_200025704644 [1,1,0,0,0,0|1,0,1]=4 2683 B8R1.8 [13CH3]OC[C@H]1CCCN1 34a_100000745186_200025704644 [1,1,0,0,0,0|1,0,1]=4 2684 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [1,1,0,0,0,0|1,0,1]=4 2685 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [1,1,0,0,0,0|1,0,1]=4 2686 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [1,1,0,0,0,0|0,0,1]=3 2687 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [1,1,0,0,0,0|0,0,1]=3 2688 B8R1.8 [13CH3]SCC1CCOC1 62a_100000702531_200025704644 [1,1,0,0,0,0|2,0,0]=4 2689 B8R1.8 [13CH3]SCC1CCOC1 62a_200025704644_100000702531 [1,1,0,0,0,0|2,0,0]=4 2690 B8R1.8 [13CH3]SCC1OCCO1 62a_100000755774_200025704644 [1,1,0,0,0,0|1,0,1]=4 2691 B8R1.8 [13CH3]SCC1OCCO1 62a_200025704644_100000755774 [1,1,0,0,0,0|1,0,1]=4 2692 B8R1.11 CCC1C=CCN1C 2230a_100000730860_200000210301 [1,1,0,0,0,0|2,0,0]=4 2693 B8R1.11 CCC1C=CCN1C 269982a_100000730860_200000210301 [1,1,0,0,0,0|2,0,0]=4 2694 B8R1.11 CCC1C=CCN1C 34a_100000730860_200000210301 [1,1,0,0,0,0|2,0,0]=4 2695 B8R1.11 CCC1C=CCN1[13CH3] 2230a_100000730860_200025704644 [1,1,0,0,0,0|2,0,0]=4 2696 B8R1.11 CCC1C=CCN1[13CH3] 269982a_100000730860_200025704644 [1,1,0,0,0,0|2,0,0]=4 2697 B8R1.11 CCC1C=CCN1[13CH3] 34a_100000730860_200025704644 [1,1,0,0,0,0|2,0,0]=4 2698 B8R1.11 CCC1CCCN1C 2230a_100000754278_200000210301 [1,1,0,0,0,0|1,0,1]=4 2699 B8R1.11 CCC1CCCN1C 269982a_100000754278_200000210301 [1,1,0,0,0,0|1,0,1]=4 2700 B8R1.11 CCC1CCCN1C 34a_100000754278_200000210301 [1,1,0,0,0,0|1,0,1]=4 2701 B8R1.11 CCC1CCCN1[13CH3] 2230a_100000754278_200025704644 [1,1,0,0,0,0|1,0,1]=4 2702 B8R1.11 CCC1CCCN1[13CH3] 269982a_100000754278_200025704644 [1,1,0,0,0,0|1,0,1]=4 2703 B8R1.11 CCC1CCCN1[13CH3] 34a_100000754278_200025704644 [1,1,0,0,0,0|1,0,1]=4 2704 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [0,1,0,0,1,0|0,0,0]=2 2705 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [0,1,0,0,1,0|0,0,0]=2 2706 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [0,1,0,0,1,0|0,0,0]=2 2707 B8R1.13 COCC1CCN1C 2230a_100015195929_200000210301 [0,1,0,0,1,0|2,0,0]=4 2708 B8R1.13 COCC1CCN1C 269982a_100015195929_200000210301 [0,1,0,0,1,0|2,0,0]=4 2709 B8R1.13 COCC1CCN1C 34a_100015195929_200000210301 [0,1,0,0,1,0|2,0,0]=4 2710 B8R1.13 COCC1CCN1[13CH3] 2230a_100015195929_200025704644 [0,1,0,0,1,0|2,0,0]=4 2711 B8R1.13 COCC1CCN1[13CH3] 269982a_100015195929_200025704644 [0,1,0,0,1,0|2,0,0]=4 2712 B8R1.13 COCC1CCN1[13CH3] 34a_100015195929_200025704644 [0,1,0,0,1,0|2,0,0]=4 2713 B8R1.13 O=C1CCC1SCF 62a_100009892977_100015361967 [0,1,0,0,1,0|1,0,0]=3 2714 B8R1.13 O=C1CCC1SCF 62a_100015361967_100009892977 [0,1,0,0,1,0|1,0,0]=3 2715 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [0,1,0,0,1,0|0,0,1]=3 2716 B8R1.31 CN(C)C1CCC1=O 269982a_100102631434_100009892977 [0,1,0,0,1,0|1,0,0]=3 2717 B8R1.6 C=C1CC(C1)CNC 2230a_100102567296_200000210301 [0,1,0,0,1,0|2,0,0]=4 2718 B8R1.6 C=C1CC(C1)CNC 34a_100102567296_200000210301 [0,1,0,0,1,0|2,0,0]=4 2719 B8R1.6 C=C1CC(C1)CN[13CH3] 2230a_100102567296_200025704644 [0,1,0,0,1,0|2,0,0]=4 2720 B8R1.6 C=C1CC(C1)CN[13CH3] 34a_100102567296_200025704644 [0,1,0,0,1,0|2,0,0]=4 2721 B8R1.6 C=C1CC(C1)COC 34a_100011011225_200000210301 [0,1,0,0,1,0|2,0,0]=4 2722 B8R1.6 C=C1CC(C1)CO[13CH3] 34a_100011011225_200025704644 [0,1,0,0,1,0|2,0,0]=4 2723 B8R1.6 C=C1CC(C1)NCC 2230a_100132301982_100000210202 [0,1,0,0,1,0|2,0,0]=4 2724 B8R1.6 CCSC1CC(=O)C1 62a_100009894365_100000210202 [0,1,0,0,1,0|1,0,0]=3 2725 B8R1.6 CNCC1CC(=O)C1 2230a_106832991635_100009874392 [0,1,0,0,1,0|1,0,0]=3 2726 B8R1.6 CNCC1CC(=O)C1 7a_106832991635_100009874392 [0,1,0,0,1,0|1,0,0]=3 2727 B8R1.6 COCC1CC(=O)C1 34a_100000101936_200000210301 [0,1,0,0,1,0|1,0,0]=3 2728 B8R1.6 CSCC1CC(=O)C1 62a_100009874392_200000210301 [0,1,0,0,1,0|1,0,0]=3 2729 B8R1.6 CSCC1CC(=O)C1 62a_200000210301_100009874392 [0,1,0,0,1,0|1,0,0]=3 2730 B8R1.6 O=C1CC(C1)SCF 62a_100009894365_100015361967 [0,1,0,0,1,0|2,0,0]=4 2731 B8R1.6 [13CH3]OCC1CC(=O)C1 34a_100000101936_200025704644 [0,1,0,0,1,0|1,0,0]=3 2732 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_100009874392_200025704644 [0,1,0,0,1,0|1,0,0]=3 2733 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_200025704644_100009874392 [0,1,0,0,1,0|1,0,0]=3 2734 B8R1.23 CC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200000210301 [0,1,0,0,1,0|1,0,1]=4 2735 B8R1.23 CN(C)C1CC(=O)C1 269982a_100102631434_100009894365 [0,1,0,0,1,0|2,0,0]=4 2736 B8R1.23 [13CH3]C(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200025704644 [0,1,0,0,1,0|1,0,1]=4 2737 B10R1.1 C=C1CCC(CC1)COC 34a_100000074039_200000210301 [0,1,0,0,0,1|2,0,0]=4 2738 B10R1.1 C=C1CCC(CC1)CO[13CH3] 34a_100000074039_200025704644 [0,1,0,0,0,1|2,0,0]=4 2739 B10R1.1 C=C1CCC(CC1)NCC 270004a_100015525214_100010272673 [0,1,0,0,0,1|2,0,0]=4 2740 B10R1.1 CCNC1CCC(=O)NC1 2230a_100000748762_100000210202 [0,1,0,0,0,1|1,0,0]=3 2741 B10R1.1 CCNC1CCC(=O)NC1 34a_100000748762_100000210202 [0,1,0,0,0,1|1,0,0]=3 2742 B10R1.1 CCOC1CCC(=O)CC1 34a_100000764474_100000210202 [0,1,0,0,0,1|1,0,0]=3 2743 B10R1.1 CCOC1CCC(=O)CC1 7a_100000764474_100000210202 [0,1,0,0,0,1|1,0,0]=3 2744 B10R1.1 CCOC1CCC(=O)NC1 34a_100000079199_100000210202 [0,1,0,0,0,1|1,0,0]=3 2745 B10R1.1 CCOC1CNC(=O)NC1 34a_100000080929_100000210202 [0,1,0,0,0,1|2,0,0]=4 2746 B10R1.1 COCC1CCC(=O)CC1 34a_100000062911_200000210301 [0,1,0,0,0,1|1,0,0]=3 2747 B10R1.1 O=C1CCC(CC1)OCF 34a_100000764474_100015361967 [0,1,0,0,0,1|2,0,0]=4 2748 B10R1.1 O=C1CCC(CC1)OCF 7a_100000764474_100015361967 [0,1,0,0,0,1|2,0,0]=4 2749 B10R1.1 O=C1CCC(CN1)NCF 34a_100000748762_100015361967 [0,1,0,0,0,1|2,0,0]=4 2750 B10R1.1 O=C1CCC(CN1)OCF 34a_100000079199_100015361967 [0,1,0,0,0,1|2,0,0]=4 2751 B10R1.1 [13CH3]OCC1CCC(=O)CC1 34a_100000062911_200025704644 [0,1,0,0,0,1|1,0,0]=3 2752 B10R1.13 CC(=O)C1CCC(=O)NC1 1458a_100000740907_200000210301 [0,1,0,0,0,1|1,0,1]=4 2753 B10R1.13 [13CH3]C(=O)C1CCC(=O)NC1 1458a_100000740907_200025704644 [0,1,0,0,0,1|1,0,1]=4 2754 B10R1.25 CNC1CCC(=O)NC1=O 2230a_100000691121_200000210301 [0,1,0,0,0,1|2,0,0]=4 2755 B10R1.25 CNC1CCC(=O)NC1=O 2230a_106832991635_100000694648 [0,1,0,0,0,1|2,0,0]=4 2756 B10R1.25 CNC1CCC(=O)NC1=O 34a_100000691121_200000210301 [0,1,0,0,0,1|2,0,0]=4 2757 B10R1.25 CNC1CCC(=O)NC1=O 7a_106832991635_100000694648 [0,1,0,0,0,1|2,0,0]=4 2758 B10R1.25 CSC1CCC(=O)NC1=O 62a_100000694648_200000210301 [0,1,0,0,0,1|2,0,0]=4 2759 B10R1.25 CSC1CCC(=O)NC1=O 62a_200000210301_100000694648 [0,1,0,0,0,1|2,0,0]=4 2760 B10R1.25 [13CH3]NC1CCC(=O)NC1=O 2230a_100000691121_200025704644 [0,1,0,0,0,1|2,0,0]=4 2761 B10R1.25 [13CH3]NC1CCC(=O)NC1=O 34a_100000691121_200025704644 [0,1,0,0,0,1|2,0,0]=4 2762 B10R1.25 [13CH3]SC1CCC(=O)NC1=O 62a_100000694648_200025704644 [0,1,0,0,0,1|2,0,0]=4 2763 B10R1.25 [13CH3]SC1CCC(=O)NC1=O 62a_200025704644_100000694648 [0,1,0,0,0,1|2,0,0]=4 2764 B10R1.176 CN1CC(CCC1=O)N[13CH3] 2230a_100011935005_200025704644 [0,1,0,0,0,1|2,0,0]=4 2765 B10R1.176 CN1CC(CCC1=O)N[13CH3] 34a_100011935005_200025704644 [0,1,0,0,0,1|2,0,0]=4 2766 B10R1.176 CNC1CCC(=O)N(C1)C 2230a_100011935005_200000210301 [0,1,0,0,0,1|2,0,0]=4 2767 B10R1.176 CNC1CCC(=O)N(C1)C 34a_100011935005_200000210301 [0,1,0,0,0,1|2,0,0]=4 2768 B10R1.473 CC1(CCC(=O)CC1)O[13CH3] 34a_100012184276_200025704644 [0,1,0,0,0,1|2,0,0]=4 2769 B10R1.473 CC1(CCC(=O)CC1)O[13CH3] 7a_100012184276_200025704644 [0,1,0,0,0,1|2,0,0]=4 2770 B10R1.473 COC1(CCC(=O)CC1)C 34a_100012184276_200000210301 [0,1,0,0,0,1|2,0,0]=4 2771 B10R1.473 COC1(CCC(=O)CC1)C 7a_100012184276_200000210301 [0,1,0,0,0,1|2,0,0]=4 2772 B10R1.2 CCN1CCNC(=O)C1C 2230a_100000750721_100000210202 [0,1,0,0,0,1|2,0,0]=4 2773 B10R1.2 CCN1CCNC(=O)C1C 269982a_100000750721_100000204670 [0,1,0,0,0,1|2,0,0]=4 2774 B10R1.2 CCN1CCNC(=O)C1C 34a_100000750721_100000210202 [0,1,0,0,0,1|2,0,0]=4 2775 B10R1.10 CCCN1CCNC(=O)C1 2230a_100000184651_100000210303 [0,1,0,0,0,1|2,0,0]=4 2776 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [0,1,0,0,0,1|2,0,0]=4 2777 B10R1.10 CCNC1CCNC(=O)C1 2230a_100016994916_100000210202 [0,1,0,0,0,1|1,0,0]=3 2778 B10R1.10 CCNC1CCNC(=O)C1 34a_100016994916_100000210202 [0,1,0,0,0,1|1,0,0]=3 2779 B10R1.10 CCOC1C=C(CCC1)C 34a_100011218613_100000210202 [0,1,0,0,0,1|2,0,0]=4 2780 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [0,1,0,0,0,1|1,0,0]=3 2781 B10R1.10 CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210202 [0,1,0,0,0,1|1,0,0]=3 2782 B10R1.10 COCC1CCCC(=O)N1 34a_200000102386_200000210301 [0,1,0,0,0,1|1,0,0]=3 2783 B10R1.10 COCC1CCNC(=O)C1 34a_100009886756_200000210301 [0,1,0,0,0,1|1,0,0]=3 2784 B10R1.10 COCC1COCC(=O)N1 34a_200000101122_200000210301 [0,1,0,0,0,1|1,0,0]=3 2785 B10R1.10 COCN1CCNC(=O)C1 2230a_100000184651_100000766300 [0,1,0,0,0,1|2,0,0]=4 2786 B10R1.10 COCN1CCOC(=O)C1 2230a_100000131268_100000766300 [0,1,0,0,0,1|2,0,0]=4 2787 B10R1.10 CSCN1CCNC(=O)C1 2230a_100000184651_100011218213 [0,1,0,0,0,1|2,0,0]=4 2788 B10R1.10 CSCN1CCOC(=O)C1 2230a_100000131268_100011218213 [0,1,0,0,0,1|2,0,0]=4 2789 B10R1.10 O=C1CC(CCN1)NCF 34a_100016994916_100015361967 [0,1,0,0,0,1|2,0,0]=4 2790 B10R1.10 O=C1CCCC(C1)OCF 34a_100012613340_100015361967 [0,1,0,0,0,1|2,0,0]=4 2791 B10R1.10 O=C1CN(CCN1)CCF 2230a_100000184651_100011217306 [0,1,0,0,0,1|2,0,0]=4 2792 B10R1.10 O=C1CN(CCN1)CCO 2230a_100000184651_100000211926 [0,1,0,0,0,1|2,0,0]=4 2793 B10R1.10 O=C1CN(CCO1)CCF 2230a_100000131268_100011217306 [0,1,0,0,0,1|2,0,0]=4 2794 B10R1.10 O=C1CN(CCO1)CCO 2230a_100000131268_100000211926 [0,1,0,0,0,1|2,0,0]=4 2795 B10R1.10 O=C1C[C@@H](CCN1)OCF 34a_100015189427_100015361967 [0,1,0,0,0,1|2,0,0]=4 2796 B10R1.10 [13CH3]OCC1CCCC(=O)N1 34a_200000102386_200025704644 [0,1,0,0,0,1|1,0,0]=3 2797 B10R1.10 [13CH3]OCC1CCNC(=O)C1 34a_100009886756_200025704644 [0,1,0,0,0,1|1,0,0]=3 2798 B10R1.10 [13CH3]OCC1COCC(=O)N1 34a_200000101122_200025704644 [0,1,0,0,0,1|1,0,0]=3 2799 B10R1.113 CC(=O)C1CCNC(=O)C1 1458a_100000132800_200000210301 [0,1,0,0,0,1|1,0,1]=4 2800 B10R1.113 CC(=O)C1CSCC(=O)N1 1458a_100000045068_200000210301 [0,1,0,0,0,1|1,0,1]=4 2801 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [0,1,0,0,0,1|1,0,1]=4 2802 B10R1.113 CC(C)N1CCNC(=O)C1 2230a_100000184651_100000210206 [0,1,0,0,0,1|2,0,0]=4 2803 B10R1.113 CC(C)N1CCOC(=O)C1 2230a_100000131268_100000210206 [0,1,0,0,0,1|2,0,0]=4 2804 B10R1.113 [13CH3]C(=O)C1CCNC(=O)C1 1458a_100000132800_200025704644 [0,1,0,0,0,1|1,0,1]=4 2805 B10R1.113 [13CH3]C(=O)C1CSCC(=O)N1 1458a_100000045068_200025704644 [0,1,0,0,0,1|1,0,1]=4 2806 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [0,1,0,0,0,1|1,0,1]=4 2807 B10R1.14 CCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210202 [0,2,0,0,0,0|1,0,0]=3 2808 B10R1.14 CCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210202 [0,2,0,0,0,0|2,0,0]=4 2809 B10R1.14 CCC(=O)C1CNC(=O)N1 1458a_100000033324_100000210202 [0,2,0,0,0,0|2,0,0]=4 2810 B10R1.14 CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210202 [0,2,0,0,0,0|0,0,0]=2 2811 B10R1.14 CCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000210202 [0,2,0,0,0,0|2,0,0]=4 2812 B10R1.14 CNC(=O)C1CCC(=O)N1 240690a_100102657272_100000210400 [0,2,0,0,0,0|1,0,1]=4 2813 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 11a_106832991635_100009814974 [0,2,0,0,0,0|0,0,1]=3 2814 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 1626a_100102657272_100009814974 [0,2,0,0,0,0|0,0,1]=3 2815 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 240690a_100102657272_100009814974 [0,2,0,0,0,0|0,0,1]=3 2816 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 527a_100102657272_100009814974 [0,2,0,0,0,0|0,0,1]=3 2817 B10R1.14 O=C1CCC(N1)C(=O)CF 1458a_100000210400_100015361967 [0,2,0,0,0,0|1,0,1]=4 2818 B10R1.14 O=C1CC[C@H](O1)C(=O)CF 1458a_100009814974_100015361967 [0,2,0,0,0,0|0,0,1]=3 2819 B10R1.16 C#CCNC1COC(=O)O1 34a_100000212058_100000032252 [0,2,0,0,0,0|1,0,1]=4 2820 B10R1.16 C#CCOC1CCC(=O)C1 34a_100012614533_100000184674 [0,2,0,0,0,0|1,0,1]=4 2821 B10R1.16 C#CCOC1COC(=O)O1 34a_100000210247_100000032252 [0,2,0,0,0,0|1,0,1]=4 2822 B10R1.16 C#CCSC1COC(=O)O1 62a_100000038162_100000032252 [0,2,0,0,0,0|1,0,1]=4 2823 B10R1.16 C=CCOC1CCC(=O)C1 34a_100012614533_100015514636 [0,2,0,0,0,0|1,0,1]=4 2824 B10R1.16 C=CCOC1COC(=O)O1 34a_200000210373_100000032252 [0,2,0,0,0,0|1,0,1]=4 2825 B10R1.16 C=CCSC1COC(=O)O1 62a_100000210623_100000032252 [0,2,0,0,0,0|1,0,1]=4 2826 B10R1.16 CCCNC1CNC(=O)C1 2230a_100000697751_100000210303 [0,2,0,0,0,0|2,0,0]=4 2827 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [0,2,0,0,0,0|1,0,0]=3 2828 B10R1.16 CCCOC1CNC(=O)C1 34a_100000690082_100000210303 [0,2,0,0,0,0|2,0,0]=4 2829 B10R1.16 CCCOC1COC(=O)O1 34a_100000210258_100000032252 [0,2,0,0,0,0|1,0,0]=3 2830 B10R1.16 CCCSC1COC(=O)O1 62a_100000210303_100000032252 [0,2,0,0,0,0|1,0,0]=3 2831 B10R1.16 CCNCC1CNC(=O)C1 2230a_100016993742_100000210202 [0,2,0,0,0,0|2,0,0]=4 2832 B10R1.16 CCNCC1CNC(=O)C1 34a_100016993742_100000210202 [0,2,0,0,0,0|2,0,0]=4 2833 B10R1.16 CCNCC1CNC(=O)O1 2230a_100015525214_100000181169 [0,2,0,0,0,0|1,0,0]=3 2834 B10R1.16 CCNC[C@@H]1CCC(=O)N1 2230a_100015525214_100015189358 [0,2,0,0,0,0|1,0,0]=3 2835 B10R1.16 CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210202 [0,2,0,0,0,0|1,0,0]=3 2836 B10R1.16 CCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210202 [0,2,0,0,0,0|1,0,0]=3 2837 B10R1.16 CCNC[C@H]1COC(=O)N1 2230a_100015525214_100015307671 [0,2,0,0,0,0|2,0,0]=4 2838 B10R1.16 CCOCC1CCC(=O)N1 34a_100000737831_100000210202 [0,2,0,0,0,0|1,0,0]=3 2839 B10R1.16 CCOCC1CNC(=O)C1 34a_100016041077_100000210202 [0,2,0,0,0,0|2,0,0]=4 2840 B10R1.16 CCOCC1CNC(=O)O1 34a_100011315639_100000210202 [0,2,0,0,0,0|1,0,0]=3 2841 B10R1.16 CCOCC1CNC(=O)O1 34a_100121572206_100000181169 [0,2,0,0,0,0|1,0,0]=3 2842 B10R1.16 CCOCC1COC(=O)O1 34a_100121572206_100000073702 [0,2,0,0,0,0|1,0,0]=3 2843 B10R1.16 CCOC[C@H]1COC(=O)N1 34a_100121572206_100015307671 [0,2,0,0,0,0|2,0,0]=4 2844 B10R1.16 CCSCC1CNC(=O)O1 62a_100000181169_100000210202 [0,2,0,0,0,0|1,0,0]=3 2845 B10R1.16 CCSCC1CNC(=O)O1 62a_100000210202_100000181169 [0,2,0,0,0,0|1,0,0]=3 2846 B10R1.16 CCSCC1COC(=O)O1 62a_100000073702_100000210202 [0,2,0,0,0,0|1,0,0]=3 2847 B10R1.16 CCSCC1COC(=O)O1 62a_100000210202_100000073702 [0,2,0,0,0,0|1,0,0]=3 2848 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100000210202_100015189358 [0,2,0,0,0,0|1,0,0]=3 2849 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210202 [0,2,0,0,0,0|1,0,0]=3 2850 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100000210202_100015307671 [0,2,0,0,0,0|2,0,0]=4 2851 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100015307671_100000210202 [0,2,0,0,0,0|2,0,0]=4 2852 B10R1.16 CNCCC1COS(=O)O1 7a_106832991635_100009840081 [0,2,0,0,0,0|2,0,0]=4 2853 B10R1.16 COCNC1CNC(=O)C1 2230a_100000697751_100000766300 [0,2,0,0,0,0|2,0,0]=4 2854 B10R1.16 COCSC1COC(=O)O1 62a_100000766300_100000032252 [0,2,0,0,0,0|1,0,0]=3 2855 B10R1.16 CSCCC1COS(=O)O1 62a_200000210301_100009840081 [0,2,0,0,0,0|2,0,0]=4 2856 B10R1.16 CSCNC1CNC(=O)C1 2230a_100000697751_100011218213 [0,2,0,0,0,0|2,0,0]=4 2857 B10R1.16 CSCOC1CCC(=O)C1 34a_100012614533_100011218213 [0,2,0,0,0,0|1,0,0]=3 2858 B10R1.16 CSCOC1CNC(=O)C1 34a_100000690082_100011218213 [0,2,0,0,0,0|2,0,0]=4 2859 B10R1.16 CSCSC1COC(=O)O1 62a_100011218213_100000032252 [0,2,0,0,0,0|1,0,0]=3 2860 B10R1.16 N#CCSC1COC(=O)O1 62a_100011215382_100000032252 [0,2,0,0,0,0|1,0,1]=4 2861 B10R1.16 NCCOC1COC(=O)O1 34a_100000210304_100000032252 [0,2,0,0,0,0|1,0,0]=3 2862 B10R1.16 O=C1CC(CN1)CNCF 34a_100016993742_100015361967 [0,2,0,0,0,0|2,0,0]=4 2863 B10R1.16 O=C1CC(CN1)COCF 34a_100016041077_100015361967 [0,2,0,0,0,0|2,0,0]=4 2864 B10R1.16 O=C1CC(CN1)NCCF 2230a_100000697751_100011217306 [0,2,0,0,0,0|2,0,0]=4 2865 B10R1.16 O=C1CC(CN1)NCCO 2230a_100000697751_100000211926 [0,2,0,0,0,0|2,0,0]=4 2866 B10R1.16 O=C1CC(CN1)OCCF 34a_100000690082_100011217306 [0,2,0,0,0,0|2,0,0]=4 2867 B10R1.16 O=C1CC(CN1)OCCO 34a_100000690082_100000211926 [0,2,0,0,0,0|2,0,0]=4 2868 B10R1.16 O=C1CCC(C1)OCCF 34a_100012614533_100011217306 [0,2,0,0,0,0|1,0,0]=3 2869 B10R1.16 O=C1CCC(C1)OCCO 34a_100012614533_100000211926 [0,2,0,0,0,0|1,0,0]=3 2870 B10R1.16 O=C1CCC(N1)COCF 34a_100000737831_100015361967 [0,2,0,0,0,0|1,0,0]=3 2871 B10R1.16 O=C1CC[C@@H](N1)CNCF 34a_100015423886_100015361967 [0,2,0,0,0,0|1,0,0]=3 2872 B10R1.16 O=C1CC[C@H](N1)CSCF 62a_100015189358_100015361967 [0,2,0,0,0,0|1,0,0]=3 2873 B10R1.16 O=C1CC[C@H](N1)CSCF 62a_100015361967_100015189358 [0,2,0,0,0,0|1,0,0]=3 2874 B10R1.16 O=C1NCC(O1)COCF 34a_100011315639_100015361967 [0,2,0,0,0,0|1,0,0]=3 2875 B10R1.16 O=C1NCC(O1)CSCF 62a_100000181169_100015361967 [0,2,0,0,0,0|1,0,0]=3 2876 B10R1.16 O=C1NCC(O1)CSCF 62a_100015361967_100000181169 [0,2,0,0,0,0|1,0,0]=3 2877 B10R1.16 O=C1N[C@H](CO1)CSCF 62a_100015307671_100015361967 [0,2,0,0,0,0|2,0,0]=4 2878 B10R1.16 O=C1N[C@H](CO1)CSCF 62a_100015361967_100015307671 [0,2,0,0,0,0|2,0,0]=4 2879 B10R1.16 O=C1OCC(O1)CSCF 62a_100000073702_100015361967 [0,2,0,0,0,0|1,0,0]=3 2880 B10R1.16 O=C1OCC(O1)CSCF 62a_100015361967_100000073702 [0,2,0,0,0,0|1,0,0]=3 2881 B10R1.16 O=C1OCC(O1)NCCF 34a_100000724931_100000032252 [0,2,0,0,0,0|1,0,0]=3 2882 B10R1.16 O=C1OCC(O1)NCCO 34a_100016990907_100000032252 [0,2,0,0,0,0|1,0,0]=3 2883 B10R1.16 O=C1OCC(O1)OCCBr 34a_100000211926_100000032252 [0,2,0,0,0,0|1,0,0]=3 2884 B10R1.16 O=C1OCC(O1)SCCF 62a_100011217306_100000032252 [0,2,0,0,0,0|1,0,0]=3 2885 B10R1.16 O=C1OCC(O1)SCCO 62a_100000211926_100000032252 [0,2,0,0,0,0|1,0,0]=3 2886 B10R1.16 O=CCOC1CCC(=O)C1 34a_100012614533_200009817547 [0,2,0,0,0,0|1,0,1]=4 2887 B10R1.16 O=CCSC1COC(=O)O1 62a_200015260668_100000032252 [0,2,0,0,0,0|1,0,1]=4 2888 B10R1.16 [13CH3]SCCC1COS(=O)O1 62a_200025704644_100009840081 [0,2,0,0,0,0|2,0,0]=4 2889 B10R1.54 CC(=O)CC1CCC(=O)N1 1458a_100000026770_200000210301 [0,2,0,0,0,0|1,0,0]=3 2890 B10R1.54 CC(=O)CC1CNC(=O)O1 1458a_100000070787_100000181169 [0,2,0,0,0,0|1,0,0]=3 2891 B10R1.54 CC(=O)CC1COC(=O)O1 1458a_100000070787_100000073702 [0,2,0,0,0,0|1,0,0]=3 2892 B10R1.54 CC(=O)C[C@@H]1CCC(=O)N1 1458a_100000070787_100015189358 [0,2,0,0,0,0|1,0,0]=3 2893 B10R1.54 CC(=O)C[C@H]1COC(=O)N1 1458a_100000070787_100015307671 [0,2,0,0,0,0|2,0,0]=4 2894 B10R1.54 CC(C)NC1CNC(=O)C1 2230a_100000697751_100000210206 [0,2,0,0,0,0|2,0,0]=4 2895 B10R1.54 CC(C)NC1COC(=O)O1 34a_100138425928_100000032252 [0,2,0,0,0,0|1,0,0]=3 2896 B10R1.54 CC(C)OC1CCC(=O)C1 34a_100012614533_100000210206 [0,2,0,0,0,0|1,0,0]=3 2897 B10R1.54 CC(C)OC1CNC(=O)C1 34a_100000690082_100000210206 [0,2,0,0,0,0|2,0,0]=4 2898 B10R1.54 CC(C)OC1COC(=O)O1 34a_100000212225_100000032252 [0,2,0,0,0,0|1,0,0]=3 2899 B10R1.54 CC(C)SC1COC(=O)O1 62a_100000210206_100000032252 [0,2,0,0,0,0|1,0,0]=3 2900 B10R1.54 CN(C)CC1CNC(=O)O1 2230a_100102631434_100000181169 [0,2,0,0,0,0|1,0,0]=3 2901 B10R1.54 CN(C)CC1CNC(=O)O1 269982a_100102631434_100000181169 [0,2,0,0,0,0|1,0,0]=3 2902 B10R1.54 CN(C)CC1COC(=O)O1 269982a_100102631434_100000073702 [0,2,0,0,0,0|1,0,0]=3 2903 B10R1.54 CN(C)C[C@@H]1CCC(=O)N1 2230a_100102631434_100015189358 [0,2,0,0,0,0|1,0,0]=3 2904 B10R1.54 CN(C)C[C@@H]1CCC(=O)N1 269982a_100102631434_100015189358 [0,2,0,0,0,0|1,0,0]=3 2905 B10R1.54 CN(C)C[C@H]1COC(=O)N1 2230a_100102631434_100015307671 [0,2,0,0,0,0|2,0,0]=4 2906 B10R1.54 CN(C)C[C@H]1COC(=O)N1 269982a_100102631434_100015307671 [0,2,0,0,0,0|2,0,0]=4 2907 B10R1.54 [13CH3]C(=O)CC1CCC(=O)N1 1458a_100000026770_200025704644 [0,2,0,0,0,0|1,0,0]=3 2908 B10R1.95 CCNC1CCS(=O)(=O)C1 2230a_100000683523_100000210202 [0,2,0,0,0,0|2,0,0]=4 2909 B10R1.95 CCNC1CCS(=O)(=O)C1 34a_100000683523_100000210202 [0,2,0,0,0,0|2,0,0]=4 2910 B10R1.95 CCOC1CCS(=O)(=O)C1 34a_100000186101_100000210202 [0,2,0,0,0,0|2,0,0]=4 2911 B10R1.95 CCOC1CCS(=O)(=O)C1 7a_100000186101_100000210202 [0,2,0,0,0,0|2,0,0]=4 2912 B10R1.95 CNCC1CCS(=O)(=O)C1 2230a_100000737051_200000210301 [0,2,0,0,0,0|2,0,0]=4 2913 B10R1.95 CNCC1CCS(=O)(=O)C1 34a_100000737051_200000210301 [0,2,0,0,0,0|2,0,0]=4 2914 B10R1.95 [13CH3]NCC1CCS(=O)(=O)C1 2230a_100000737051_200025704644 [0,2,0,0,0,0|2,0,0]=4 2915 B10R1.95 [13CH3]NCC1CCS(=O)(=O)C1 34a_100000737051_200025704644 [0,2,0,0,0,0|2,0,0]=4 2916 B10R1.131 CCNC1C=C(C(=O)O1)C 2230a_100015525214_200009893386 [0,2,0,0,0,0|0,0,2]=4 2917 B10R1.131 CCNC1CC(=O)N(C1)C 2230a_100000748898_100000210202 [0,2,0,0,0,0|2,0,0]=4 2918 B10R1.131 CCNC1CC(=O)N(C1)C 34a_100000748898_100000210202 [0,2,0,0,0,0|2,0,0]=4 2919 B10R1.131 CCSC1C=C(C(=O)O1)C 62a_100000210202_200009893386 [0,2,0,0,0,0|0,0,2]=4 2920 B10R1.131 CCSC1C=C(C(=O)O1)C 62a_200009893386_100000210202 [0,2,0,0,0,0|0,0,2]=4 2921 B10R1.131 CN1CC(CC1=O)CO[13CH3] 34a_100015185614_200025704644 [0,2,0,0,0,0|2,0,0]=4 2922 B10R1.131 COCC1CC(=O)N(C1)C 34a_100015185614_200000210301 [0,2,0,0,0,0|2,0,0]=4 2923 B10R1.194 CC(=O)[C@H]1CCC(=O)N1C 1458a_100010979499_200000210301 [0,2,0,0,0,0|1,0,1]=4 2924 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)[13CH3] 1458a_100010979499_200025704644 [0,2,0,0,0,0|1,0,1]=4 2925 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100015343762 [0,0,1,1,0,0|2,0,0]=4 2926 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100103153847 [0,0,1,1,0,0|2,0,0]=4 2927 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100015343762 [0,0,1,1,0,0|2,0,0]=4 2928 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100015343762 [0,0,1,1,0,0|2,0,0]=4 2929 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100015343762 [0,0,1,1,0,0|2,0,0]=4 2930 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100103153847 [0,0,1,1,0,0|2,0,0]=4 2931 B8R1.34 CC(=O)C=C1CCC1 1458a_100000686340_200000210301 [0,0,1,1,0,0|1,0,1]=4 2932 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [0,0,1,1,0,0|1,0,0]=3 2933 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [0,0,1,1,0,0|1,0,0]=3 2934 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [0,0,1,1,0,0|2,0,0]=4 2935 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [0,0,1,1,0,0|2,0,0]=4 2936 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [0,0,1,1,0,0|2,0,0]=4 2937 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [0,0,1,1,0,0|1,0,0]=3 2938 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [0,0,1,1,0,0|1,0,0]=3 2939 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [0,0,1,1,0,0|1,0,0]=3 2940 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [0,0,1,1,0,0|1,0,0]=3 2941 B8R1.34 CC(=O)NC1COC1 11a_100016991112_100015343762 [0,0,1,1,0,0|2,0,0]=4 2942 B8R1.34 CC(=O)NC1COC1 1626a_100016991112_100015343762 [0,0,1,1,0,0|2,0,0]=4 2943 B8R1.34 CC(=O)NC1COC1 240690a_100016991112_100015343762 [0,0,1,1,0,0|2,0,0]=4 2944 B8R1.34 CC(=O)NC1COC1 527a_100016991112_100103153847 [0,0,1,1,0,0|2,0,0]=4 2945 B8R1.34 CC(=O)NC1CSC1 11a_100016994217_100015343762 [0,0,1,1,0,0|2,0,0]=4 2946 B8R1.34 CC(=O)NC1CSC1 1626a_100016994217_100015343762 [0,0,1,1,0,0|2,0,0]=4 2947 B8R1.34 CC(=O)NC1CSC1 240690a_100016994217_100015343762 [0,0,1,1,0,0|2,0,0]=4 2948 B8R1.34 CC(=O)NC1CSC1 527a_100016994217_100103153847 [0,0,1,1,0,0|2,0,0]=4 2949 B8R1.34 CC(C)OC1CCC1 34a_100000212225_100000749161 [0,0,1,1,0,0|1,0,1]=4 2950 B8R1.34 CC(C)OC1CCC1 34a_100000748187_100000210206 [0,0,1,1,0,0|1,0,1]=4 2951 B8R1.34 [13CH3]C(=O)C=C1CCC1 1458a_100000686340_200025704644 [0,0,1,1,0,0|1,0,1]=4 2952 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [0,0,1,1,0,0|1,0,0]=3 2953 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [0,0,1,1,0,0|2,0,0]=4 2954 B8R1.42 CC(=O)CC1(CC1)C 1458a_100000112800_200000210301 [0,0,1,1,0,0|1,0,0]=3 2955 B8R1.42 CC(=O)CC1(CO1)C 1458a_100000070787_100000760498 [0,0,1,1,0,0|2,0,0]=4 2956 B8R1.42 CC(=O)NC1(CC1)C 11a_100000757604_100015343762 [0,0,1,1,0,0|1,0,0]=3 2957 B8R1.42 CC(=O)NC1(CC1)C 1626a_100000757604_100015343762 [0,0,1,1,0,0|1,0,0]=3 2958 B8R1.42 CC(=O)NC1(CC1)C 240690a_100000757604_100015343762 [0,0,1,1,0,0|1,0,0]=3 2959 B8R1.42 CC(=O)NC1(CC1)C 527a_100000757604_100103153847 [0,0,1,1,0,0|1,0,0]=3 2960 B8R1.42 CC(C)OC1(CC1)C 7a_100011725673_100000210206 [0,0,1,1,0,0|1,0,1]=4 2961 B8R1.42 CC1(CC1)CC(=O)[13CH3] 1458a_100000112800_200025704644 [0,0,1,1,0,0|1,0,0]=3 2962 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [0,0,1,1,0,0|1,0,0]=3 2963 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [0,0,1,1,0,0|1,0,0]=3 2964 B8R1.3 CN1CCC(CC1)O 2230a_100025773856_200000210301 [0,0,1,1,0,0|2,0,0]=4 2965 B8R1.3 CN1CCC(CC1)O 269982a_100025773856_200000210301 [0,0,1,1,0,0|2,0,0]=4 2966 B8R1.3 [13CH3]N1CCC(CC1)O 2230a_100025773856_200025704644 [0,0,1,1,0,0|2,0,0]=4 2967 B8R1.3 [13CH3]N1CCC(CC1)O 269982a_100025773856_200025704644 [0,0,1,1,0,0|2,0,0]=4 2968 B8R1.10 CCCOC1CCC1 34a_100000210258_100000749161 [0,0,1,1,0,0|1,0,1]=4 2969 B8R1.10 CCCOC1CCC1 34a_100000748187_100000210303 [0,0,1,1,0,0|1,0,1]=4 2970 B8R1.10 O=CCNC1CCC1 2230a_100000749019_200015260668 [0,0,1,1,0,0|2,0,0]=4 2971 B8R1.10 O=CCNC1CCC1 34a_100000749019_200009817547 [0,0,1,1,0,0|2,0,0]=4 2972 B8R1.10 O=CCOC1CCC1 34a_100000748187_200009817547 [0,0,1,1,0,0|2,0,0]=4 2973 B8R1.10 O=CCSC1CCC1 62a_200015260668_100000749161 [0,0,1,1,0,0|2,0,0]=4 2974 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [0,0,1,1,0,0|1,0,0]=3 2975 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [0,0,1,1,0,0|1,0,0]=3 2976 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [0,0,1,1,0,0|2,0,0]=4 2977 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [0,0,1,1,0,0|2,0,0]=4 2978 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [0,0,1,1,0,0|2,0,0]=4 2979 B8R1.38 CCC(=O)N1CCC1 11a_100000754969_100000210414 [0,0,1,1,0,0|1,0,0]=3 2980 B8R1.38 CCC(=O)N1CCC1 240690a_100000754969_100000210414 [0,0,1,1,0,0|1,0,0]=3 2981 B8R1.38 CCC(=O)N1CCC1 527a_100000754969_100000210414 [0,0,1,1,0,0|1,0,0]=3 2982 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [0,0,1,1,0,0|2,0,0]=4 2983 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [0,0,1,1,0,0|2,0,0]=4 2984 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [0,0,1,1,0,0|2,0,0]=4 2985 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [0,0,1,1,0,0|2,0,0]=4 2986 B8R1.38 CNC(=O)N1CCC1 2708a_100102657272_100000754969 [0,0,1,1,0,0|2,0,0]=4 2987 B8R1.38 CNC(=O)N1CCC1 273464a_100102657272_100000754969 [0,0,1,1,0,0|2,0,0]=4 2988 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [0,0,1,1,0,0|2,0,0]=4 2989 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [0,0,1,1,0,0|2,0,0]=4 2990 B8R1.38 O=C(CO)N1CCC1 240690a_100000754969_100000210174 [0,0,1,1,0,0|2,0,0]=4 2991 B8R1.38 O=C(CO)N1CCC1 527a_100000754969_100000210174 [0,0,1,1,0,0|2,0,0]=4 2992 B8R1.41 CC1(CC1)NCC=O 2230a_100000757604_200015260668 [0,0,1,1,0,0|2,0,0]=4 2993 B8R1.41 CC1(CC1)OCC=O 7a_100011725673_200015260668 [0,0,1,1,0,0|2,0,0]=4 2994 B8R1.41 CCCOC1(CC1)C 7a_100011725673_100000210303 [0,0,1,1,0,0|1,0,1]=4 2995 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [0,0,1,1,0,0|1,0,0]=3 2996 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [0,0,1,1,0,0|1,0,0]=3 2997 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [0,0,1,1,0,0|2,0,0]=4 2998 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [0,0,1,1,0,0|2,0,0]=4 2999 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [0,0,1,1,0,0|2,0,0]=4 3000 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [0,0,1,1,0,0|2,0,0]=4 3001 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [0,0,1,1,0,0|2,0,0]=4 3002 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [0,0,1,1,0,0|2,0,0]=4 3003 B8R1.35 NC(=O)CNC1CC1 34a_100000212008_100000187820 [0,0,1,1,0,0|2,0,0]=4 3004 B8R1.35 NC(=O)CSC1CC1 62a_100000747473_100000211595 [0,0,1,1,0,0|2,0,0]=4 3005 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [0,0,1,1,0,0|1,0,0]=3 3006 B8R1.35 O=C([O-])CNC1CC1 34a_100000212008_100020667443 [0,0,1,1,0,0|1,0,1]=4 3007 B8R1.35 O=C([O-])CSC1CC1 62a_100020667443_100000211595 [0,0,1,1,0,0|1,0,1]=4 3008 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [0,0,1,1,0,0|1,0,0]=3 3009 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [0,0,1,0,1,0|0,0,2]=4 3010 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,0,1,0,1,0|0,0,2]=4 3011 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,0,1,0,1,0|0,0,2]=4 3012 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [0,0,1,0,1,0|2,0,0]=4 3013 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,0,1,0,1,0|0,0,2]=4 3014 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,0,1,0,1,0|0,0,2]=4 3015 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [0,0,1,0,1,0|1,0,1]=4 3016 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [0,0,1,0,1,0|1,0,1]=4 3017 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,0,1,0,1,0|1,0,0]=3 3018 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,0,1,0,1,0|1,0,0]=3 3019 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,0,1,0,1,0|1,0,0]=3 3020 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,0,1,0,1,0|2,0,0]=4 3021 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [0,0,1,0,1,0|1,0,1]=4 3022 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,0,1,0,1,0|2,0,0]=4 3023 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,0,1,0,1,0|2,0,0]=4 3024 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,0,1,0,1,0|0,0,0]=2 3025 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,0,1,0,1,0|0,0,0]=2 3026 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,0,1,0,1,0|0,0,0]=2 3027 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [0,0,1,0,1,0|2,0,0]=4 3028 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [0,0,1,0,1,0|2,0,0]=4 3029 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [0,0,1,0,1,0|2,0,0]=4 3030 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [0,0,1,0,1,0|2,0,0]=4 3031 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [0,0,1,0,1,0|2,0,0]=4 3032 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [0,0,1,0,1,0|2,0,0]=4 3033 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,0,1,0,1,0|1,0,0]=3 3034 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,0,1,0,1,0|1,0,0]=3 3035 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,0,1,0,1,0|1,0,0]=3 3036 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,0,1,0,1,0|1,0,0]=3 3037 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,0,1,0,1,0|1,0,0]=3 3038 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,0,1,0,1,0|1,0,0]=3 3039 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,0,1,0,1,0|1,0,0]=3 3040 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,0,1,0,1,0|1,0,0]=3 3041 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,0,1,0,1,0|2,0,0]=4 3042 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,0,1,0,1,0|2,0,0]=4 3043 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,0,1,0,1,0|2,0,0]=4 3044 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,0,1,0,1,0|2,0,0]=4 3045 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,0,1,0,1,0|2,0,0]=4 3046 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,0,1,0,1,0|2,0,0]=4 3047 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,0,1,0,1,0|1,0,0]=3 3048 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,0,1,0,1,0|1,0,0]=3 3049 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,0,1,0,1,0|2,0,0]=4 3050 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,0,1,0,1,0|1,0,0]=3 3051 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,0,1,0,1,0|2,0,0]=4 3052 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,0,1,0,1,0|2,0,0]=4 3053 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,0,1,0,1,0|2,0,0]=4 3054 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,0,1,0,1,0|1,0,0]=3 3055 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,0,1,0,1,0|1,0,0]=3 3056 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,0,1,0,1,0|1,0,0]=3 3057 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,0,1,0,1,0|2,0,0]=4 3058 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,0,1,0,1,0|2,0,0]=4 3059 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,0,1,0,1,0|1,0,0]=3 3060 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,0,1,0,1,0|2,0,0]=4 3061 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,0,1,0,1,0|2,0,0]=4 3062 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,0,1,0,1,0|2,0,0]=4 3063 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,0,1,0,1,0|2,0,0]=4 3064 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,0,1,0,1,0|2,0,0]=4 3065 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,0,1,0,1,0|2,0,0]=4 3066 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,0,1,0,1,0|2,0,0]=4 3067 B6R1.6 CCN1CCC1 269982a_100000754969_100000204670 [1,0,0,0,1,0|1,0,1]=4 3068 B6R1.6 CNC1CCC1 2230a_100000749019_200000210301 [1,0,0,0,1,0|1,0,1]=4 3069 B6R1.6 CNC1CCC1 270004a_106832991635_100000241760 [1,0,0,0,1,0|1,0,1]=4 3070 B6R1.6 CNC1CCC1 34a_100000749019_200000210301 [1,0,0,0,1,0|1,0,1]=4 3071 B6R1.6 CNC1CCC1 34a_100102657272_100000749161 [1,0,0,0,1,0|1,0,1]=4 3072 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [1,0,0,0,1,0|1,0,1]=4 3073 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [1,0,0,0,1,0|1,0,1]=4 3074 B6R1.6 CSC1CCC1 62a_200000210301_100000749161 [1,0,0,0,1,0|1,0,1]=4 3075 B6R1.6 [13CH3]NC1CCC1 2230a_100000749019_200025704644 [1,0,0,0,1,0|1,0,1]=4 3076 B6R1.6 [13CH3]NC1CCC1 34a_100000749019_200025704644 [1,0,0,0,1,0|1,0,1]=4 3077 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [1,0,0,0,1,0|1,0,1]=4 3078 B6R1.6 [13CH3]SC1CCC1 62a_200025704644_100000749161 [1,0,0,0,1,0|1,0,1]=4 3079 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [1,0,0,0,1,0|2,0,0]=4 3080 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [1,0,0,0,1,0|2,0,0]=4 3081 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [1,0,0,0,1,0|2,0,0]=4 3082 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [1,0,0,0,1,0|2,0,0]=4 3083 B10R1.197 CCN1CCNC(=O)CC1 2230a_100000698595_100000210202 [0,0,0,0,0,2|2,0,0]=4 3084 B10R1.197 CCN1CCNC(=O)CC1 269982a_100000698595_100000204670 [0,0,0,0,0,2|2,0,0]=4 3085 B10R1.162 CCN1CCCNC(=O)C1 2230a_100015190381_100000210202 [0,0,0,0,0,2|2,0,0]=4