0 B7R1.1 CCN1CCCC1 2230a_100000188435_100000210202 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.1 CCN1CCCC1 269982a_100000188435_100000204670 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.1 CCN1CCSC1 2230a_100011215254_100000210202 [0,0,0,0,0,0|4,0,0]=4 3 B7R1.1 CCN1CCSC1 269982a_100011215254_100000204670 [0,0,0,0,0,0|4,0,0]=4 4 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.1 CNC1CCOC1 2230a_106832991635_100000731011 [0,0,0,0,0,0|4,0,0]=4 11 B7R1.1 CNC1CCOC1 270004a_106832991635_100000752484 [0,0,0,0,0,0|4,0,0]=4 12 B7R1.1 CNC1CCOC1 34a_100102657272_100000690089 [0,0,0,0,0,0|4,0,0]=4 13 B7R1.1 CNC1CCOC1 7a_106832991635_100000731011 [0,0,0,0,0,0|4,0,0]=4 14 B7R1.1 CNC1CCSC1 270004a_106832991635_100000212027 [0,0,0,0,0,0|4,0,0]=4 15 B7R1.1 CN[C@@H]1CCOC1 2230a_200015188469_200000210301 [0,0,0,0,0,0|4,0,0]=4 16 B7R1.1 CN[C@H]1CCOC1 2230a_100015188467_200000210301 [0,0,0,0,0,0|4,0,0]=4 17 B7R1.1 CN[C@H]1CCOC1 34a_100015188467_200000210301 [0,0,0,0,0,0|4,0,0]=4 18 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [0,0,0,0,0,0|3,0,0]=3 21 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [0,0,0,0,0,0|2,0,0]=2 22 B7R1.1 COC1CCOC1 34a_100138415774_100000690089 [0,0,0,0,0,0|4,0,0]=4 23 B7R1.1 COC1CCSC1 7a_100011232664_200000210301 [0,0,0,0,0,0|4,0,0]=4 24 B7R1.1 CO[C@H]1CCOC1 34a_100000717292_200000210301 [0,0,0,0,0,0|4,0,0]=4 25 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [0,0,0,0,0,0|3,0,0]=3 26 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [0,0,0,0,0,0|3,0,0]=3 27 B7R1.1 CSC1CCOC1 62a_200000210301_100000690089 [0,0,0,0,0,0|4,0,0]=4 28 B7R1.1 FCN1CCCC1 269982a_100000188435_100015361967 [0,0,0,0,0,0|3,0,0]=3 29 B7R1.1 FCN1CCSC1 269982a_100011215254_100015361967 [0,0,0,0,0,0|4,0,0]=4 30 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [0,0,0,0,0,0|3,0,0]=3 31 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [0,0,0,0,0,0|3,0,0]=3 32 B7R1.1 [13CH3]N[C@@H]1CCOC1 2230a_200015188469_200025704644 [0,0,0,0,0,0|4,0,0]=4 33 B7R1.1 [13CH3]N[C@H]1CCOC1 2230a_100015188467_200025704644 [0,0,0,0,0,0|4,0,0]=4 34 B7R1.1 [13CH3]N[C@H]1CCOC1 34a_100015188467_200025704644 [0,0,0,0,0,0|4,0,0]=4 35 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [0,0,0,0,0,0|3,0,0]=3 36 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [0,0,0,0,0,0|3,0,0]=3 37 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [0,0,0,0,0,0|2,0,0]=2 38 B7R1.1 [13CH3]OC1CCSC1 7a_100011232664_200025704644 [0,0,0,0,0,0|4,0,0]=4 39 B7R1.1 [13CH3]O[C@H]1CCOC1 34a_100000717292_200025704644 [0,0,0,0,0,0|4,0,0]=4 40 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [0,0,0,0,0,0|3,0,0]=3 41 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [0,0,0,0,0,0|3,0,0]=3 42 B7R1.1 [13CH3]SC1CCOC1 62a_200025704644_100000690089 [0,0,0,0,0,0|4,0,0]=4 43 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [1,0,0,0,0,0|2,0,0]=3 44 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [1,0,0,0,0,0|2,0,0]=3 45 B6R1.2 CN1CCSC1 2230a_100011215254_200000210301 [1,0,0,0,0,0|3,0,0]=4 46 B6R1.2 CN1CCSC1 269982a_100011215254_200000210301 [1,0,0,0,0,0|3,0,0]=4 47 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [1,0,0,0,0,0|2,0,0]=3 48 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [1,0,0,0,0,0|2,0,0]=3 49 B6R1.2 [13CH3]N1CCSC1 2230a_100011215254_200025704644 [1,0,0,0,0,0|3,0,0]=4 50 B6R1.2 [13CH3]N1CCSC1 269982a_100011215254_200025704644 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.1 CC1CCC(C1)O[13CH3] 34a_100000698185_200025704644 [0,1,0,0,0,0|3,0,0]=4 52 B8R1.1 CCN1CCC(C1)O 2230a_100011215560_100000210202 [0,1,0,0,0,0|3,0,0]=4 53 B8R1.1 CCN1CCC(C1)O 269982a_100011215560_100000204670 [0,1,0,0,0,0|3,0,0]=4 54 B8R1.1 CCN1CC[C@@H](C1)F 2230a_100015203821_100000210202 [0,1,0,0,0,0|3,0,0]=4 55 B8R1.1 CCN1CC[C@@H](C1)F 269982a_100015203821_100000204670 [0,1,0,0,0,0|3,0,0]=4 56 B8R1.1 CCN1CC[C@@H](C1)F 34a_100015203821_100000210202 [0,1,0,0,0,0|3,0,0]=4 57 B8R1.1 CCN1CC[C@H](C1)C 2230a_100016987628_100000210202 [0,1,0,0,0,0|3,0,0]=4 58 B8R1.1 CCN1CC[C@H](C1)C 269982a_100016987628_100000204670 [0,1,0,0,0,0|3,0,0]=4 59 B8R1.1 CCN1CC[C@H](C1)C 34a_100016987628_100000210202 [0,1,0,0,0,0|3,0,0]=4 60 B8R1.1 CN1CCC(C1)CO 2230a_100000748654_200000210301 [0,1,0,0,0,0|2,0,0]=3 61 B8R1.1 CN1CCC(C1)CO 269982a_100000748654_200000210301 [0,1,0,0,0,0|2,0,0]=3 62 B8R1.1 CN1CCC(C1)CO 34a_100000748654_200000210301 [0,1,0,0,0,0|2,0,0]=3 63 B8R1.1 CNC1CCC(C1)C 270004a_106832991635_100011215218 [0,1,0,0,0,0|3,0,0]=4 64 B8R1.1 CNC1CCC(C1)O 270004a_106832991635_100012614533 [0,1,0,0,0,0|3,0,0]=4 65 B8R1.1 CN[C@H]1CC[C@H](C1)O 2230a_100015195300_200000210301 [0,1,0,0,0,0|3,0,0]=4 66 B8R1.1 COC1CCC(C1)C 34a_100000698185_200000210301 [0,1,0,0,0,0|3,0,0]=4 67 B8R1.1 C[C@@H]1CCN(C1)CF 269982a_100016987628_100015361967 [0,1,0,0,0,0|3,0,0]=4 68 B8R1.1 C[C@@H]1CCN(C1)CF 34a_100016987628_100015361967 [0,1,0,0,0,0|3,0,0]=4 69 B8R1.1 FCN1CC[C@@H](C1)F 269982a_100015203821_100015361967 [0,1,0,0,0,0|3,0,0]=4 70 B8R1.1 FCN1CC[C@@H](C1)F 34a_100015203821_100015361967 [0,1,0,0,0,0|3,0,0]=4 71 B8R1.1 OC1CCN(C1)CF 269982a_100011215560_100015361967 [0,1,0,0,0,0|3,0,0]=4 72 B8R1.1 [13CH3]N1CCC(C1)CO 2230a_100000748654_200025704644 [0,1,0,0,0,0|2,0,0]=3 73 B8R1.1 [13CH3]N1CCC(C1)CO 269982a_100000748654_200025704644 [0,1,0,0,0,0|2,0,0]=3 74 B8R1.1 [13CH3]N1CCC(C1)CO 34a_100000748654_200025704644 [0,1,0,0,0,0|2,0,0]=3 75 B8R1.1 [13CH3]N[C@H]1CC[C@H](C1)O 2230a_100015195300_200025704644 [0,1,0,0,0,0|3,0,0]=4 76 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,1,0,0,0,0|1,0,2]=4 77 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,1,0,0,0,0|1,0,2]=4 78 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,1,0,0,0,0|0,1,2]=4 79 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [0,1,0,0,0,0|0,0,2]=3 80 B8R1.7 CC(C)N1CCCC1 2230a_100000188435_100000210206 [0,1,0,0,0,0|3,0,0]=4 81 B8R1.7 CC(C)N1CCCC1 269982a_100000188435_100000210206 [0,1,0,0,0,0|3,0,0]=4 82 B8R1.7 CN(C)C1CCCC1 2230a_100000207505_200000210301 [0,1,0,0,0,0|3,0,0]=4 83 B8R1.7 CN(C)C1CCCC1 2230a_100102631434_100000179811 [0,1,0,0,0,0|3,0,0]=4 84 B8R1.7 CN(C)C1CCCC1 269982a_100000207505_200000210301 [0,1,0,0,0,0|3,0,0]=4 85 B8R1.7 CN(C)C1CCCC1 269982a_100102631434_100000179811 [0,1,0,0,0,0|3,0,0]=4 86 B8R1.7 CN(C)C1CCCC1 270004a_100102631434_100000210133 [0,1,0,0,0,0|3,0,0]=4 87 B8R1.7 CN(C)C1CCCC1 34a_100000207505_200000210301 [0,1,0,0,0,0|3,0,0]=4 88 B8R1.7 CN([13CH3])C1CCCC1 2230a_100000207505_200025704644 [0,1,0,0,0,0|3,0,0]=4 89 B8R1.7 CN([13CH3])C1CCCC1 269982a_100000207505_200025704644 [0,1,0,0,0,0|3,0,0]=4 90 B8R1.7 CN([13CH3])C1CCCC1 34a_100000207505_200025704644 [0,1,0,0,0,0|3,0,0]=4 91 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,1,0,0,0,0|1,0,2]=4 92 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,1,0,0,0,0|0,1,2]=4 93 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [0,1,0,0,0,0|0,0,2]=3 94 B8R1.8 C#CCN1CCCC1 2230a_100000188435_100000038162 [0,1,0,0,0,0|3,0,0]=4 95 B8R1.8 C=CCN1CCCC1 2230a_100000188435_100000210623 [0,1,0,0,0,0|3,0,0]=4 96 B8R1.8 C=CCN1CCCC1 269982a_100000188435_100000210623 [0,1,0,0,0,0|3,0,0]=4 97 B8R1.8 CCCN1CCCC1 2230a_100000188435_100000210303 [0,1,0,0,0,0|3,0,0]=4 98 B8R1.8 CCCN1CCCC1 269982a_100000188435_100000210303 [0,1,0,0,0,0|3,0,0]=4 99 B8R1.8 CCNC1CCCC1 2230a_100000211070_100000210202 [0,1,0,0,0,0|2,0,0]=3 100 B8R1.8 CCNC1CCCC1 2230a_100015525214_100000179811 [0,1,0,0,0,0|2,0,0]=3 101 B8R1.8 CCNC1CCCC1 270004a_100015525214_100000210133 [0,1,0,0,0,0|2,0,0]=3 102 B8R1.8 CCNC1CCCC1 34a_100000211070_100000210202 [0,1,0,0,0,0|2,0,0]=3 103 B8R1.8 CCNC1CCOC1 2230a_100015525214_100000731011 [0,1,0,0,0,0|3,0,0]=4 104 B8R1.8 CCNC1CCOC1 270004a_100015525214_100000752484 [0,1,0,0,0,0|3,0,0]=4 105 B8R1.8 CCNC1CCSC1 270004a_100015525214_100000212027 [0,1,0,0,0,0|3,0,0]=4 106 B8R1.8 CCN[C@@H]1CCOC1 2230a_200015188469_100000210202 [0,1,0,0,0,0|3,0,0]=4 107 B8R1.8 CCN[C@H]1CCOC1 2230a_100015188467_100000210202 [0,1,0,0,0,0|3,0,0]=4 108 B8R1.8 CCN[C@H]1CCOC1 34a_100015188467_100000210202 [0,1,0,0,0,0|3,0,0]=4 109 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [0,1,0,0,0,0|2,0,0]=3 110 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [0,1,0,0,0,0|2,0,0]=3 111 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [0,1,0,0,0,0|2,0,0]=3 112 B8R1.8 CCOC1CCCO1 34a_100000085407_100000210202 [0,1,0,0,0,0|1,0,0]=2 113 B8R1.8 CCOC1CCOC1 34a_100121572206_100000690089 [0,1,0,0,0,0|3,0,0]=4 114 B8R1.8 CCOC1CCSC1 7a_100011232664_100000210202 [0,1,0,0,0,0|3,0,0]=4 115 B8R1.8 CCO[C@H]1CCOC1 34a_100000717292_100000210202 [0,1,0,0,0,0|3,0,0]=4 116 B8R1.8 CCSC1CCCC1 62a_100000210202_100000179811 [0,1,0,0,0,0|2,0,0]=3 117 B8R1.8 CCSC1CCCC1 62a_100011217020_100000210202 [0,1,0,0,0,0|2,0,0]=3 118 B8R1.8 CCSC1CCOC1 62a_100000210202_100000690089 [0,1,0,0,0,0|3,0,0]=4 119 B8R1.8 CNCC1CCCC1 2230a_100000737975_200000210301 [0,1,0,0,0,0|2,0,0]=3 120 B8R1.8 CNCC1CCCC1 2230a_106832991635_100000740388 [0,1,0,0,0,0|2,0,0]=3 121 B8R1.8 CNCC1CCCC1 269862a_106832991636_100000746403 [0,1,0,0,0,0|2,0,0]=3 122 B8R1.8 CNCC1CCCC1 34a_100000737975_200000210301 [0,1,0,0,0,0|2,0,0]=3 123 B8R1.8 CNCC1CCCC1 34a_100102657272_100000740388 [0,1,0,0,0,0|2,0,0]=3 124 B8R1.8 CNCC1CCCC1 7a_106832991635_100000740388 [0,1,0,0,0,0|2,0,0]=3 125 B8R1.8 CNCC1CCCO1 2230a_106832991635_100000203698 [0,1,0,0,0,0|1,0,0]=2 126 B8R1.8 CNCC1CCCO1 7a_106832991635_100000203698 [0,1,0,0,0,0|1,0,0]=2 127 B8R1.8 CNCC1CCOC1 2230a_100000737293_200000210301 [0,1,0,0,0,0|3,0,0]=4 128 B8R1.8 CNCC1CCOC1 2230a_106832991635_100000702531 [0,1,0,0,0,0|3,0,0]=4 129 B8R1.8 CNCC1CCOC1 34a_100000737293_200000210301 [0,1,0,0,0,0|3,0,0]=4 130 B8R1.8 CNCC1CCOC1 34a_100102657272_100011261433 [0,1,0,0,0,0|3,0,0]=4 131 B8R1.8 CNCC1CCOC1 7a_106832991635_100000702531 [0,1,0,0,0,0|3,0,0]=4 132 B8R1.8 CNCC1OCCO1 2230a_100000036311_200000210301 [0,1,0,0,0,0|2,0,0]=3 133 B8R1.8 CNCC1OCCO1 2230a_106832991635_100000755774 [0,1,0,0,0,0|2,0,0]=3 134 B8R1.8 CNCC1OCCO1 34a_100000036311_200000210301 [0,1,0,0,0,0|2,0,0]=3 135 B8R1.8 CNCC1OCCO1 34a_100102657272_100000755774 [0,1,0,0,0,0|2,0,0]=3 136 B8R1.8 CNCC1OCCO1 7a_106832991635_100000755774 [0,1,0,0,0,0|2,0,0]=3 137 B8R1.8 CNC[C@@H]1CCCO1 2230a_100020590478_200000210301 [0,1,0,0,0,0|1,0,0]=2 138 B8R1.8 CNC[C@@H]1CCCO1 34a_100020590478_200000210301 [0,1,0,0,0,0|1,0,0]=2 139 B8R1.8 COCC1=NCCN1 34a_100138415774_100000737910 [0,1,0,0,0,0|2,0,1]=4 140 B8R1.8 COCC1CC=CC1 34a_100000688395_200000210301 [0,1,0,0,0,0|1,0,2]=4 141 B8R1.8 COCC1CCCC1 34a_100000742336_200000210301 [0,1,0,0,0,0|1,0,0]=2 142 B8R1.8 COCC1CCCC1 34a_100138415774_100000740388 [0,1,0,0,0,0|1,0,0]=2 143 B8R1.8 COCC1CCCC1 7a_100000742336_200000210301 [0,1,0,0,0,0|1,0,0]=2 144 B8R1.8 COCC1CCCO1 34a_100000210270_200000210301 [0,1,0,0,0,0|0,0,0]=1 145 B8R1.8 COCC1CCCO1 7a_100000210270_200000210301 [0,1,0,0,0,0|0,0,0]=1 146 B8R1.8 COCC1CCNC1 34a_100000748654_200000210301 [0,1,0,0,0,0|2,0,0]=3 147 B8R1.8 COCC1CCOC1 34a_100000740260_200000210301 [0,1,0,0,0,0|2,0,0]=3 148 B8R1.8 COCC1CCOC1 34a_100138415774_100011261433 [0,1,0,0,0,0|2,0,0]=3 149 B8R1.8 COCC1COCO1 34a_100011216627_200000210301 [0,1,0,0,0,0|1,0,0]=2 150 B8R1.8 COCC1OCCO1 34a_100000087154_200000210301 [0,1,0,0,0,0|1,0,0]=2 151 B8R1.8 COCC1OCCO1 34a_100138415774_100000755774 [0,1,0,0,0,0|1,0,0]=2 152 B8R1.8 COCN1CCCC1 2230a_100000188435_100000766300 [0,1,0,0,0,0|2,0,0]=3 153 B8R1.8 COCN1CCCC1 269982a_100000188435_100000766300 [0,1,0,0,0,0|2,0,0]=3 154 B8R1.8 COCN1CCSC1 2230a_100011215254_100000766300 [0,1,0,0,0,0|3,0,0]=4 155 B8R1.8 COCN1CCSC1 269982a_100011215254_100000766300 [0,1,0,0,0,0|3,0,0]=4 156 B8R1.8 COC[C@H]1CCCN1 34a_100000745186_200000210301 [0,1,0,0,0,0|1,0,0]=2 157 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [0,1,0,0,0,0|1,1,0]=3 158 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [0,1,0,0,0,0|1,1,0]=3 159 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [0,1,0,0,0,0|0,1,0]=2 160 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [0,1,0,0,0,0|0,1,0]=2 161 B8R1.8 CSCC1CCOC1 62a_100000702531_200000210301 [0,1,0,0,0,0|2,1,0]=4 162 B8R1.8 CSCC1CCOC1 62a_200000210301_100000702531 [0,1,0,0,0,0|2,1,0]=4 163 B8R1.8 CSCC1OCCO1 62a_100000755774_200000210301 [0,1,0,0,0,0|1,1,0]=3 164 B8R1.8 CSCC1OCCO1 62a_200000210301_100000755774 [0,1,0,0,0,0|1,1,0]=3 165 B8R1.8 CSCN1CCCC1 2230a_100000188435_100011218213 [0,1,0,0,0,0|2,1,0]=4 166 B8R1.8 CSCN1CCCC1 269982a_100000188435_100011218213 [0,1,0,0,0,0|2,1,0]=4 167 B8R1.8 FCCN1CCCC1 2230a_100000188435_100011217306 [0,1,0,0,0,0|3,0,0]=4 168 B8R1.8 FCCN1CCCC1 269982a_100000188435_100011217306 [0,1,0,0,0,0|3,0,0]=4 169 B8R1.8 FCNC1CCCC1 34a_100000211070_100015361967 [0,1,0,0,0,0|2,0,0]=3 170 B8R1.8 FCN[C@H]1CCOC1 34a_100015188467_100015361967 [0,1,0,0,0,0|3,0,0]=4 171 B8R1.8 FCOC1CCCC1 34a_100000210269_100015361967 [0,1,0,0,0,0|2,0,0]=3 172 B8R1.8 FCOC1CCCC1 7a_100000210269_100015361967 [0,1,0,0,0,0|2,0,0]=3 173 B8R1.8 FCOC1CCCO1 34a_100000085407_100015361967 [0,1,0,0,0,0|1,0,0]=2 174 B8R1.8 FCOC1CCSC1 7a_100011232664_100015361967 [0,1,0,0,0,0|3,0,0]=4 175 B8R1.8 FCO[C@H]1CCOC1 34a_100000717292_100015361967 [0,1,0,0,0,0|3,0,0]=4 176 B8R1.8 FCSC1CCCC1 62a_100011217020_100015361967 [0,1,0,0,0,0|2,0,0]=3 177 B8R1.8 FCSC1CCCC1 62a_100015361967_100000179811 [0,1,0,0,0,0|2,0,0]=3 178 B8R1.8 FCSC1CCOC1 62a_100015361967_100000690089 [0,1,0,0,0,0|3,0,0]=4 179 B8R1.8 N#CCN1CCCC1 2230a_100000188435_100011215382 [0,1,0,0,0,0|3,0,0]=4 180 B8R1.8 N#CCN1CCCC1 269982a_100000188435_100011214920 [0,1,0,0,0,0|3,0,0]=4 181 B8R1.8 O=CCN1CCCC1 2230a_100000188435_200015260668 [0,1,0,0,0,0|2,0,1]=4 182 B8R1.8 O=CCN1CCCC1 269982a_100000188435_200015260668 [0,1,0,0,0,0|2,0,1]=4 183 B8R1.8 OCCN1CCCC1 2230a_100000188435_100000211926 [0,1,0,0,0,0|2,0,0]=3 184 B8R1.8 OCCN1CCCC1 269982a_100000188435_100000211926 [0,1,0,0,0,0|2,0,0]=3 185 B8R1.8 OCCN1CCSC1 2230a_100011215254_100000211926 [0,1,0,0,0,0|3,0,0]=4 186 B8R1.8 OCCN1CCSC1 269982a_100011215254_100000211926 [0,1,0,0,0,0|3,0,0]=4 187 B8R1.8 [13CH3]NCC1CCCC1 2230a_100000737975_200025704644 [0,1,0,0,0,0|2,0,0]=3 188 B8R1.8 [13CH3]NCC1CCCC1 34a_100000737975_200025704644 [0,1,0,0,0,0|2,0,0]=3 189 B8R1.8 [13CH3]NCC1CCOC1 2230a_100000737293_200025704644 [0,1,0,0,0,0|3,0,0]=4 190 B8R1.8 [13CH3]NCC1CCOC1 34a_100000737293_200025704644 [0,1,0,0,0,0|3,0,0]=4 191 B8R1.8 [13CH3]NCC1OCCO1 2230a_100000036311_200025704644 [0,1,0,0,0,0|2,0,0]=3 192 B8R1.8 [13CH3]NCC1OCCO1 34a_100000036311_200025704644 [0,1,0,0,0,0|2,0,0]=3 193 B8R1.8 [13CH3]NC[C@@H]1CCCO1 2230a_100020590478_200025704644 [0,1,0,0,0,0|1,0,0]=2 194 B8R1.8 [13CH3]NC[C@@H]1CCCO1 34a_100020590478_200025704644 [0,1,0,0,0,0|1,0,0]=2 195 B8R1.8 [13CH3]OCC1CC=CC1 34a_100000688395_200025704644 [0,1,0,0,0,0|1,0,2]=4 196 B8R1.8 [13CH3]OCC1CCCC1 34a_100000742336_200025704644 [0,1,0,0,0,0|1,0,0]=2 197 B8R1.8 [13CH3]OCC1CCCC1 7a_100000742336_200025704644 [0,1,0,0,0,0|1,0,0]=2 198 B8R1.8 [13CH3]OCC1CCCO1 34a_100000210270_200025704644 [0,1,0,0,0,0|0,0,0]=1 199 B8R1.8 [13CH3]OCC1CCCO1 7a_100000210270_200025704644 [0,1,0,0,0,0|0,0,0]=1 200 B8R1.8 [13CH3]OCC1CCNC1 34a_100000748654_200025704644 [0,1,0,0,0,0|2,0,0]=3 201 B8R1.8 [13CH3]OCC1CCOC1 34a_100000740260_200025704644 [0,1,0,0,0,0|2,0,0]=3 202 B8R1.8 [13CH3]OCC1COCO1 34a_100011216627_200025704644 [0,1,0,0,0,0|1,0,0]=2 203 B8R1.8 [13CH3]OCC1OCCO1 34a_100000087154_200025704644 [0,1,0,0,0,0|1,0,0]=2 204 B8R1.8 [13CH3]OC[C@H]1CCCN1 34a_100000745186_200025704644 [0,1,0,0,0,0|1,0,0]=2 205 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [0,1,0,0,0,0|1,1,0]=3 206 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [0,1,0,0,0,0|1,1,0]=3 207 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [0,1,0,0,0,0|0,1,0]=2 208 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [0,1,0,0,0,0|0,1,0]=2 209 B8R1.8 [13CH3]SCC1CCOC1 62a_100000702531_200025704644 [0,1,0,0,0,0|2,1,0]=4 210 B8R1.8 [13CH3]SCC1CCOC1 62a_200025704644_100000702531 [0,1,0,0,0,0|2,1,0]=4 211 B8R1.8 [13CH3]SCC1OCCO1 62a_100000755774_200025704644 [0,1,0,0,0,0|1,1,0]=3 212 B8R1.8 [13CH3]SCC1OCCO1 62a_200025704644_100000755774 [0,1,0,0,0,0|1,1,0]=3 213 B8R1.11 CC1CCCC1O[13CH3] 34a_100011216460_200025704644 [0,1,0,0,0,0|3,0,0]=4 214 B8R1.11 CC1CCCC1O[13CH3] 7a_100011216460_200025704644 [0,1,0,0,0,0|3,0,0]=4 215 B8R1.11 CCC1CCCN1C 2230a_100000754278_200000210301 [0,1,0,0,0,0|2,0,0]=3 216 B8R1.11 CCC1CCCN1C 269982a_100000754278_200000210301 [0,1,0,0,0,0|2,0,0]=3 217 B8R1.11 CCC1CCCN1C 34a_100000754278_200000210301 [0,1,0,0,0,0|2,0,0]=3 218 B8R1.11 CCC1CCCN1[13CH3] 2230a_100000754278_200025704644 [0,1,0,0,0,0|2,0,0]=3 219 B8R1.11 CCC1CCCN1[13CH3] 269982a_100000754278_200025704644 [0,1,0,0,0,0|2,0,0]=3 220 B8R1.11 CCC1CCCN1[13CH3] 34a_100000754278_200025704644 [0,1,0,0,0,0|2,0,0]=3 221 B8R1.11 CCN1CCC[C@@H]1C 2230a_100020605311_100000210202 [0,1,0,0,0,0|3,0,0]=4 222 B8R1.11 CCN1CCC[C@@H]1C 269982a_100020605311_100000204670 [0,1,0,0,0,0|3,0,0]=4 223 B8R1.11 CCN1CCC[C@H]1C 2230a_100015189458_100000210202 [0,1,0,0,0,0|3,0,0]=4 224 B8R1.11 CCN1CCC[C@H]1C 269982a_100015189458_100000204670 [0,1,0,0,0,0|3,0,0]=4 225 B8R1.11 CCN1CCC[C@H]1C 34a_100015189458_100000210202 [0,1,0,0,0,0|3,0,0]=4 226 B8R1.11 CN1CCCC1C#N 2230a_100000701862_200000210301 [0,1,0,0,0,0|2,0,1]=4 227 B8R1.11 CN1CCC[C@@H]1C#N 2230a_106645074975_200000210301 [0,1,0,0,0,0|2,0,1]=4 228 B8R1.11 CN1CCC[C@@H]1C#N 269982a_106645074975_200000210301 [0,1,0,0,0,0|2,0,1]=4 229 B8R1.11 CN1CCC[C@@H]1CO 2230a_100000745186_200000210301 [0,1,0,0,0,0|1,0,0]=2 230 B8R1.11 CN1CCC[C@@H]1CO 269982a_100000745186_200000210301 [0,1,0,0,0,0|1,0,0]=2 231 B8R1.11 CN1CCC[C@@H]1CO 34a_100000745186_200000210301 [0,1,0,0,0,0|1,0,0]=2 232 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [0,1,0,0,0,0|3,0,0]=4 233 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [0,1,0,0,0,0|3,0,0]=4 234 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [0,1,0,0,0,0|3,0,0]=4 235 B8R1.11 CNC1CCCC1C 269862a_106832991636_100000752053 [0,1,0,0,0,0|3,0,0]=4 236 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [0,1,0,0,0,0|3,0,0]=4 237 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [0,1,0,0,0,0|3,0,0]=4 238 B8R1.11 COC1CCCC1C 34a_100011216460_200000210301 [0,1,0,0,0,0|3,0,0]=4 239 B8R1.11 COC1CCCC1C 7a_100011216460_200000210301 [0,1,0,0,0,0|3,0,0]=4 240 B8R1.11 CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200000210301 [0,1,0,0,0,0|3,0,0]=4 241 B8R1.11 CO[C@H]1CCC[C@@H]1N 34a_100000748460_200000210301 [0,1,0,0,0,0|3,0,0]=4 242 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [0,1,0,0,0,0|3,0,0]=4 243 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [0,1,0,0,0,0|3,0,0]=4 244 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200000210301_200016002552 [0,1,0,0,0,0|3,0,0]=4 245 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200016002552_200000210301 [0,1,0,0,0,0|3,0,0]=4 246 B8R1.11 C[C@@H]1CCCN1CF 269982a_100015189458_100015361967 [0,1,0,0,0,0|3,0,0]=4 247 B8R1.11 C[C@@H]1CCCN1CF 34a_100015189458_100015361967 [0,1,0,0,0,0|3,0,0]=4 248 B8R1.11 C[C@H]1CCCN1CF 269982a_100020605311_100015361967 [0,1,0,0,0,0|3,0,0]=4 249 B8R1.11 [13CH3]N1CCCC1C#N 2230a_100000701862_200025704644 [0,1,0,0,0,0|2,0,1]=4 250 B8R1.11 [13CH3]N1CCC[C@@H]1C#N 2230a_106645074975_200025704644 [0,1,0,0,0,0|2,0,1]=4 251 B8R1.11 [13CH3]N1CCC[C@@H]1C#N 269982a_106645074975_200025704644 [0,1,0,0,0,0|2,0,1]=4 252 B8R1.11 [13CH3]N1CCC[C@@H]1CO 2230a_100000745186_200025704644 [0,1,0,0,0,0|1,0,0]=2 253 B8R1.11 [13CH3]N1CCC[C@@H]1CO 269982a_100000745186_200025704644 [0,1,0,0,0,0|1,0,0]=2 254 B8R1.11 [13CH3]N1CCC[C@@H]1CO 34a_100000745186_200025704644 [0,1,0,0,0,0|1,0,0]=2 255 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [0,1,0,0,0,0|3,0,0]=4 256 B8R1.11 [13CH3]O[C@@H]1CCC[C@H]1Cl 34a_200016002552_200025704644 [0,1,0,0,0,0|3,0,0]=4 257 B8R1.11 [13CH3]O[C@H]1CCC[C@@H]1N 34a_100000748460_200025704644 [0,1,0,0,0,0|3,0,0]=4 258 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [0,1,0,0,0,0|3,0,0]=4 259 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [0,1,0,0,0,0|3,0,0]=4 260 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200016002552_200025704644 [0,1,0,0,0,0|3,0,0]=4 261 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200025704644_200016002552 [0,1,0,0,0,0|3,0,0]=4 262 B8R1.52 CC1(CCCC1)O[13CH3] 34a_100000751722_200025704644 [0,1,0,0,0,0|3,0,0]=4 263 B8R1.52 CC1(CCCC1)O[13CH3] 7a_100000751722_200025704644 [0,1,0,0,0,0|3,0,0]=4 264 B8R1.52 COC1(CCCC1)C 34a_100000751722_200000210301 [0,1,0,0,0,0|3,0,0]=4 265 B8R1.52 COC1(CCCC1)C 7a_100000751722_200000210301 [0,1,0,0,0,0|3,0,0]=4 266 B6R0.1 C#CC(C)NCC 2230a_100000707721_100000210202 [0,0,1,0,0,0|2,0,1]=4 267 B6R0.1 C#CC(C)NCC 34a_100000707721_100000210202 [0,0,1,0,0,0|2,0,1]=4 268 B6R0.1 C#CC(C)OCC 34a_100121572206_200000035995 [0,0,1,0,0,0|1,0,1]=3 269 B6R0.1 C#CC(C)SCC 62a_200000035995_100000210202 [0,0,1,0,0,0|1,1,1]=4 270 B6R0.1 C#C[C@@H](C)OCC 34a_100009815206_100000210202 [0,0,1,0,0,0|1,0,1]=3 271 B6R0.1 C#C[C@@H](C)OCC 7a_100009815206_100000210202 [0,0,1,0,0,0|1,0,1]=3 272 B6R0.1 C#C[C@@H](C)OCF 34a_100009815206_100015361967 [0,0,1,0,0,0|2,0,1]=4 273 B6R0.1 C#C[C@@H](C)OCF 7a_100009815206_100015361967 [0,0,1,0,0,0|2,0,1]=4 274 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [0,0,1,0,0,0|1,0,1]=3 275 B6R0.1 C=CC(C)OCF 34a_100000695699_100015361967 [0,0,1,0,0,0|2,0,1]=4 276 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [0,0,1,0,0,0|1,1,1]=4 277 B6R0.1 C=CC(O)CNC 2230a_106832991635_100000730141 [0,0,1,0,0,0|2,0,1]=4 278 B6R0.1 C=CC(O)CNC 34a_100102657272_100000730141 [0,0,1,0,0,0|2,0,1]=4 279 B6R0.1 C=CC(O)CNC 7a_106832991635_100000730141 [0,0,1,0,0,0|2,0,1]=4 280 B6R0.1 C=CC(O)COC 34a_100138415774_100000730141 [0,0,1,0,0,0|2,0,1]=4 281 B6R0.1 C=CC(O)CSC 62a_100000730141_200000210301 [0,0,1,0,0,0|2,0,1]=4 282 B6R0.1 C=CC(O)CSC 62a_200000210301_100000730141 [0,0,1,0,0,0|2,0,1]=4 283 B6R0.1 C=CC(O)CS[13CH3] 62a_100000730141_200025704644 [0,0,1,0,0,0|2,0,1]=4 284 B6R0.1 C=CC(O)CS[13CH3] 62a_200025704644_100000730141 [0,0,1,0,0,0|2,0,1]=4 285 B6R0.1 CC(C#N)OCF 34a_100011218135_100015361967 [0,0,1,0,0,0|2,0,1]=4 286 B6R0.1 CC(CF)OCF 34a_100016041109_100015361967 [0,0,1,0,0,0|2,0,0]=3 287 B6R0.1 CC(CF)OCF 7a_100016041109_100015361967 [0,0,1,0,0,0|2,0,0]=3 288 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [0,0,1,0,0,0|3,0,0]=4 289 B6R0.1 CC(CN)OCF 34a_100000210904_100015361967 [0,0,1,0,0,0|2,0,0]=3 290 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [0,0,1,0,0,0|2,0,0]=3 291 B6R0.1 CC(CO)SCF 62a_100012180447_100015361967 [0,0,1,0,0,0|1,1,0]=3 292 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [0,0,1,0,0,0|3,0,0]=4 293 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [0,0,1,0,0,0|3,0,0]=4 294 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [0,0,1,0,0,0|3,0,0]=4 295 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [0,0,1,0,0,0|3,0,0]=4 296 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [0,0,1,0,0,0|3,0,0]=4 297 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [0,0,1,0,0,0|3,0,0]=4 298 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [0,0,1,0,0,0|3,0,0]=4 299 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [0,0,1,0,0,0|3,0,0]=4 300 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [0,0,1,0,0,0|3,0,0]=4 301 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [0,0,1,0,0,0|3,0,0]=4 302 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [0,0,1,0,0,0|3,0,0]=4 303 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [0,0,1,0,0,0|2,0,0]=3 304 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [0,0,1,0,0,0|2,1,0]=4 305 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [0,0,1,0,0,0|2,1,0]=4 306 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [0,0,1,0,0,0|2,0,0]=3 307 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [0,0,1,0,0,0|2,0,0]=3 308 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [0,0,1,0,0,0|2,0,0]=3 309 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [0,0,1,0,0,0|2,0,0]=3 310 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [0,0,1,0,0,0|2,0,0]=3 311 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [0,0,1,0,0,0|2,0,0]=3 312 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [0,0,1,0,0,0|2,0,0]=3 313 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [0,0,1,0,0,0|2,0,0]=3 314 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [0,0,1,0,0,0|2,0,0]=3 315 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [0,0,1,0,0,0|2,0,0]=3 316 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,0,1,0,0,0|1,0,2]=4 317 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,0,1,0,0,0|1,0,2]=4 318 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,0,1,0,0,0|1,0,2]=4 319 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,0,1,0,0,0|0,0,2]=3 320 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [0,0,1,0,0,0|3,0,0]=4 321 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [0,0,1,0,0,0|3,0,0]=4 322 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [0,0,1,0,0,0|3,0,0]=4 323 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [0,0,1,0,0,0|3,0,0]=4 324 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [0,0,1,0,0,0|3,0,0]=4 325 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [0,0,1,0,0,0|3,0,0]=4 326 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [0,0,1,0,0,0|3,0,0]=4 327 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [0,0,1,0,0,0|3,0,0]=4 328 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [0,0,1,0,0,0|3,0,0]=4 329 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [0,0,1,0,0,0|3,0,0]=4 330 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [0,0,1,0,0,0|3,0,0]=4 331 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [0,0,1,0,0,0|3,0,0]=4 332 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [0,0,1,0,0,0|3,0,0]=4 333 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [0,0,1,0,0,0|3,0,0]=4 334 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [0,0,1,0,0,0|3,0,0]=4 335 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [0,0,1,0,0,0|3,0,0]=4 336 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [0,0,1,0,0,0|3,0,0]=4 337 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [0,0,1,0,0,0|3,0,0]=4 338 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [0,0,1,0,0,0|3,0,0]=4 339 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [0,0,1,0,0,0|3,0,0]=4 340 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [0,0,1,0,0,0|3,0,0]=4 341 B6R0.1 CCCN(C)CF 269982a_100000747261_100015361967 [0,0,1,0,0,0|3,0,0]=4 342 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [0,0,1,0,0,0|3,0,0]=4 343 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [0,0,1,0,0,0|3,0,0]=4 344 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,0,1,0,0,0|1,0,2]=4 345 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,0,1,0,0,0|1,0,2]=4 346 B6R0.1 CCNC(C)C#N 2230a_100000737613_100000210202 [0,0,1,0,0,0|2,0,1]=4 347 B6R0.1 CCNC(C)C#N 2230a_100015525214_100000184139 [0,0,1,0,0,0|2,0,1]=4 348 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,0,1,0,0,0|2,0,0]=3 349 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,0,1,0,0,0|2,0,0]=3 350 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [0,0,1,0,0,0|1,0,0]=2 351 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [0,0,1,0,0,0|1,0,0]=2 352 B6R0.1 CCOC(C)C#N 34a_100011218135_100000210202 [0,0,1,0,0,0|1,0,1]=3 353 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,0,1,0,0,0|1,0,0]=2 354 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,0,1,0,0,0|1,0,0]=2 355 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [0,0,1,0,0,0|1,0,0]=2 356 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [0,0,1,0,0,0|1,0,0]=2 357 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,0,1,0,0,0|1,0,0]=2 358 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [0,0,1,0,0,0|0,0,0]=1 359 B6R0.1 CCSC(C)C#N 62a_100000210202_100000703298 [0,0,1,0,0,0|1,1,1]=4 360 B6R0.1 CCSC(C)C#N 62a_100000703298_100000210202 [0,0,1,0,0,0|1,1,1]=4 361 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,0,1,0,0,0|1,1,0]=3 362 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,0,1,0,0,0|1,1,0]=3 363 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [0,0,1,0,0,0|0,1,0]=2 364 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [0,0,1,0,0,0|2,1,0]=4 365 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [0,0,1,0,0,0|2,1,0]=4 366 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [0,0,1,0,0,0|0,1,0]=2 367 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [0,0,1,0,0,0|0,1,0]=2 368 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [0,0,1,0,0,0|3,0,0]=4 369 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [0,0,1,0,0,0|3,0,0]=4 370 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [0,0,1,0,0,0|3,0,0]=4 371 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [0,0,1,0,0,0|3,0,0]=4 372 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [0,0,1,0,0,0|3,0,0]=4 373 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [0,0,1,0,0,0|3,0,0]=4 374 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [0,0,1,0,0,0|3,0,0]=4 375 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [0,0,1,0,0,0|3,0,0]=4 376 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [0,0,1,0,0,0|3,0,0]=4 377 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [0,0,1,0,0,0|3,0,0]=4 378 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [0,0,1,0,0,0|2,0,0]=3 379 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [0,0,1,0,0,0|1,0,0]=2 380 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [0,0,1,0,0,0|1,0,0]=2 381 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [0,0,1,0,0,0|1,0,0]=2 382 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [0,0,1,0,0,0|2,0,0]=3 383 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [0,0,1,0,0,0|2,0,0]=3 384 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [0,0,1,0,0,0|2,0,0]=3 385 B6R0.1 CNC[C@@H](F)CO 34a_100015665980_200000210301 [0,0,1,0,0,0|2,0,0]=3 386 B6R0.1 CNC[C@@H](O)CF 2230a_106832991635_100015614560 [0,0,1,0,0,0|2,0,0]=3 387 B6R0.1 CNC[C@@H](O)CF 34a_100102657272_100015614560 [0,0,1,0,0,0|2,0,0]=3 388 B6R0.1 CNC[C@@H](O)CF 7a_106832991635_100015614560 [0,0,1,0,0,0|2,0,0]=3 389 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [0,0,1,0,0,0|1,0,0]=2 390 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [0,0,1,0,0,0|1,0,0]=2 391 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [0,0,1,0,0,0|1,0,0]=2 392 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [0,0,1,0,0,0|1,0,0]=2 393 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [0,0,1,0,0,0|3,0,0]=4 394 B6R0.1 COCC(Cl)CCl 34a_100000033668_200000210301 [0,0,1,0,0,0|3,0,0]=4 395 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [0,0,1,0,0,0|1,0,0]=2 396 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [0,0,1,0,0,0|2,0,0]=3 397 B6R0.1 COC[C@@H](O)CF 34a_100138415774_100015614560 [0,0,1,0,0,0|2,0,0]=3 398 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [0,0,1,0,0,0|1,0,0]=2 399 B6R0.1 COC[C@H](F)CN 34a_100015665980_200000210301 [0,0,1,0,0,0|3,0,0]=4 400 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [0,0,1,0,0,0|1,0,0]=2 401 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [0,0,1,0,0,0|1,0,0]=2 402 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [0,0,1,0,0,0|2,0,0]=3 403 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [0,0,1,0,0,0|2,0,0]=3 404 B6R0.1 CSC[C@@H](O)CF 62a_100015614560_200000210301 [0,0,1,0,0,0|2,0,0]=3 405 B6R0.1 CSC[C@@H](O)CF 62a_200000210301_100015614560 [0,0,1,0,0,0|2,0,0]=3 406 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [0,0,1,0,0,0|1,0,0]=2 407 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [0,0,1,0,0,0|1,0,0]=2 408 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [0,0,1,0,0,0|2,0,0]=3 409 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [0,0,1,0,0,0|2,0,0]=3 410 B6R0.1 C[C@H](CO)SCF 62a_100015361967_100016084084 [0,0,1,0,0,0|1,1,0]=3 411 B6R0.1 C[C@H](CO)SCF 62a_100016084084_100015361967 [0,0,1,0,0,0|1,1,0]=3 412 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [0,0,1,0,0,0|1,0,2]=4 413 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [0,0,1,0,0,0|1,0,2]=4 414 B6R0.1 [13CH3]NC[C@@H](F)CO 34a_100015665980_200025704644 [0,0,1,0,0,0|2,0,0]=3 415 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [0,0,1,0,0,0|1,0,0]=2 416 B6R0.1 [13CH3]OCC(Cl)CCl 34a_100000033668_200025704644 [0,0,1,0,0,0|3,0,0]=4 417 B6R0.1 [13CH3]OC[C@H](F)CN 34a_100015665980_200025704644 [0,0,1,0,0,0|3,0,0]=4 418 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [0,0,1,0,0,0|1,0,0]=2 419 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [0,0,1,0,0,0|1,0,0]=2 420 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_100015614560_200025704644 [0,0,1,0,0,0|2,0,0]=3 421 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_200025704644_100015614560 [0,0,1,0,0,0|2,0,0]=3 422 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [0,0,1,0,0,0|1,0,0]=2 423 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [0,0,1,0,0,0|1,0,0]=2 424 B6R0.6 C#CCNCCC 34a_100000212058_100000210303 [0,0,1,0,0,0|2,0,1]=4 425 B6R0.6 C#CCNCCO 2230a_100016997473_100000038162 [0,0,1,0,0,0|1,0,2]=4 426 B6R0.6 C#CCNCCO 34a_100000212058_100000211926 [0,0,1,0,0,0|1,0,2]=4 427 B6R0.6 C#CCNCCO 34a_100016990907_100000184674 [0,0,1,0,0,0|1,0,2]=4 428 B6R0.6 C#CCOCCBr 34a_100000211926_100000184674 [0,0,1,0,0,0|1,0,2]=4 429 B6R0.6 C#CCOCCC 34a_100000210247_100000210303 [0,0,1,0,0,0|1,0,1]=3 430 B6R0.6 C#CCOCCC 34a_100000210258_100000184674 [0,0,1,0,0,0|1,0,1]=3 431 B6R0.6 C#CCOCCF 34a_100000210247_100011217306 [0,0,1,0,0,0|1,0,2]=4 432 B6R0.6 C#CCOCCN 34a_100000210304_100000184674 [0,0,1,0,0,0|1,0,2]=4 433 B6R0.6 C#CCOCCO 34a_100000210247_100000211926 [0,0,1,0,0,0|0,0,2]=3 434 B6R0.6 C#CCOCSC 34a_100000210247_100011218213 [0,0,1,0,0,0|2,0,1]=4 435 B6R0.6 C#CCSCCC 62a_100000038162_100000210303 [0,0,1,0,0,0|1,1,1]=4 436 B6R0.6 C#CCSCCO 62a_100000038162_100000211926 [0,0,1,0,0,0|0,1,2]=4 437 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [0,0,1,0,0,0|2,0,1]=4 438 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [0,0,1,0,0,0|1,0,2]=4 439 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [0,0,1,0,0,0|1,0,2]=4 440 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [0,0,1,0,0,0|1,0,2]=4 441 B6R0.6 C=CCOCCBr 34a_100000211926_100015514636 [0,0,1,0,0,0|1,0,2]=4 442 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [0,0,1,0,0,0|1,0,1]=3 443 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [0,0,1,0,0,0|1,0,1]=3 444 B6R0.6 C=CCOCCF 34a_200000210373_100011217306 [0,0,1,0,0,0|1,0,2]=4 445 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [0,0,1,0,0,0|1,0,2]=4 446 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [0,0,1,0,0,0|0,0,2]=3 447 B6R0.6 C=CCOCSC 34a_200000210373_100011218213 [0,0,1,0,0,0|2,0,1]=4 448 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [0,0,1,0,0,0|1,1,1]=4 449 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [0,0,1,0,0,0|1,1,1]=4 450 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [0,0,1,0,0,0|0,1,2]=4 451 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [0,0,1,0,0,0|0,1,2]=4 452 B6R0.6 CC=NNCCO 4a_100000210001_200000210099 [0,0,1,0,0,0|2,0,1]=4 453 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [0,0,1,0,0,0|3,0,0]=4 454 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [0,0,1,0,0,0|3,0,0]=4 455 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [0,0,1,0,0,0|3,0,0]=4 456 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [0,0,1,0,0,0|3,0,0]=4 457 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [0,0,1,0,0,0|3,0,0]=4 458 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [0,0,1,0,0,0|3,0,0]=4 459 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [0,0,1,0,0,0|3,0,0]=4 460 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [0,0,1,0,0,0|3,0,0]=4 461 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [0,0,1,0,0,0|3,0,0]=4 462 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [0,0,1,0,0,0|3,0,0]=4 463 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [0,0,1,0,0,0|3,0,0]=4 464 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [0,0,1,0,0,0|3,0,0]=4 465 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [0,0,1,0,0,0|3,0,0]=4 466 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [0,0,1,0,0,0|3,0,0]=4 467 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [0,0,1,0,0,0|3,0,0]=4 468 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [0,0,1,0,0,0|3,0,0]=4 469 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [0,0,1,0,0,0|3,0,0]=4 470 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [0,0,1,0,0,0|3,0,0]=4 471 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [0,0,1,0,0,0|3,0,0]=4 472 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [0,0,1,0,0,0|3,0,0]=4 473 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [0,0,1,0,0,0|3,0,0]=4 474 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [0,0,1,0,0,0|3,0,0]=4 475 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [0,0,1,0,0,0|3,0,0]=4 476 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [0,0,1,0,0,0|3,0,0]=4 477 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [0,0,1,0,0,0|3,0,0]=4 478 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [0,0,1,0,0,0|3,0,0]=4 479 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [0,0,1,0,0,0|3,0,0]=4 480 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [0,0,1,0,0,0|2,0,0]=3 481 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [0,0,1,0,0,0|1,0,0]=2 482 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [0,0,1,0,0,0|1,0,0]=2 483 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [0,0,1,0,0,0|0,0,2]=3 484 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [0,0,1,0,0,0|1,0,0]=2 485 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [0,0,1,0,0,0|1,0,0]=2 486 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [0,0,1,0,0,0|1,0,0]=2 487 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [0,0,1,0,0,0|1,0,0]=2 488 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [0,0,1,0,0,0|0,0,0]=1 489 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [0,0,1,0,0,0|2,0,0]=3 490 B6R0.6 CCCSCC#N 62a_100000210303_100011215382 [0,0,1,0,0,0|1,1,1]=4 491 B6R0.6 CCCSCC#N 62a_100011215382_100000210303 [0,0,1,0,0,0|1,1,1]=4 492 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [0,0,1,0,0,0|0,1,2]=4 493 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [0,0,1,0,0,0|0,1,2]=4 494 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [0,0,1,0,0,0|1,1,0]=3 495 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [0,0,1,0,0,0|1,1,0]=3 496 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [0,0,1,0,0,0|1,1,0]=3 497 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [0,0,1,0,0,0|0,1,0]=2 498 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [0,0,1,0,0,0|0,1,0]=2 499 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [0,0,1,0,0,0|2,1,0]=4 500 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [0,0,1,0,0,0|2,1,0]=4 501 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [0,0,1,0,0,0|2,1,0]=4 502 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [0,0,1,0,0,0|2,1,0]=4 503 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [0,0,1,0,0,0|3,0,0]=4 504 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [0,0,1,0,0,0|3,0,0]=4 505 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [0,0,1,0,0,0|3,0,0]=4 506 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [0,0,1,0,0,0|2,0,0]=3 507 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [0,0,1,0,0,0|3,0,0]=4 508 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [0,0,1,0,0,0|3,0,0]=4 509 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [0,0,1,0,0,0|3,0,0]=4 510 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [0,0,1,0,0,0|3,0,0]=4 511 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [0,0,1,0,0,0|3,0,0]=4 512 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [0,0,1,0,0,0|2,0,0]=3 513 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [0,0,1,0,0,0|3,0,0]=4 514 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [0,0,1,0,0,0|3,0,0]=4 515 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [0,0,1,0,0,0|2,0,0]=3 516 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [0,0,1,0,0,0|2,0,0]=3 517 B6R0.6 CNCC#CCO 2230a_106832991635_200000047223 [0,0,1,0,0,0|2,0,1]=4 518 B6R0.6 CNCC#CCO 34a_100102657272_200000047223 [0,0,1,0,0,0|2,0,1]=4 519 B6R0.6 CNCC#CCO 7a_106832991635_200000047223 [0,0,1,0,0,0|2,0,1]=4 520 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [0,0,1,0,0,0|3,0,0]=4 521 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [0,0,1,0,0,0|3,0,0]=4 522 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [0,0,1,0,0,0|3,0,0]=4 523 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [0,0,1,0,0,0|2,0,0]=3 524 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [0,0,1,0,0,0|2,0,0]=3 525 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [0,0,1,0,0,0|2,0,0]=3 526 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [0,0,1,0,0,0|2,0,0]=3 527 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [0,0,1,0,0,0|2,0,0]=3 528 B6R0.6 COCC#CCO 34a_100138415774_200000047223 [0,0,1,0,0,0|2,0,1]=4 529 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [0,0,1,0,0,0|3,0,0]=4 530 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [0,0,1,0,0,0|3,0,0]=4 531 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [0,0,1,0,0,0|3,0,0]=4 532 B6R0.6 COCCCCF 34a_100011995726_200000210301 [0,0,1,0,0,0|3,0,0]=4 533 B6R0.6 COCCCCF 34a_100138415774_100000729493 [0,0,1,0,0,0|3,0,0]=4 534 B6R0.6 COCCCCF 7a_100011995726_200000210301 [0,0,1,0,0,0|3,0,0]=4 535 B6R0.6 COCCCCI 34a_200012148704_200000210301 [0,0,1,0,0,0|3,0,0]=4 536 B6R0.6 COCCCCN 34a_100000750430_200000210301 [0,0,1,0,0,0|3,0,0]=4 537 B6R0.6 COCCCCO 34a_100138415774_100011216708 [0,0,1,0,0,0|2,0,0]=3 538 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [0,0,1,0,0,0|2,0,0]=3 539 B6R0.6 COCSCCF 62a_100000766300_100011217306 [0,0,1,0,0,0|2,1,0]=4 540 B6R0.6 COCSCCF 62a_100011217306_100000766300 [0,0,1,0,0,0|2,1,0]=4 541 B6R0.6 COCSCCO 62a_100000211926_100000766300 [0,0,1,0,0,0|1,1,0]=3 542 B6R0.6 COCSCCO 62a_100000766300_100000211926 [0,0,1,0,0,0|1,1,0]=3 543 B6R0.6 CSCC#CCO 62a_200000047223_200000210301 [0,0,1,0,0,0|2,0,1]=4 544 B6R0.6 CSCC#CCO 62a_200000210301_200000047223 [0,0,1,0,0,0|2,0,1]=4 545 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [0,0,1,0,0,0|3,0,0]=4 546 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [0,0,1,0,0,0|3,0,0]=4 547 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [0,0,1,0,0,0|2,0,0]=3 548 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [0,0,1,0,0,0|2,0,0]=3 549 B6R0.6 CSCNCCF 34a_100000724931_100011218213 [0,0,1,0,0,0|3,0,0]=4 550 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [0,0,1,0,0,0|2,0,0]=3 551 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [0,0,1,0,0,0|2,0,0]=3 552 B6R0.6 CSCOCCBr 34a_100000211926_100011218213 [0,0,1,0,0,0|2,0,0]=3 553 B6R0.6 CSCOCCN 34a_100000210304_100011218213 [0,0,1,0,0,0|2,0,0]=3 554 B6R0.6 CSCSCCF 62a_100011217306_100011218213 [0,0,1,0,0,0|2,1,0]=4 555 B6R0.6 CSCSCCF 62a_100011218213_100011217306 [0,0,1,0,0,0|2,1,0]=4 556 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [0,0,1,0,0,0|1,1,0]=3 557 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [0,0,1,0,0,0|1,1,0]=3 558 B6R0.6 FCCCNCF 34a_100015189416_100015361967 [0,0,1,0,0,0|3,0,0]=4 559 B6R0.6 FCCCOCF 34a_100000759539_100015361967 [0,0,1,0,0,0|3,0,0]=4 560 B6R0.6 FCCCSCF 62a_100011934791_100015361967 [0,0,1,0,0,0|3,0,0]=4 561 B6R0.6 FCCCSCF 62a_100015361967_100011934791 [0,0,1,0,0,0|3,0,0]=4 562 B6R0.6 FCCNCCF 34a_100000724931_100011217306 [0,0,1,0,0,0|3,0,0]=4 563 B6R0.6 FCCOCCBr 34a_100000211926_100011217306 [0,0,1,0,0,0|2,0,0]=3 564 B6R0.6 FCCSCCF 62a_100011217306_100011217306 [0,0,1,0,0,0|2,1,0]=4 565 B6R0.6 FCOCCCBr 34a_100011217188_100015361967 [0,0,1,0,0,0|3,0,0]=4 566 B6R0.6 FCOCCCCl 34a_100000230001_100015361967 [0,0,1,0,0,0|3,0,0]=4 567 B6R0.6 N#CCNCCO 2230a_100016997473_100011215382 [0,0,1,0,0,0|2,0,1]=4 568 B6R0.6 N#CCSCCO 62a_100000211926_100011215382 [0,0,1,0,0,0|1,1,1]=4 569 B6R0.6 N#CCSCCO 62a_100011215382_100000211926 [0,0,1,0,0,0|1,1,1]=4 570 B6R0.6 NCCCOCF 34a_100000182051_100015361967 [0,0,1,0,0,0|3,0,0]=4 571 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [0,0,1,0,0,0|1,0,2]=4 572 B6R0.6 NCCOCCF 34a_100000210304_100011217306 [0,0,1,0,0,0|2,0,0]=3 573 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [0,0,1,0,0,0|1,0,0]=2 574 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [0,0,1,0,0,0|1,0,2]=4 575 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [0,0,1,0,0,0|1,0,2]=4 576 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [0,0,1,0,0,0|1,0,2]=4 577 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [0,0,1,0,0,0|1,0,2]=4 578 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [0,0,1,0,0,0|1,0,2]=4 579 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [0,0,1,0,0,0|2,0,0]=3 580 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [0,0,1,0,0,0|2,0,0]=3 581 B6R0.6 OCCNCCF 2230a_100016997473_100011217306 [0,0,1,0,0,0|2,0,0]=3 582 B6R0.6 OCCNCCF 34a_100000724931_100000211926 [0,0,1,0,0,0|2,0,0]=3 583 B6R0.6 OCCNCCF 34a_100016990907_100011217306 [0,0,1,0,0,0|2,0,0]=3 584 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [0,0,1,0,0,0|1,0,0]=2 585 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [0,0,1,0,0,0|1,0,0]=2 586 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [0,0,1,0,0,0|1,0,0]=2 587 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [0,0,1,0,0,0|1,1,0]=3 588 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [0,0,1,0,0,0|1,1,0]=3 589 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [0,0,1,0,0,0|1,0,0]=2 590 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [0,0,1,0,0,0|2,0,0]=3 591 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [0,0,1,0,0,0|2,0,0]=3 592 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [0,0,1,0,0,0|3,0,0]=4 593 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [0,0,1,0,0,0|3,0,0]=4 594 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [0,0,1,0,0,0|3,0,0]=4 595 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [0,0,1,0,0,0|3,0,0]=4 596 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [0,0,1,0,0,0|3,0,0]=4 597 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [0,0,1,0,0,0|3,0,0]=4 598 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [0,0,1,0,0,0|3,0,0]=4 599 B6R0.6 [13CH3]SCC#CCO 62a_200000047223_200025704644 [0,0,1,0,0,0|2,0,1]=4 600 B6R0.6 [13CH3]SCC#CCO 62a_200025704644_200000047223 [0,0,1,0,0,0|2,0,1]=4 601 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [0,0,1,0,0,0|3,0,0]=4 602 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [0,0,1,0,0,0|3,0,0]=4 603 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [0,0,1,0,0,0|2,0,0]=3 604 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [0,0,1,0,0,0|2,0,0]=3 605 B6R0.9 C#CC(CC)OC 34a_100000758843_200000210301 [0,0,1,0,0,0|1,0,1]=3 606 B6R0.9 C#CC(CC)OC 7a_100000758843_200000210301 [0,0,1,0,0,0|1,0,1]=3 607 B6R0.9 C#CC(CC)O[13CH3] 34a_100000758843_200025704644 [0,0,1,0,0,0|1,0,1]=3 608 B6R0.9 C#CC(CC)O[13CH3] 7a_100000758843_200025704644 [0,0,1,0,0,0|1,0,1]=3 609 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [0,0,1,0,0,0|1,0,1]=3 610 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [0,0,1,0,0,0|1,0,1]=3 611 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [0,0,1,0,0,0|1,0,1]=3 612 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [0,0,1,0,0,0|1,0,1]=3 613 B6R0.9 C=C[C@@H](CO)NC 2230a_100016989147_200000210301 [0,0,1,0,0,0|1,0,2]=4 614 B6R0.9 C=C[C@@H](CO)NC 34a_100016989147_200000210301 [0,0,1,0,0,0|1,0,2]=4 615 B6R0.9 C=C[C@@H](CO)N[13CH3] 2230a_100016989147_200025704644 [0,0,1,0,0,0|1,0,2]=4 616 B6R0.9 C=C[C@@H](CO)N[13CH3] 34a_100016989147_200025704644 [0,0,1,0,0,0|1,0,2]=4 617 B6R0.9 CCC(CC)NC 2230a_100000199018_200000210301 [0,0,1,0,0,0|2,0,0]=3 618 B6R0.9 CCC(CC)NC 270004a_106832991635_100000210860 [0,0,1,0,0,0|2,0,0]=3 619 B6R0.9 CCC(CC)NC 7a_106832991635_100000210505 [0,0,1,0,0,0|2,0,0]=3 620 B6R0.9 CCC(CC)N[13CH3] 2230a_100000199018_200025704644 [0,0,1,0,0,0|2,0,0]=3 621 B6R0.9 CCC(CC)OC 7a_100000688536_200000210301 [0,0,1,0,0,0|1,0,0]=2 622 B6R0.9 CCC(CC)O[13CH3] 7a_100000688536_200025704644 [0,0,1,0,0,0|1,0,0]=2 623 B6R0.9 CCC(CC)SC 62a_100000210505_200000210301 [0,0,1,0,0,0|1,1,0]=3 624 B6R0.9 CCC(CC)SC 62a_200000210301_100000210505 [0,0,1,0,0,0|1,1,0]=3 625 B6R0.9 CCC(CC)S[13CH3] 62a_100000210505_200025704644 [0,0,1,0,0,0|1,1,0]=3 626 B6R0.9 CCC(CC)S[13CH3] 62a_200025704644_100000210505 [0,0,1,0,0,0|1,1,0]=3 627 B6R0.9 CCN(CC)CC 2230a_100000724800_100000210202 [0,0,1,0,0,0|3,0,0]=4 628 B6R0.9 CCN(CC)CC 269956a_100000042499_100000210202 [0,0,1,0,0,0|3,0,0]=4 629 B6R0.9 CCN(CC)CC 269982a_100000724800_100000204670 [0,0,1,0,0,0|3,0,0]=4 630 B6R0.9 CCN(CC)CF 269956a_100000042499_100015361967 [0,0,1,0,0,0|3,0,0]=4 631 B6R0.9 CCN(CC)CF 269982a_100000724800_100015361967 [0,0,1,0,0,0|3,0,0]=4 632 B6R0.9 CC[C@@H](CO)NC 2230a_100000709445_200000210301 [0,0,1,0,0,0|1,0,0]=2 633 B6R0.9 CC[C@@H](CO)N[13CH3] 2230a_100000709445_200025704644 [0,0,1,0,0,0|1,0,0]=2 634 B6R0.9 CNC(CO)CO 2230a_100000759517_200000210301 [0,0,1,0,0,0|2,0,0]=3 635 B6R0.9 COC(CCl)CCl 7a_100000737055_200000210301 [0,0,1,0,0,0|2,0,0]=3 636 B6R0.9 COC(CF)CF 34a_100000032261_200000210301 [0,0,1,0,0,0|2,0,0]=3 637 B6R0.9 COC(CF)CF 7a_100000032261_200000210301 [0,0,1,0,0,0|2,0,0]=3 638 B6R0.9 COC(CN)CN 34a_100000031598_200000210301 [0,0,1,0,0,0|2,0,0]=3 639 B6R0.9 CO[C@@H](CF)CCl 34a_100015614560_200000210301 [0,0,1,0,0,0|2,0,0]=3 640 B6R0.9 CO[C@@H](CF)CCl 7a_100015614560_200000210301 [0,0,1,0,0,0|2,0,0]=3 641 B6R0.9 [13CH3]NC(CO)CO 2230a_100000759517_200025704644 [0,0,1,0,0,0|2,0,0]=3 642 B6R0.9 [13CH3]OC(CCl)CCl 7a_100000737055_200025704644 [0,0,1,0,0,0|2,0,0]=3 643 B6R0.9 [13CH3]OC(CF)CF 34a_100000032261_200025704644 [0,0,1,0,0,0|2,0,0]=3 644 B6R0.9 [13CH3]OC(CF)CF 7a_100000032261_200025704644 [0,0,1,0,0,0|2,0,0]=3 645 B6R0.9 [13CH3]OC(CN)CN 34a_100000031598_200025704644 [0,0,1,0,0,0|2,0,0]=3 646 B6R0.9 [13CH3]O[C@@H](CF)CCl 34a_100015614560_200025704644 [0,0,1,0,0,0|2,0,0]=3 647 B6R0.9 [13CH3]O[C@@H](CF)CCl 7a_100015614560_200025704644 [0,0,1,0,0,0|2,0,0]=3 648 B6R1.6 CCN1CCC1 269982a_100000754969_100000204670 [0,0,0,0,1,0|2,0,0]=3 649 B6R1.6 CNC1CCC1 2230a_100000749019_200000210301 [0,0,0,0,1,0|2,0,0]=3 650 B6R1.6 CNC1CCC1 270004a_106832991635_100000241760 [0,0,0,0,1,0|2,0,0]=3 651 B6R1.6 CNC1CCC1 34a_100000749019_200000210301 [0,0,0,0,1,0|2,0,0]=3 652 B6R1.6 CNC1CCC1 34a_100102657272_100000749161 [0,0,0,0,1,0|2,0,0]=3 653 B6R1.6 CNC1COC1 2230a_100016991112_200000210301 [0,0,0,0,1,0|3,0,0]=4 654 B6R1.6 CNC1COC1 34a_100102657272_100009818527 [0,0,0,0,1,0|3,0,0]=4 655 B6R1.6 CNC1COC1 7a_106832991635_100009818527 [0,0,0,0,1,0|3,0,0]=4 656 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [0,0,0,0,1,0|2,0,0]=3 657 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [0,0,0,0,1,0|2,0,0]=3 658 B6R1.6 COC1COC1 34a_100138415774_100009818527 [0,0,0,0,1,0|3,0,0]=4 659 B6R1.6 COC1CSC1 7a_100000072292_200000210301 [0,0,0,0,1,0|3,0,0]=4 660 B6R1.6 CSC1CCC1 62a_200000210301_100000749161 [0,0,0,0,1,0|2,0,0]=3 661 B6R1.6 CSC1COC1 62a_200000210301_100009818527 [0,0,0,0,1,0|3,0,0]=4 662 B6R1.6 FCN1CCC1 269982a_100000754969_100015361967 [0,0,0,0,1,0|2,0,0]=3 663 B6R1.6 [13CH3]NC1CCC1 2230a_100000749019_200025704644 [0,0,0,0,1,0|2,0,0]=3 664 B6R1.6 [13CH3]NC1CCC1 34a_100000749019_200025704644 [0,0,0,0,1,0|2,0,0]=3 665 B6R1.6 [13CH3]NC1COC1 2230a_100016991112_200025704644 [0,0,0,0,1,0|3,0,0]=4 666 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [0,0,0,0,1,0|2,0,0]=3 667 B6R1.6 [13CH3]OC1CSC1 7a_100000072292_200025704644 [0,0,0,0,1,0|3,0,0]=4 668 B6R1.6 [13CH3]SC1CCC1 62a_200025704644_100000749161 [0,0,0,0,1,0|2,0,0]=3 669 B6R1.6 [13CH3]SC1COC1 62a_200025704644_100009818527 [0,0,0,0,1,0|3,0,0]=4 670 B8R1.2 CCN1CCCOC1 2230a_100000131196_100000210202 [0,0,0,0,0,1|2,0,0]=3 671 B8R1.2 CCN1CCCOC1 269982a_100000131196_100000204670 [0,0,0,0,0,1|2,0,0]=3 672 B8R1.2 CCN1CCCOC1 34a_100000131196_100000210202 [0,0,0,0,0,1|2,0,0]=3 673 B8R1.2 CCN1CCOCC1 2230a_100015191051_100000210202 [0,0,0,0,0,1|3,0,0]=4 674 B8R1.2 CCN1CCOCC1 269982a_100015191051_100000204670 [0,0,0,0,0,1|3,0,0]=4 675 B8R1.2 CCN1CCOCC1 34a_100015191051_100000210202 [0,0,0,0,0,1|3,0,0]=4 676 B8R1.2 CCN1CCSCC1 2230a_100000737611_100000210202 [0,0,0,0,0,1|3,0,0]=4 677 B8R1.2 CCN1CCSCC1 269982a_100000737611_100000204670 [0,0,0,0,0,1|3,0,0]=4 678 B8R1.2 CNC1C=CCCC1 2230a_106832991635_100000751183 [0,0,0,0,0,1|3,0,0]=4 679 B8R1.2 CNC1C=CCCC1 7a_106832991635_100000751183 [0,0,0,0,0,1|3,0,0]=4 680 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [0,0,0,0,0,1|3,0,0]=4 681 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [0,0,0,0,0,1|3,0,0]=4 682 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [0,0,0,0,0,1|3,0,0]=4 683 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [0,0,0,0,0,1|3,0,0]=4 684 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [0,0,0,0,0,1|3,0,0]=4 685 B8R1.2 CNC1CCCOC1 2230a_100000719290_200000210301 [0,0,0,0,0,1|2,0,0]=3 686 B8R1.2 CNC1CCCOC1 270004a_106832991635_100000753404 [0,0,0,0,0,1|2,0,0]=3 687 B8R1.2 CNC1CCCOC1 34a_100000719290_200000210301 [0,0,0,0,0,1|2,0,0]=3 688 B8R1.2 CNC1CCCOC1 34a_100102657272_100000693364 [0,0,0,0,0,1|2,0,0]=3 689 B8R1.2 CNC1CCCOC1 7a_106832991635_100000693364 [0,0,0,0,0,1|2,0,0]=3 690 B8R1.2 CNC1CCCSC1 270004a_106832991635_100000057913 [0,0,0,0,0,1|2,1,0]=4 691 B8R1.2 CNC1CCNCC1 270004a_106832991635_100015192401 [0,0,0,0,0,1|3,0,0]=4 692 B8R1.2 CNC1CCOCC1 2230a_100000741149_200000210301 [0,0,0,0,0,1|3,0,0]=4 693 B8R1.2 CNC1CCOCC1 270004a_106832991635_100011217826 [0,0,0,0,0,1|3,0,0]=4 694 B8R1.2 CNC1CCOCC1 34a_100000741149_200000210301 [0,0,0,0,0,1|3,0,0]=4 695 B8R1.2 CNC1CCOCC1 7a_106832991635_100000686592 [0,0,0,0,0,1|3,0,0]=4 696 B8R1.2 CNC1CCSCC1 2230a_100000748639_200000210301 [0,0,0,0,0,1|3,0,0]=4 697 B8R1.2 CNC1CCSCC1 270004a_106832991635_100000203788 [0,0,0,0,0,1|3,0,0]=4 698 B8R1.2 CNC1CCSCC1 34a_100000748639_200000210301 [0,0,0,0,0,1|3,0,0]=4 699 B8R1.2 CNC1CCSCC1 34a_100102657272_100000069128 [0,0,0,0,0,1|3,0,0]=4 700 B8R1.2 CNC1CCSCC1 7a_106832991635_100011500858 [0,0,0,0,0,1|3,0,0]=4 701 B8R1.2 COC1C=CCCC1 34a_100011215024_200000210301 [0,0,0,0,0,1|3,0,0]=4 702 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [0,0,0,0,0,1|3,0,0]=4 703 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [0,0,0,0,0,1|3,0,0]=4 704 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [0,0,0,0,0,1|3,0,0]=4 705 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [0,0,0,0,0,1|2,0,0]=3 706 B8R1.2 COC1CCCOC1 34a_100000754041_200000210301 [0,0,0,0,0,1|2,0,0]=3 707 B8R1.2 COC1CCCOC1 34a_100138415774_100000693364 [0,0,0,0,0,1|2,0,0]=3 708 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [0,0,0,0,0,1|2,1,0]=4 709 B8R1.2 COC1CCOCC1 34a_100000744328_200000210301 [0,0,0,0,0,1|3,0,0]=4 710 B8R1.2 COC1CCSCC1 34a_100000731022_200000210301 [0,0,0,0,0,1|3,0,0]=4 711 B8R1.2 COC1CCSCC1 34a_100138415774_100000069128 [0,0,0,0,0,1|3,0,0]=4 712 B8R1.2 COC1CCSCC1 7a_100000731022_200000210301 [0,0,0,0,0,1|3,0,0]=4 713 B8R1.2 CSC1C=CCCC1 62a_100000751183_200000210301 [0,0,0,0,0,1|3,0,0]=4 714 B8R1.2 CSC1C=CCCC1 62a_200000210301_100000751183 [0,0,0,0,0,1|3,0,0]=4 715 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [0,0,0,0,0,1|3,0,0]=4 716 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [0,0,0,0,0,1|3,0,0]=4 717 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [0,0,0,0,0,1|2,0,0]=3 718 B8R1.2 CSC1CCOCC1 62a_200000210301_100011324220 [0,0,0,0,0,1|3,0,0]=4 719 B8R1.2 CSC1CCSCC1 62a_200000210301_100000069128 [0,0,0,0,0,1|3,0,0]=4 720 B8R1.2 FCN1CCCOC1 269982a_100000131196_100015361967 [0,0,0,0,0,1|2,0,0]=3 721 B8R1.2 FCN1CCCOC1 34a_100000131196_100015361967 [0,0,0,0,0,1|2,0,0]=3 722 B8R1.2 FCN1CCOCC1 269982a_100015191051_100015361967 [0,0,0,0,0,1|3,0,0]=4 723 B8R1.2 FCN1CCOCC1 34a_100015191051_100015361967 [0,0,0,0,0,1|3,0,0]=4 724 B8R1.2 FCN1CCSCC1 269982a_100000737611_100015361967 [0,0,0,0,0,1|3,0,0]=4 725 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [0,0,0,0,0,1|3,0,0]=4 726 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [0,0,0,0,0,1|3,0,0]=4 727 B8R1.2 [13CH3]NC1CCCOC1 2230a_100000719290_200025704644 [0,0,0,0,0,1|2,0,0]=3 728 B8R1.2 [13CH3]NC1CCCOC1 34a_100000719290_200025704644 [0,0,0,0,0,1|2,0,0]=3 729 B8R1.2 [13CH3]NC1CCOCC1 2230a_100000741149_200025704644 [0,0,0,0,0,1|3,0,0]=4 730 B8R1.2 [13CH3]NC1CCOCC1 34a_100000741149_200025704644 [0,0,0,0,0,1|3,0,0]=4 731 B8R1.2 [13CH3]NC1CCSCC1 2230a_100000748639_200025704644 [0,0,0,0,0,1|3,0,0]=4 732 B8R1.2 [13CH3]NC1CCSCC1 34a_100000748639_200025704644 [0,0,0,0,0,1|3,0,0]=4 733 B8R1.2 [13CH3]OC1C=CCCC1 34a_100011215024_200025704644 [0,0,0,0,0,1|3,0,0]=4 734 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [0,0,0,0,0,1|3,0,0]=4 735 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [0,0,0,0,0,1|3,0,0]=4 736 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [0,0,0,0,0,1|2,0,0]=3 737 B8R1.2 [13CH3]OC1CCCOC1 34a_100000754041_200025704644 [0,0,0,0,0,1|2,0,0]=3 738 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [0,0,0,0,0,1|2,1,0]=4 739 B8R1.2 [13CH3]OC1CCOCC1 34a_100000744328_200025704644 [0,0,0,0,0,1|3,0,0]=4 740 B8R1.2 [13CH3]OC1CCSCC1 34a_100000731022_200025704644 [0,0,0,0,0,1|3,0,0]=4 741 B8R1.2 [13CH3]OC1CCSCC1 7a_100000731022_200025704644 [0,0,0,0,0,1|3,0,0]=4 742 B8R1.2 [13CH3]SC1C=CCCC1 62a_100000751183_200025704644 [0,0,0,0,0,1|3,0,0]=4 743 B8R1.2 [13CH3]SC1C=CCCC1 62a_200025704644_100000751183 [0,0,0,0,0,1|3,0,0]=4 744 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [0,0,0,0,0,1|3,0,0]=4 745 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [0,0,0,0,0,1|3,0,0]=4 746 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [0,0,0,0,0,1|2,0,0]=3 747 B8R1.2 [13CH3]SC1CCOCC1 62a_200025704644_100011324220 [0,0,0,0,0,1|3,0,0]=4 748 B8R1.2 [13CH3]SC1CCSCC1 62a_200025704644_100000069128 [0,0,0,0,0,1|3,0,0]=4 749 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [1,0,1,0,0,0|2,0,0]=4 750 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [1,0,1,0,0,0|2,0,0]=4 751 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [1,0,1,0,0,0|2,0,0]=4 752 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [1,0,1,0,0,0|2,0,0]=4 753 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [1,0,1,0,0,0|2,0,0]=4 754 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [1,0,1,0,0,0|2,0,0]=4 755 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [1,0,1,0,0,0|2,0,0]=4 756 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [1,0,1,0,0,0|1,0,0]=3 757 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [1,0,1,0,0,0|1,1,0]=4 758 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [1,0,1,0,0,0|1,1,0]=4 759 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [1,0,1,0,0,0|2,0,0]=4 760 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [1,0,1,0,0,0|1,0,0]=3 761 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [1,0,1,0,0,0|1,0,0]=3 762 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [1,0,1,0,0,0|1,0,0]=3 763 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [1,0,1,0,0,0|1,0,0]=3 764 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,1,0,0,0|0,0,2]=4 765 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,1,0,0,0|0,0,2]=4 766 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,1,0,0,0|0,0,2]=4 767 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [1,0,1,0,0,0|2,0,0]=4 768 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [1,0,1,0,0,0|2,0,0]=4 769 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [1,0,1,0,0,0|2,0,0]=4 770 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [1,0,1,0,0,0|2,0,0]=4 771 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [1,0,1,0,0,0|2,0,0]=4 772 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [1,0,1,0,0,0|2,0,0]=4 773 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [1,0,1,0,0,0|1,0,0]=3 774 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [1,0,1,0,0,0|1,0,0]=3 775 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [1,0,1,0,0,0|1,0,0]=3 776 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [1,0,1,0,0,0|0,0,0]=2 777 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [1,0,1,0,0,0|0,0,0]=2 778 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [1,0,1,0,0,0|0,1,0]=3 779 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [1,0,1,0,0,0|0,1,0]=3 780 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [1,0,1,0,0,0|2,0,0]=4 781 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [1,0,1,0,0,0|2,0,0]=4 782 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [1,0,1,0,0,0|2,0,0]=4 783 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [1,0,1,0,0,0|2,0,0]=4 784 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [1,0,1,0,0,0|2,0,0]=4 785 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [1,0,1,0,0,0|2,0,0]=4 786 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [1,0,1,0,0,0|1,0,0]=3 787 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [1,0,1,0,0,0|1,0,0]=3 788 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [1,0,1,0,0,0|1,0,0]=3 789 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [1,0,1,0,0,0|1,0,0]=3 790 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [1,0,1,0,0,0|1,0,0]=3 791 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [1,0,1,0,0,0|1,0,0]=3 792 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [1,0,1,0,0,0|1,0,0]=3 793 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [1,0,1,0,0,0|1,0,0]=3 794 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [1,0,1,0,0,0|2,0,0]=4 795 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [1,0,1,0,0,0|2,0,0]=4 796 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [1,0,1,0,0,0|2,0,0]=4 797 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [1,0,1,0,0,0|2,0,0]=4 798 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [1,0,1,0,0,0|1,0,0]=3 799 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [1,0,1,0,0,0|2,0,0]=4 800 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [1,0,1,0,0,0|2,0,0]=4 801 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [1,0,1,0,0,0|1,0,0]=3 802 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [1,0,1,0,0,0|2,0,0]=4 803 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [1,0,1,0,0,0|2,0,0]=4 804 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [1,0,1,0,0,0|1,0,0]=3 805 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [1,0,1,0,0,0|1,0,0]=3 806 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [1,0,1,0,0,0|1,0,0]=3 807 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [1,0,1,0,0,0|1,0,0]=3 808 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [1,0,1,0,0,0|2,0,0]=4 809 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [1,0,1,0,0,0|2,0,0]=4 810 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [1,0,1,0,0,0|1,0,0]=3 811 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [1,0,1,0,0,0|1,0,0]=3 812 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [1,0,1,0,0,0|0,0,2]=4 813 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [1,0,1,0,0,0|0,0,2]=4 814 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,0,1,0,0,0|0,0,2]=4 815 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,0,1,0,0,0|0,0,2]=4 816 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [1,0,1,0,0,0|2,0,0]=4 817 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [1,0,1,0,0,0|2,0,0]=4 818 B5R0.2 CCCCNC 34a_100102657272_100000210210 [1,0,1,0,0,0|2,0,0]=4 819 B5R0.2 CCCCNC 7a_106832991635_100000210211 [1,0,1,0,0,0|2,0,0]=4 820 B5R0.2 CCCCNC 7a_106832991798_200000210301 [1,0,1,0,0,0|2,0,0]=4 821 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [1,0,1,0,0,0|2,0,0]=4 822 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [1,0,1,0,0,0|2,0,0]=4 823 B5R0.2 CCCCOC 34a_100000210227_200000210301 [1,0,1,0,0,0|2,0,0]=4 824 B5R0.2 CCCCOC 34a_100138415774_100000210210 [1,0,1,0,0,0|2,0,0]=4 825 B5R0.2 CCCCOC 7a_100000210227_200000210301 [1,0,1,0,0,0|2,0,0]=4 826 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [1,0,1,0,0,0|2,0,0]=4 827 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [1,0,1,0,0,0|2,0,0]=4 828 B5R0.2 CCCCSC 62a_100000210211_200000210301 [1,0,1,0,0,0|2,0,0]=4 829 B5R0.2 CCCCSC 62a_200000210301_100000210210 [1,0,1,0,0,0|2,0,0]=4 830 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [1,0,1,0,0,0|2,0,0]=4 831 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [1,0,1,0,0,0|2,0,0]=4 832 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [1,0,1,0,0,0|1,0,0]=3 833 B5R0.2 CCCOCC 34a_100000210258_100000210202 [1,0,1,0,0,0|0,0,0]=2 834 B5R0.2 CCCOCC 34a_100121572206_100000210303 [1,0,1,0,0,0|0,0,0]=2 835 B5R0.2 CCCOCF 34a_100000210258_100015361967 [1,0,1,0,0,0|1,0,0]=3 836 B5R0.2 CCCSCC 62a_100000210202_100000210303 [1,0,1,0,0,0|0,1,0]=3 837 B5R0.2 CCCSCC 62a_100000210303_100000210202 [1,0,1,0,0,0|0,1,0]=3 838 B5R0.2 CCCSCF 62a_100000210303_100015361967 [1,0,1,0,0,0|1,1,0]=4 839 B5R0.2 CCCSCF 62a_100015361967_100000210303 [1,0,1,0,0,0|1,1,0]=4 840 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [1,0,1,0,0,0|2,0,0]=4 841 B5R0.2 CCNCCF 34a_100000724931_100000210202 [1,0,1,0,0,0|2,0,0]=4 842 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [1,0,1,0,0,0|1,0,0]=3 843 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [1,0,1,0,0,0|1,0,0]=3 844 B5R0.2 CCNCCO 34a_100016990907_100000210202 [1,0,1,0,0,0|1,0,0]=3 845 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [1,0,1,0,0,0|2,0,0]=4 846 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [1,0,1,0,0,0|2,0,0]=4 847 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,0,1,0,0,0|0,0,2]=4 848 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [1,0,1,0,0,0|1,0,0]=3 849 B5R0.2 CCOCCF 34a_100121572206_100011217306 [1,0,1,0,0,0|1,0,0]=3 850 B5R0.2 CCOCCN 34a_100000210304_100000210202 [1,0,1,0,0,0|1,0,0]=3 851 B5R0.2 CCOCCO 34a_100121572206_100000211926 [1,0,1,0,0,0|0,0,0]=2 852 B5R0.2 CCOCSC 34a_100121572206_100011218213 [1,0,1,0,0,0|1,0,0]=3 853 B5R0.2 CCOCSC 62a_100000739092_200000210301 [1,0,1,0,0,0|1,0,0]=3 854 B5R0.2 CCOCSC 62a_200000210301_100000739092 [1,0,1,0,0,0|1,0,0]=3 855 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [1,0,1,0,0,0|1,0,0]=3 856 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [1,0,1,0,0,0|1,0,0]=3 857 B5R0.2 CCSCCF 62a_100000210202_100011217306 [1,0,1,0,0,0|1,1,0]=4 858 B5R0.2 CCSCCF 62a_100011217306_100000210202 [1,0,1,0,0,0|1,1,0]=4 859 B5R0.2 CCSCCO 62a_100000210202_100000211926 [1,0,1,0,0,0|0,1,0]=3 860 B5R0.2 CCSCCO 62a_100000211926_100000210202 [1,0,1,0,0,0|0,1,0]=3 861 B5R0.2 CCSCOC 62a_100000210202_100000766300 [1,0,1,0,0,0|1,1,0]=4 862 B5R0.2 CCSCOC 62a_100000766300_100000210202 [1,0,1,0,0,0|1,1,0]=4 863 B5R0.2 CCSCSC 62a_100000210202_100011218213 [1,0,1,0,0,0|1,1,0]=4 864 B5R0.2 CCSCSC 62a_100011218213_100000210202 [1,0,1,0,0,0|1,1,0]=4 865 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [1,0,1,0,0,0|2,0,0]=4 866 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [1,0,1,0,0,0|2,0,0]=4 867 B5R0.2 CNCCCF 34a_100015189416_200000210301 [1,0,1,0,0,0|2,0,0]=4 868 B5R0.2 CNCCCF 34a_100102657272_100011934791 [1,0,1,0,0,0|2,0,0]=4 869 B5R0.2 CNCCCF 7a_106832991635_100011934791 [1,0,1,0,0,0|2,0,0]=4 870 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [1,0,1,0,0,0|1,0,0]=3 871 B5R0.2 CNCCCO 34a_100102657272_100000230001 [1,0,1,0,0,0|1,0,0]=3 872 B5R0.2 CNCCCO 7a_106832991635_100011215043 [1,0,1,0,0,0|1,0,0]=3 873 B5R0.2 COCCCBr 34a_100011217188_200000210301 [1,0,1,0,0,0|2,0,0]=4 874 B5R0.2 COCCCCl 34a_100000230001_200000210301 [1,0,1,0,0,0|2,0,0]=4 875 B5R0.2 COCCCF 34a_100000759539_200000210301 [1,0,1,0,0,0|2,0,0]=4 876 B5R0.2 COCCCF 34a_100138415774_100011934791 [1,0,1,0,0,0|2,0,0]=4 877 B5R0.2 COCCCN 34a_100000182051_200000210301 [1,0,1,0,0,0|2,0,0]=4 878 B5R0.2 COCCCO 34a_100138415774_100000230001 [1,0,1,0,0,0|1,0,0]=3 879 B5R0.2 CSCCCF 62a_100011934791_200000210301 [1,0,1,0,0,0|2,0,0]=4 880 B5R0.2 CSCCCF 62a_200000210301_100011934791 [1,0,1,0,0,0|2,0,0]=4 881 B5R0.2 CSCCCO 62a_100011215043_200000210301 [1,0,1,0,0,0|1,0,0]=3 882 B5R0.2 CSCCCO 62a_200000210301_100011215043 [1,0,1,0,0,0|1,0,0]=3 883 B5R0.2 FCOCCBr 34a_100000211926_100015361967 [1,0,1,0,0,0|2,0,0]=4 884 B5R0.2 NCCOCF 34a_100000210304_100015361967 [1,0,1,0,0,0|2,0,0]=4 885 B5R0.2 OCCNCF 34a_100016990907_100015361967 [1,0,1,0,0,0|2,0,0]=4 886 B5R0.2 OCCSCF 62a_100000211926_100015361967 [1,0,1,0,0,0|1,1,0]=4 887 B5R0.2 OCCSCF 62a_100015361967_100000211926 [1,0,1,0,0,0|1,1,0]=4 888 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [1,0,1,0,0,0|2,0,0]=4 889 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [1,0,1,0,0,0|2,0,0]=4 890 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [1,0,1,0,0,0|2,0,0]=4 891 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [1,0,1,0,0,0|2,0,0]=4 892 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [1,0,1,0,0,0|2,0,0]=4 893 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [1,0,1,0,0,0|2,0,0]=4 894 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [1,0,1,0,0,0|2,0,0]=4 895 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [1,0,1,0,0,0|2,0,0]=4 896 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [1,0,1,0,0,0|1,0,0]=3 897 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [1,0,1,0,0,0|1,0,0]=3 898 B5R0.3 C#CC(C)OC 34a_100138415774_200000035995 [1,0,1,0,0,0|0,0,2]=4 899 B5R0.3 C#C[C@@H](C)OC 34a_100009815206_200000210301 [1,0,1,0,0,0|0,0,2]=4 900 B5R0.3 C#C[C@@H](C)OC 7a_100009815206_200000210301 [1,0,1,0,0,0|0,0,2]=4 901 B5R0.3 C#C[C@@H](C)O[13CH3] 34a_100009815206_200025704644 [1,0,1,0,0,0|0,0,2]=4 902 B5R0.3 C#C[C@@H](C)O[13CH3] 7a_100009815206_200025704644 [1,0,1,0,0,0|0,0,2]=4 903 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,0,1,0,0,0|0,0,2]=4 904 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,0,1,0,0,0|0,0,2]=4 905 B5R0.3 CC(C#N)O[13CH3] 34a_100011218135_200025704644 [1,0,1,0,0,0|1,0,1]=4 906 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [1,0,1,0,0,0|1,0,0]=3 907 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [1,0,1,0,0,0|1,0,0]=3 908 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [1,0,1,0,0,0|1,0,0]=3 909 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [1,0,1,0,0,0|0,1,0]=3 910 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,0,1,0,0,0|0,0,2]=4 911 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,0,1,0,0,0|1,0,0]=3 912 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,0,1,0,0,0|1,0,0]=3 913 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,0,1,0,0,0|1,0,0]=3 914 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,0,1,0,0,0|1,0,0]=3 915 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,0,1,0,0,0|1,0,0]=3 916 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,0,1,0,0,0|0,0,0]=2 917 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,0,1,0,0,0|0,0,0]=2 918 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,0,1,0,0,0|0,0,0]=2 919 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,0,1,0,0,0|0,1,0]=3 920 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,0,1,0,0,0|0,1,0]=3 921 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,0,1,0,0,0|0,1,0]=3 922 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,0,1,0,0,0|0,1,0]=3 923 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [1,0,1,0,0,0|2,0,0]=4 924 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [1,0,1,0,0,0|2,0,0]=4 925 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [1,0,1,0,0,0|2,0,0]=4 926 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [1,0,1,0,0,0|2,0,0]=4 927 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [1,0,1,0,0,0|2,0,0]=4 928 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [1,0,1,0,0,0|2,0,0]=4 929 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [1,0,1,0,0,0|2,0,0]=4 930 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [1,0,1,0,0,0|2,0,0]=4 931 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [1,0,1,0,0,0|2,0,0]=4 932 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [1,0,1,0,0,0|1,0,0]=3 933 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [1,0,1,0,0,0|1,0,0]=3 934 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [1,0,1,0,0,0|1,0,0]=3 935 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [1,0,1,0,0,0|1,0,0]=3 936 B5R0.3 COC(C)C#N 34a_100011218135_200000210301 [1,0,1,0,0,0|1,0,1]=4 937 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [1,0,1,0,0,0|1,0,0]=3 938 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [1,0,1,0,0,0|1,0,0]=3 939 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [1,0,1,0,0,0|1,0,0]=3 940 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [1,0,1,0,0,0|0,0,0]=2 941 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [1,0,1,0,0,0|1,0,0]=3 942 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [1,0,1,0,0,0|1,0,0]=3 943 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [1,0,1,0,0,0|1,0,0]=3 944 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [1,0,1,0,0,0|1,0,0]=3 945 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [1,0,1,0,0,0|0,1,0]=3 946 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [1,0,1,0,0,0|0,1,0]=3 947 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [1,0,1,0,0,0|0,1,0]=3 948 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [1,0,1,0,0,0|1,0,0]=3 949 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [1,0,1,0,0,0|0,1,0]=3 950 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [1,0,1,0,0,0|0,1,0]=3 951 B7R0.2 C#CC(C)OC(C)C 34a_100000212225_200000035995 [0,1,1,0,0,0|1,0,1]=4 952 B7R0.2 C#C[C@@H](C)OC(C)C 34a_100009815206_100000210206 [0,1,1,0,0,0|1,0,1]=4 953 B7R0.2 C#C[C@@H](C)OC(C)C 7a_100009815206_100000210206 [0,1,1,0,0,0|1,0,1]=4 954 B7R0.2 C=CC(C)OC(C)C 34a_100000695699_100000210206 [0,1,1,0,0,0|1,0,1]=4 955 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,1,1,0,0,0|1,0,1]=4 956 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [0,1,1,0,0,0|1,0,1]=4 957 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [0,1,1,0,0,0|1,0,1]=4 958 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [0,1,1,0,0,0|0,0,2]=4 959 B7R0.2 CC(C)NC(C)CO 2230a_100138425928_100012180447 [0,1,1,0,0,0|1,0,0]=3 960 B7R0.2 CC(C)NC(C)CO 34a_100138425928_100012180447 [0,1,1,0,0,0|1,0,0]=3 961 B7R0.2 CC(C)N[C@H](C)CO 2230a_100000737577_100000210206 [0,1,1,0,0,0|1,0,0]=3 962 B7R0.2 CC(C)OC(C)C#N 34a_100011218135_100000210206 [0,1,1,0,0,0|1,0,1]=4 963 B7R0.2 CC(C)OC(C)CF 34a_100016041109_100000210206 [0,1,1,0,0,0|1,0,0]=3 964 B7R0.2 CC(C)OC(C)CF 7a_100016041109_100000210206 [0,1,1,0,0,0|1,0,0]=3 965 B7R0.2 CC(C)OC(C)CN 34a_100000210904_100000210206 [0,1,1,0,0,0|1,0,0]=3 966 B7R0.2 CC(C)OC(C)CO 34a_100000212225_100012180447 [0,1,1,0,0,0|0,0,0]=2 967 B7R0.2 CC(C)SC(C)CO 62a_100012180447_100000210206 [0,1,1,0,0,0|0,1,0]=3 968 B7R0.2 CC(C)S[C@H](C)CO 62a_100000210206_100016084084 [0,1,1,0,0,0|0,1,0]=3 969 B7R0.2 CC(C)S[C@H](C)CO 62a_100016084084_100000210206 [0,1,1,0,0,0|0,1,0]=3 970 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [0,1,1,0,0,0|0,0,2]=4 971 B7R0.2 CCC(C)NC(C)C 2230a_100000209981_100000210206 [0,1,1,0,0,0|2,0,0]=4 972 B7R0.2 CCC(C)NC(C)C 2230a_100138425928_100000758301 [0,1,1,0,0,0|2,0,0]=4 973 B7R0.2 CCC(C)NC(C)C 34a_100138425928_100011215416 [0,1,1,0,0,0|2,0,0]=4 974 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [0,1,1,0,0,0|1,0,0]=3 975 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [0,1,1,0,0,0|1,0,0]=3 976 B7R0.2 CCC(C)SC(C)C 62a_100000210206_100000758301 [0,1,1,0,0,0|1,1,0]=4 977 B7R0.2 CCC(C)SC(C)C 62a_100000758301_100000210206 [0,1,1,0,0,0|1,1,0]=4 978 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,1,1,0,0,0|1,0,1]=4 979 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,1,1,0,0,0|1,0,1]=4 980 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,1,1,0,0,0|1,0,1]=4 981 B7R0.2 CCC(O)CN(C)C 2230a_100102631434_100011218378 [0,1,1,0,0,0|2,0,0]=4 982 B7R0.2 CCC(O)CN(C)C 269982a_100102631434_100011218378 [0,1,1,0,0,0|2,0,0]=4 983 B7R0.2 CN(C)CC(O)CO 2230a_100011216503_200000210301 [0,1,1,0,0,0|1,0,0]=3 984 B7R0.2 CN(C)CC(O)CO 2230a_100102631434_100011219619 [0,1,1,0,0,0|1,0,0]=3 985 B7R0.2 CN(C)CC(O)CO 269982a_100011216503_200000210301 [0,1,1,0,0,0|1,0,0]=3 986 B7R0.2 CN(C)C[C@@H](O)CF 2230a_100102631434_100015614560 [0,1,1,0,0,0|2,0,0]=4 987 B7R0.2 CN(C)C[C@@H](O)CO 2230a_100102631434_100009815848 [0,1,1,0,0,0|1,0,0]=3 988 B7R0.2 CN([13CH3])CC(O)CO 2230a_100011216503_200025704644 [0,1,1,0,0,0|1,0,0]=3 989 B7R0.2 CN([13CH3])CC(O)CO 269982a_100011216503_200025704644 [0,1,1,0,0,0|1,0,0]=3 990 B7R0.2 C[C@@H](CO)CN(C)C 2230a_100102631434_100000059175 [0,1,1,0,0,0|2,0,0]=4 991 B7R0.2 C[C@@H](CO)CN(C)C 269982a_100102631434_100000059175 [0,1,1,0,0,0|2,0,0]=4 992 B7R0.3 C#CC(C)OCCBr 34a_100000211926_200000035995 [0,1,1,0,0,0|1,0,1]=4 993 B7R0.3 C#CC(C)OCCC 34a_100000210258_200000035995 [0,1,1,0,0,0|1,0,1]=4 994 B7R0.3 C#CC(C)OCCN 34a_100000210304_200000035995 [0,1,1,0,0,0|1,0,1]=4 995 B7R0.3 C#CCNC(C)CO 34a_100000212058_100012180447 [0,1,1,0,0,0|1,0,1]=4 996 B7R0.3 C#CCN[C@H](C)CO 2230a_100000737577_100000038162 [0,1,1,0,0,0|1,0,1]=4 997 B7R0.3 C#CCOC(C)CC 34a_100000210247_100011215416 [0,1,1,0,0,0|1,0,1]=4 998 B7R0.3 C#CCOC(C)CC 7a_100000210228_100000038162 [0,1,1,0,0,0|1,0,1]=4 999 B7R0.3 C#CCOC(C)CF 34a_100016041109_100000184674 [0,1,1,0,0,0|1,0,1]=4 1000 B7R0.3 C#CCOC(C)CF 7a_100016041109_100000038162 [0,1,1,0,0,0|1,0,1]=4 1001 B7R0.3 C#CCOC(C)CN 34a_100000210904_100000184674 [0,1,1,0,0,0|1,0,1]=4 1002 B7R0.3 C#CCOC(C)CO 34a_100000210247_100012180447 [0,1,1,0,0,0|0,0,1]=3 1003 B7R0.3 C#CCS[C@H](C)CO 62a_100000038162_100016084084 [0,1,1,0,0,0|0,1,1]=4 1004 B7R0.3 C#C[C@@H](C)OCCC 34a_100009815206_100000210303 [0,1,1,0,0,0|1,0,1]=4 1005 B7R0.3 C#C[C@@H](C)OCCC 7a_100009815206_100000210303 [0,1,1,0,0,0|1,0,1]=4 1006 B7R0.3 C#C[C@@H](C)OCCF 34a_100009815206_100011217306 [0,1,1,0,0,0|1,0,1]=4 1007 B7R0.3 C#C[C@@H](C)OCCF 7a_100009815206_100011217306 [0,1,1,0,0,0|1,0,1]=4 1008 B7R0.3 C#C[C@@H](C)OCCO 34a_100009815206_100000211926 [0,1,1,0,0,0|1,0,1]=4 1009 B7R0.3 C#C[C@@H](C)OCCO 7a_100009815206_100000211926 [0,1,1,0,0,0|1,0,1]=4 1010 B7R0.3 C#C[C@@H](C)OCSC 34a_100009815206_100011218213 [0,1,1,0,0,0|1,0,1]=4 1011 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [0,1,1,0,0,0|1,0,1]=4 1012 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [0,1,1,0,0,0|1,0,1]=4 1013 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [0,1,1,0,0,0|1,0,1]=4 1014 B7R0.3 C=CC(C)OCCF 34a_100000695699_100011217306 [0,1,1,0,0,0|1,0,1]=4 1015 B7R0.3 C=CC(C)OCCO 34a_100000695699_100000211926 [0,1,1,0,0,0|1,0,1]=4 1016 B7R0.3 C=CC(C)OCSC 34a_100000695699_100011218213 [0,1,1,0,0,0|1,0,1]=4 1017 B7R0.3 C=CC(O)CNCC 2230a_100015525214_100000730141 [0,1,1,0,0,0|1,0,1]=4 1018 B7R0.3 C=CC(O)COCC 34a_100121572206_100000730141 [0,1,1,0,0,0|1,0,1]=4 1019 B7R0.3 C=CC(O)CSCC 62a_100000210202_100000730141 [0,1,1,0,0,0|1,0,1]=4 1020 B7R0.3 C=CC(O)CSCC 62a_100000730141_100000210202 [0,1,1,0,0,0|1,0,1]=4 1021 B7R0.3 C=CCNC(C)CO 2230a_100020586998_100012180447 [0,1,1,0,0,0|1,0,1]=4 1022 B7R0.3 C=CCN[C@H](C)CO 2230a_100000737577_100000210623 [0,1,1,0,0,0|1,0,1]=4 1023 B7R0.3 C=CCOC(C)CC 34a_200000210373_100011215416 [0,1,1,0,0,0|1,0,1]=4 1024 B7R0.3 C=CCOC(C)CC 7a_100000210228_100015514636 [0,1,1,0,0,0|1,0,1]=4 1025 B7R0.3 C=CCOC(C)CF 34a_100016041109_100015514636 [0,1,1,0,0,0|1,0,1]=4 1026 B7R0.3 C=CCOC(C)CF 7a_100016041109_100015514636 [0,1,1,0,0,0|1,0,1]=4 1027 B7R0.3 C=CCOC(C)CN 34a_100000210904_100015514636 [0,1,1,0,0,0|1,0,1]=4 1028 B7R0.3 C=CCOC(C)CO 34a_200000210373_100012180447 [0,1,1,0,0,0|0,0,1]=3 1029 B7R0.3 C=CCSC(C)CO 62a_100012180447_100000210623 [0,1,1,0,0,0|0,1,1]=4 1030 B7R0.3 C=CCS[C@H](C)CO 62a_100000210623_100016084084 [0,1,1,0,0,0|0,1,1]=4 1031 B7R0.3 C=CCS[C@H](C)CO 62a_100016084084_100000210623 [0,1,1,0,0,0|0,1,1]=4 1032 B7R0.3 CC(C#N)OCCF 34a_100011218135_100011217306 [0,1,1,0,0,0|1,0,1]=4 1033 B7R0.3 CC(C#N)OCCO 34a_100011218135_100000211926 [0,1,1,0,0,0|1,0,1]=4 1034 B7R0.3 CC(CF)OCC#N 7a_100016041109_100011215382 [0,1,1,0,0,0|1,0,1]=4 1035 B7R0.3 CC(CF)OCC=O 34a_100016041109_200009817547 [0,1,1,0,0,0|1,0,1]=4 1036 B7R0.3 CC(CF)OCC=O 7a_100016041109_200015260668 [0,1,1,0,0,0|1,0,1]=4 1037 B7R0.3 CC(CF)OCCF 34a_100016041109_100011217306 [0,1,1,0,0,0|1,0,0]=3 1038 B7R0.3 CC(CF)OCCF 7a_100016041109_100011217306 [0,1,1,0,0,0|1,0,0]=3 1039 B7R0.3 CC(CF)OCCO 34a_100016041109_100000211926 [0,1,1,0,0,0|1,0,0]=3 1040 B7R0.3 CC(CF)OCCO 7a_100016041109_100000211926 [0,1,1,0,0,0|1,0,0]=3 1041 B7R0.3 CC(CN)COCF 34a_100000744482_100015361967 [0,1,1,0,0,0|2,0,0]=4 1042 B7R0.3 CC(CN)OCC=O 34a_100000210904_200009817547 [0,1,1,0,0,0|1,0,1]=4 1043 B7R0.3 CC(CN)OCCF 34a_100000210904_100011217306 [0,1,1,0,0,0|1,0,0]=3 1044 B7R0.3 CC(CN)OCCO 34a_100000210904_100000211926 [0,1,1,0,0,0|1,0,0]=3 1045 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [0,1,1,0,0,0|1,0,0]=3 1046 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [0,1,1,0,0,0|1,0,0]=3 1047 B7R0.3 CC(CO)CNCF 34a_100000744482_100015361967 [0,1,1,0,0,0|2,0,0]=4 1048 B7R0.3 CC(CO)NCCF 34a_100000724931_100012180447 [0,1,1,0,0,0|1,0,0]=3 1049 B7R0.3 CC(CO)NCCO 2230a_100016997473_100012180447 [0,1,1,0,0,0|1,0,0]=3 1050 B7R0.3 CC(CO)NCCO 34a_100016990907_100012180447 [0,1,1,0,0,0|1,0,0]=3 1051 B7R0.3 CC(CO)OCCBr 34a_100000211926_100012180447 [0,1,1,0,0,0|0,0,0]=2 1052 B7R0.3 CC(CO)OCCN 34a_100000210304_100012180447 [0,1,1,0,0,0|0,0,0]=2 1053 B7R0.3 CC(CO)SCC#N 62a_100012180447_100011215382 [0,1,1,0,0,0|0,1,1]=4 1054 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [0,1,1,0,0,0|0,1,1]=4 1055 B7R0.3 CC(CO)SCCF 62a_100012180447_100011217306 [0,1,1,0,0,0|0,1,0]=3 1056 B7R0.3 CC(CO)SCCO 62a_100012180447_100000211926 [0,1,1,0,0,0|0,1,0]=3 1057 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [0,1,1,0,0,0|2,0,0]=4 1058 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [0,1,1,0,0,0|2,0,0]=4 1059 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [0,1,1,0,0,0|2,0,0]=4 1060 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [0,1,1,0,0,0|2,0,0]=4 1061 B7R0.3 CCC(C)NCCF 2230a_100000209981_100011217306 [0,1,1,0,0,0|2,0,0]=4 1062 B7R0.3 CCC(C)NCCF 34a_100000724931_100011215416 [0,1,1,0,0,0|2,0,0]=4 1063 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [0,1,1,0,0,0|2,0,0]=4 1064 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [0,1,1,0,0,0|2,0,0]=4 1065 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [0,1,1,0,0,0|2,0,0]=4 1066 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [0,1,1,0,0,0|2,0,0]=4 1067 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [0,1,1,0,0,0|2,0,0]=4 1068 B7R0.3 CCC(C)OCC#N 7a_100000210228_100011215382 [0,1,1,0,0,0|1,0,1]=4 1069 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [0,1,1,0,0,0|1,0,1]=4 1070 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [0,1,1,0,0,0|1,0,0]=3 1071 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [0,1,1,0,0,0|1,0,0]=3 1072 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [0,1,1,0,0,0|1,0,0]=3 1073 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [0,1,1,0,0,0|1,0,0]=3 1074 B7R0.3 CCC(C)SCCF 62a_100000758301_100011217306 [0,1,1,0,0,0|1,1,0]=4 1075 B7R0.3 CCC(C)SCCF 62a_100011217306_100000758301 [0,1,1,0,0,0|1,1,0]=4 1076 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [0,1,1,0,0,0|1,1,0]=4 1077 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [0,1,1,0,0,0|1,1,0]=4 1078 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [0,1,1,0,0,0|1,1,0]=4 1079 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [0,1,1,0,0,0|1,1,0]=4 1080 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [0,1,1,0,0,0|1,1,0]=4 1081 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [0,1,1,0,0,0|1,1,0]=4 1082 B7R0.3 CCC(O)CSCF 62a_100011218378_100015361967 [0,1,1,0,0,0|2,0,0]=4 1083 B7R0.3 CCC(O)CSCF 62a_100015361967_100011218378 [0,1,1,0,0,0|2,0,0]=4 1084 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [0,1,1,0,0,0|0,0,2]=4 1085 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [0,1,1,0,0,0|0,0,2]=4 1086 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [0,1,1,0,0,0|0,0,2]=4 1087 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [0,1,1,0,0,0|2,0,0]=4 1088 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [0,1,1,0,0,0|1,0,0]=3 1089 B7R0.3 CCCOC(C)C#N 34a_100011218135_100000210303 [0,1,1,0,0,0|1,0,1]=4 1090 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [0,1,1,0,0,0|1,0,0]=3 1091 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [0,1,1,0,0,0|1,0,0]=3 1092 B7R0.3 CCCOC(C)CF 34a_100016041109_100000210303 [0,1,1,0,0,0|1,0,0]=3 1093 B7R0.3 CCCOC(C)CF 7a_100016041109_100000210303 [0,1,1,0,0,0|1,0,0]=3 1094 B7R0.3 CCCOC(C)CN 34a_100000210904_100000210303 [0,1,1,0,0,0|1,0,0]=3 1095 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [0,1,1,0,0,0|0,0,0]=2 1096 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [0,1,1,0,0,0|1,1,0]=4 1097 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [0,1,1,0,0,0|1,1,0]=4 1098 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [0,1,1,0,0,0|0,1,0]=3 1099 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [0,1,1,0,0,0|0,1,0]=3 1100 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [0,1,1,0,0,0|0,1,0]=3 1101 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [0,1,1,0,0,0|2,0,0]=4 1102 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [0,1,1,0,0,0|2,0,0]=4 1103 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [0,1,1,0,0,0|2,0,0]=4 1104 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [0,1,1,0,0,0|1,0,0]=3 1105 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [0,1,1,0,0,0|1,0,0]=3 1106 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [0,1,1,0,0,0|1,0,0]=3 1107 B7R0.3 CCNCC(O)CO 2230a_100015525214_100011219619 [0,1,1,0,0,0|0,0,0]=2 1108 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [0,1,1,0,0,0|2,0,0]=4 1109 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [0,1,1,0,0,0|1,0,0]=3 1110 B7R0.3 CCNC[C@@H](F)CO 34a_100015665980_100000210202 [0,1,1,0,0,0|1,0,0]=3 1111 B7R0.3 CCNC[C@@H](O)CF 2230a_100015525214_100015614560 [0,1,1,0,0,0|1,0,0]=3 1112 B7R0.3 CCNC[C@@H](O)CO 2230a_100015525214_100009815848 [0,1,1,0,0,0|0,0,0]=2 1113 B7R0.3 CCNC[C@H](O)CO 2230a_100020644852_100000210202 [0,1,1,0,0,0|0,0,0]=2 1114 B7R0.3 CCNN=C(C)CO 4a_100000756455_100000211253 [0,1,1,0,0,0|1,0,1]=4 1115 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [0,1,1,0,0,0|1,0,0]=3 1116 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [0,1,1,0,0,0|1,0,0]=3 1117 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [0,1,1,0,0,0|2,0,0]=4 1118 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [0,1,1,0,0,0|2,0,0]=4 1119 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [0,1,1,0,0,0|2,0,0]=4 1120 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [0,1,1,0,0,0|2,0,0]=4 1121 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [0,1,1,0,0,0|2,0,0]=4 1122 B7R0.3 CCOCC(Cl)CCl 34a_100000033668_100000210202 [0,1,1,0,0,0|2,0,0]=4 1123 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [0,1,1,0,0,0|1,0,0]=3 1124 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [0,1,1,0,0,0|0,0,0]=2 1125 B7R0.3 CCOCN(C)CC 269982a_100000225621_100000739092 [0,1,1,0,0,0|2,0,0]=4 1126 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [0,1,1,0,0,0|1,0,0]=3 1127 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [0,1,1,0,0,0|1,0,0]=3 1128 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [0,1,1,0,0,0|0,0,0]=2 1129 B7R0.3 CCOC[C@@H](O)CF 34a_100121572206_100015614560 [0,1,1,0,0,0|1,0,0]=3 1130 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [0,1,1,0,0,0|0,0,0]=2 1131 B7R0.3 CCOC[C@H](F)CN 34a_100015665980_100000210202 [0,1,1,0,0,0|2,0,0]=4 1132 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [0,1,1,0,0,0|1,1,0]=4 1133 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [0,1,1,0,0,0|1,1,0]=4 1134 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [0,1,1,0,0,0|1,0,0]=3 1135 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [0,1,1,0,0,0|1,0,0]=3 1136 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [0,1,1,0,0,0|0,0,0]=2 1137 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [0,1,1,0,0,0|0,0,0]=2 1138 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [0,1,1,0,0,0|1,1,0]=4 1139 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [0,1,1,0,0,0|1,1,0]=4 1140 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [0,1,1,0,0,0|0,1,0]=3 1141 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [0,1,1,0,0,0|0,1,0]=3 1142 B7R0.3 CCSC[C@@H](O)CF 62a_100000210202_100015614560 [0,1,1,0,0,0|1,0,0]=3 1143 B7R0.3 CCSC[C@@H](O)CF 62a_100015614560_100000210202 [0,1,1,0,0,0|1,0,0]=3 1144 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [0,1,1,0,0,0|0,0,0]=2 1145 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [0,1,1,0,0,0|0,0,0]=2 1146 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [0,1,1,0,0,0|2,0,0]=4 1147 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [0,1,1,0,0,0|1,0,0]=3 1148 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [0,1,1,0,0,0|1,0,0]=3 1149 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,1,1,0,0,0|0,0,2]=4 1150 B7R0.3 COCN[C@H](C)CO 2230a_100000737577_100000766300 [0,1,1,0,0,0|1,0,0]=3 1151 B7R0.3 COCSC(C)CO 62a_100012180447_100000766300 [0,1,1,0,0,0|0,1,0]=3 1152 B7R0.3 COCS[C@H](C)CO 62a_100000766300_100016084084 [0,1,1,0,0,0|0,1,0]=3 1153 B7R0.3 COCS[C@H](C)CO 62a_100016084084_100000766300 [0,1,1,0,0,0|0,1,0]=3 1154 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,1,1,0,0,0|0,0,2]=4 1155 B7R0.3 CSCN[C@H](C)CO 2230a_100000737577_100011218213 [0,1,1,0,0,0|1,0,0]=3 1156 B7R0.3 CSCOC(C)C#N 34a_100011218135_100011218213 [0,1,1,0,0,0|1,0,1]=4 1157 B7R0.3 CSCOC(C)CF 34a_100016041109_100011218213 [0,1,1,0,0,0|1,0,0]=3 1158 B7R0.3 CSCOC(C)CN 34a_100000210904_100011218213 [0,1,1,0,0,0|1,0,0]=3 1159 B7R0.3 CSCSC(C)CO 62a_100012180447_100011218213 [0,1,1,0,0,0|0,1,0]=3 1160 B7R0.3 CSCS[C@H](C)CO 62a_100011218213_100016084084 [0,1,1,0,0,0|0,1,0]=3 1161 B7R0.3 CSCS[C@H](C)CO 62a_100016084084_100011218213 [0,1,1,0,0,0|0,1,0]=3 1162 B7R0.3 C[C@@H](CO)CSCF 62a_100000059175_100015361967 [0,1,1,0,0,0|1,1,0]=4 1163 B7R0.3 C[C@@H](CO)CSCF 62a_100015361967_100000059175 [0,1,1,0,0,0|1,1,0]=4 1164 B7R0.3 C[C@H](CO)NCC#N 2230a_100000737577_100011215382 [0,1,1,0,0,0|1,0,1]=4 1165 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [0,1,1,0,0,0|1,0,1]=4 1166 B7R0.3 C[C@H](CO)NCCF 2230a_100000737577_100011217306 [0,1,1,0,0,0|1,0,0]=3 1167 B7R0.3 C[C@H](CO)NCCO 2230a_100000737577_100000211926 [0,1,1,0,0,0|1,0,0]=3 1168 B7R0.3 C[C@H](CO)SCC#N 62a_100011215382_100016084084 [0,1,1,0,0,0|0,1,1]=4 1169 B7R0.3 C[C@H](CO)SCC#N 62a_100016084084_100011215382 [0,1,1,0,0,0|0,1,1]=4 1170 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [0,1,1,0,0,0|0,1,1]=4 1171 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [0,1,1,0,0,0|0,1,1]=4 1172 B7R0.3 C[C@H](CO)SCCF 62a_100011217306_100016084084 [0,1,1,0,0,0|0,1,0]=3 1173 B7R0.3 C[C@H](CO)SCCF 62a_100016084084_100011217306 [0,1,1,0,0,0|0,1,0]=3 1174 B7R0.3 C[C@H](CO)SCCO 62a_100000211926_100016084084 [0,1,1,0,0,0|0,1,0]=3 1175 B7R0.3 C[C@H](CO)SCCO 62a_100016084084_100000211926 [0,1,1,0,0,0|0,1,0]=3 1176 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [0,1,1,0,0,0|0,0,2]=4 1177 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [0,1,1,0,0,0|0,0,2]=4 1178 B7R0.3 OCC(O)CSCF 62a_100011219619_100015361967 [0,1,1,0,0,0|1,0,0]=3 1179 B7R0.3 OCC(O)CSCF 62a_100015361967_100011219619 [0,1,1,0,0,0|1,0,0]=3 1180 B7R0.3 OC[C@H](F)CNCF 34a_100015665980_100015361967 [0,1,1,0,0,0|2,0,0]=4 1181 B7R0.3 OC[C@H](O)CSCF 62a_100009815848_100015361967 [0,1,1,0,0,0|1,0,0]=3 1182 B7R0.3 OC[C@H](O)CSCF 62a_100015361967_100009815848 [0,1,1,0,0,0|1,0,0]=3 1183 B7R0.3 O[C@@H](CF)CSCF 62a_100015361967_100015614560 [0,1,1,0,0,0|2,0,0]=4 1184 B7R0.3 O[C@@H](CF)CSCF 62a_100015614560_100015361967 [0,1,1,0,0,0|2,0,0]=4 1185 B7R0.5 CC(C)C(C)OCF 7a_100000748068_100015361967 [0,1,1,0,0,0|2,0,0]=4 1186 B7R0.5 CC(C)C(O)CN[13CH3] 2230a_100000759067_200025704644 [0,1,1,0,0,0|2,0,0]=4 1187 B7R0.5 CC(C)C(O)CN[13CH3] 34a_100000759067_200025704644 [0,1,1,0,0,0|2,0,0]=4 1188 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [0,1,1,0,0,0|0,0,2]=4 1189 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,1,1,0,0,0|0,0,2]=4 1190 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,1,1,0,0,0|0,0,2]=4 1191 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,1,1,0,0,0|0,0,2]=4 1192 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,1,1,0,0,0|0,0,2]=4 1193 B7R0.5 CCNC(C)C(C)C 2230a_100000211541_100000210202 [0,1,1,0,0,0|2,0,0]=4 1194 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [0,1,1,0,0,0|1,0,1]=4 1195 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,1,1,0,0,0|0,0,2]=4 1196 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,1,1,0,0,0|0,0,2]=4 1197 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [0,1,1,0,0,0|0,0,2]=4 1198 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,1,1,0,0,0|0,0,2]=4 1199 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [0,1,1,0,0,0|1,0,0]=3 1200 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [0,1,1,0,0,0|0,0,2]=4 1201 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [0,1,1,0,0,0|0,0,2]=4 1202 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [0,1,1,0,0,0|0,0,2]=4 1203 B7R0.5 CNCC(O)C(C)C 2230a_100000759067_200000210301 [0,1,1,0,0,0|2,0,0]=4 1204 B7R0.5 CNCC(O)C(C)C 34a_100000759067_200000210301 [0,1,1,0,0,0|2,0,0]=4 1205 B7R0.7 C#CCC(C)OCC 34a_100000685586_100000210202 [0,1,1,0,0,0|1,0,0]=3 1206 B7R0.7 C#CCC(C)OCC 7a_100000685586_100000210202 [0,1,1,0,0,0|1,0,0]=3 1207 B7R0.7 C#CCC(C)OCF 34a_100000685586_100015361967 [0,1,1,0,0,0|2,0,0]=4 1208 B7R0.7 C#CCC(C)OCF 7a_100000685586_100015361967 [0,1,1,0,0,0|2,0,0]=4 1209 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [0,1,1,0,0,0|1,0,1]=4 1210 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [0,1,1,0,0,0|1,0,0]=3 1211 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [0,1,1,0,0,0|1,0,0]=3 1212 B7R0.7 C=CC[C@@H](C)OCF 34a_100000731007_100015361967 [0,1,1,0,0,0|2,0,0]=4 1213 B7R0.7 C=CC[C@@H](C)OCF 7a_100000731007_100015361967 [0,1,1,0,0,0|2,0,0]=4 1214 B7R0.7 CC#CC(C)OCC 34a_100011216543_100000210202 [0,1,1,0,0,0|1,0,1]=4 1215 B7R0.7 CC(CCBr)OCF 34a_100012276601_100015361967 [0,1,1,0,0,0|2,0,0]=4 1216 B7R0.7 CC(CCN)CO[13CH3] 34a_106354213184_200025704644 [0,1,1,0,0,0|2,0,0]=4 1217 B7R0.7 CC(CCO)SCF 62a_100009893172_100015361967 [0,1,1,0,0,0|1,1,0]=4 1218 B7R0.7 CC(CCO)SCF 62a_100015361967_100009893172 [0,1,1,0,0,0|1,1,0]=4 1219 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [0,1,1,0,0,0|0,0,2]=4 1220 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [0,1,1,0,0,0|0,0,2]=4 1221 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [0,1,1,0,0,0|0,0,2]=4 1222 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [0,1,1,0,0,0|2,0,0]=4 1223 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [0,1,1,0,0,0|2,0,0]=4 1224 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [0,1,1,0,0,0|2,0,0]=4 1225 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [0,1,1,0,0,0|2,0,0]=4 1226 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [0,1,1,0,0,0|1,0,0]=3 1227 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [0,1,1,0,0,0|1,0,0]=3 1228 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [0,1,1,0,0,0|1,0,0]=3 1229 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [0,1,1,0,0,0|1,0,0]=3 1230 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [0,1,1,0,0,0|1,0,0]=3 1231 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [0,1,1,0,0,0|1,1,0]=4 1232 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [0,1,1,0,0,0|1,1,0]=4 1233 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [0,1,1,0,0,0|1,1,0]=4 1234 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [0,1,1,0,0,0|1,1,0]=4 1235 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [0,1,1,0,0,0|2,0,0]=4 1236 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [0,1,1,0,0,0|2,0,0]=4 1237 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [0,1,1,0,0,0|2,0,0]=4 1238 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [0,1,1,0,0,0|1,0,0]=3 1239 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [0,1,1,0,0,0|1,0,0]=3 1240 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [0,1,1,0,0,0|1,0,0]=3 1241 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [0,1,1,0,0,0|2,0,0]=4 1242 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [0,1,1,0,0,0|2,0,0]=4 1243 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [0,1,1,0,0,0|1,1,0]=4 1244 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [0,1,1,0,0,0|1,1,0]=4 1245 B7R0.7 CCCC(C)SCF 62a_100000766640_100015361967 [0,1,1,0,0,0|2,0,0]=4 1246 B7R0.7 CCCC(C)SCF 62a_100015361967_100000766640 [0,1,1,0,0,0|2,0,0]=4 1247 B7R0.7 CCCN(C)CCO 2230a_100000210263_100000210303 [0,1,1,0,0,0|2,0,0]=4 1248 B7R0.7 CCCN(C)CCO 2230a_100000211420_200000210301 [0,1,1,0,0,0|2,0,0]=4 1249 B7R0.7 CCCN(C)CCO 2230a_100000747261_100000211926 [0,1,1,0,0,0|2,0,0]=4 1250 B7R0.7 CCCN(C)CCO 269982a_100000210263_100000210303 [0,1,1,0,0,0|2,0,0]=4 1251 B7R0.7 CCCN(C)CCO 269982a_100000211420_200000210301 [0,1,1,0,0,0|2,0,0]=4 1252 B7R0.7 CCCN(C)CCO 269982a_100000747261_100000211926 [0,1,1,0,0,0|2,0,0]=4 1253 B7R0.7 CCCN(C)COC 2230a_100000747261_100000766300 [0,1,1,0,0,0|2,0,0]=4 1254 B7R0.7 CCCN(C)COC 269982a_100000747261_100000766300 [0,1,1,0,0,0|2,0,0]=4 1255 B7R0.7 CCCN([13CH3])CCO 2230a_100000211420_200025704644 [0,1,1,0,0,0|2,0,0]=4 1256 B7R0.7 CCCN([13CH3])CCO 269982a_100000211420_200025704644 [0,1,1,0,0,0|2,0,0]=4 1257 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [0,1,1,0,0,0|1,0,0]=3 1258 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [0,1,1,0,0,0|1,0,0]=3 1259 B7R0.7 CCNC(C)CC#N 2230a_100015525214_100009813641 [0,1,1,0,0,0|2,0,0]=4 1260 B7R0.7 CCNC(C)CCO 2230a_100015525214_100009893172 [0,1,1,0,0,0|1,0,0]=3 1261 B7R0.7 CCNC(C)COC 2230a_100015525214_100000765312 [0,1,1,0,0,0|1,0,0]=3 1262 B7R0.7 CCNC(C)COC 270004a_100015525214_100000749346 [0,1,1,0,0,0|1,0,0]=3 1263 B7R0.7 CCNC(C)CSC 270004a_100015525214_100011216314 [0,1,1,0,0,0|1,1,0]=4 1264 B7R0.7 CCN[C@@H](C)CC#N 2230a_100016994482_100000210202 [0,1,1,0,0,0|2,0,0]=4 1265 B7R0.7 CCN[C@H](C)CCO 2230a_100000706166_100000210202 [0,1,1,0,0,0|1,0,0]=3 1266 B7R0.7 CCN[C@H](C)CCO 34a_100000706166_100000210202 [0,1,1,0,0,0|1,0,0]=3 1267 B7R0.7 CCN[C@H](C)COC 2230a_100000764878_100000210202 [0,1,1,0,0,0|1,0,0]=3 1268 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [0,1,1,0,0,0|1,0,1]=4 1269 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [0,1,1,0,0,0|1,0,0]=3 1270 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [0,1,1,0,0,0|0,0,0]=2 1271 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [0,1,1,0,0,0|0,0,0]=2 1272 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [0,1,1,0,0,0|0,0,0]=2 1273 B7R0.7 CCSC(C)CC#N 62a_100000210202_100009813641 [0,1,1,0,0,0|1,1,0]=4 1274 B7R0.7 CCSC(C)CC#N 62a_100009813641_100000210202 [0,1,1,0,0,0|1,1,0]=4 1275 B7R0.7 CCSC(C)CCO 62a_100000210202_100009893172 [0,1,1,0,0,0|0,1,0]=3 1276 B7R0.7 CCSC(C)CCO 62a_100009893172_100000210202 [0,1,1,0,0,0|0,1,0]=3 1277 B7R0.7 CCSC(C)COC 62a_100000210202_100000765312 [0,1,1,0,0,0|0,1,0]=3 1278 B7R0.7 CCSC(C)COC 62a_100000765312_100000210202 [0,1,1,0,0,0|0,1,0]=3 1279 B7R0.7 CNCC(O)COC 2230a_100000756049_200000210301 [0,1,1,0,0,0|1,0,0]=3 1280 B7R0.7 CNCC(O)COC 34a_100000756049_200000210301 [0,1,1,0,0,0|1,0,0]=3 1281 B7R0.7 CNCC(O)COC 34a_100102657272_100011215053 [0,1,1,0,0,0|1,0,0]=3 1282 B7R0.7 CNCC(O)COC 7a_106832991635_100011215053 [0,1,1,0,0,0|1,0,0]=3 1283 B7R0.7 CNC[C@@H](O)CC#N 2230a_106832991635_100000001066 [0,1,1,0,0,0|2,0,0]=4 1284 B7R0.7 CNC[C@@H](O)CC#N 7a_106832991635_100000001066 [0,1,1,0,0,0|2,0,0]=4 1285 B7R0.7 COCC(C)CCN 34a_106354213184_200000210301 [0,1,1,0,0,0|2,0,0]=4 1286 B7R0.7 COCC(C)SCF 62a_100000765312_100015361967 [0,1,1,0,0,0|1,1,0]=4 1287 B7R0.7 COCC(C)SCF 62a_100015361967_100000765312 [0,1,1,0,0,0|1,1,0]=4 1288 B7R0.7 COCC(N)COC 34a_100000724102_200000210301 [0,1,1,0,0,0|2,0,0]=4 1289 B7R0.7 COCC(N)CO[13CH3] 34a_100000724102_200025704644 [0,1,1,0,0,0|2,0,0]=4 1290 B7R0.7 COCC(O)CN[13CH3] 2230a_100000756049_200025704644 [0,1,1,0,0,0|1,0,0]=3 1291 B7R0.7 COCC(O)CN[13CH3] 34a_100000756049_200025704644 [0,1,1,0,0,0|1,0,0]=3 1292 B7R0.7 COCC(O)COC 34a_100138415774_100011215053 [0,1,1,0,0,0|1,0,0]=3 1293 B7R0.7 COCC(O)CSC 62a_100011215053_200000210301 [0,1,1,0,0,0|1,0,0]=3 1294 B7R0.7 COCC(O)CSC 62a_200000210301_100011215053 [0,1,1,0,0,0|1,0,0]=3 1295 B7R0.7 COCC(O)CS[13CH3] 62a_100011215053_200025704644 [0,1,1,0,0,0|1,0,0]=3 1296 B7R0.7 COCC(O)CS[13CH3] 62a_200025704644_100011215053 [0,1,1,0,0,0|1,0,0]=3 1297 B7R0.7 COC[C@@H](C)OCF 34a_100011934205_100015361967 [0,1,1,0,0,0|1,0,0]=3 1298 B7R0.7 CSC[C@@H](O)CC#N 62a_100000001066_200000210301 [0,1,1,0,0,0|2,0,0]=4 1299 B7R0.7 CSC[C@@H](O)CC#N 62a_200000210301_100000001066 [0,1,1,0,0,0|2,0,0]=4 1300 B7R0.7 C[C@H](CCO)NCF 34a_100000706166_100015361967 [0,1,1,0,0,0|2,0,0]=4 1301 B7R0.7 [13CH3]SC[C@@H](O)CC#N 62a_100000001066_200025704644 [0,1,1,0,0,0|2,0,0]=4 1302 B7R0.7 [13CH3]SC[C@@H](O)CC#N 62a_200025704644_100000001066 [0,1,1,0,0,0|2,0,0]=4 1303 B7R0.10 CC(CO)N(C)CF 269982a_100000693034_100015361967 [0,1,1,0,0,0|2,0,0]=4 1304 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,1,1,0,0,0|2,0,0]=4 1305 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,1,1,0,0,0|2,0,0]=4 1306 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,1,1,0,0,0|1,0,1]=4 1307 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [0,1,1,0,0,0|0,0,1]=3 1308 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,1,1,0,0,0|0,0,2]=4 1309 B7R0.10 CCC(C)N(C)CC 2230a_100000225621_100000758301 [0,1,1,0,0,0|2,0,0]=4 1310 B7R0.10 CCC(C)N(C)CC 2230a_100000732650_200000210301 [0,1,1,0,0,0|2,0,0]=4 1311 B7R0.10 CCC(C)N(C)CC 2230a_100000741768_100000210202 [0,1,1,0,0,0|2,0,0]=4 1312 B7R0.10 CCC(C)N(C)CC 269982a_100000225621_100000758301 [0,1,1,0,0,0|2,0,0]=4 1313 B7R0.10 CCC(C)N(C)CC 269982a_100000732650_200000210301 [0,1,1,0,0,0|2,0,0]=4 1314 B7R0.10 CCC(C)N(C)CC 269982a_100000741768_100000204670 [0,1,1,0,0,0|2,0,0]=4 1315 B7R0.10 CCC(C)N([13CH3])CC 2230a_100000732650_200025704644 [0,1,1,0,0,0|2,0,0]=4 1316 B7R0.10 CCC(C)N([13CH3])CC 269982a_100000732650_200025704644 [0,1,1,0,0,0|2,0,0]=4 1317 B7R0.10 CCN(C)C(C)CO 2230a_100000225621_100012180447 [0,1,1,0,0,0|1,0,0]=3 1318 B7R0.10 CCN(C)C(C)CO 2230a_100000693034_100000210202 [0,1,1,0,0,0|1,0,0]=3 1319 B7R0.10 CCN(C)C(C)CO 2230a_100000731049_200000210301 [0,1,1,0,0,0|1,0,0]=3 1320 B7R0.10 CCN(C)C(C)CO 269982a_100000693034_100000204670 [0,1,1,0,0,0|1,0,0]=3 1321 B7R0.10 CCN(C)C(C)CO 269982a_100000731049_200000210301 [0,1,1,0,0,0|1,0,0]=3 1322 B7R0.10 CCN(C)[C@H](C)CO 269982a_100000225621_100016084084 [0,1,1,0,0,0|1,0,0]=3 1323 B7R0.10 CCN([13CH3])C(C)CO 2230a_100000731049_200025704644 [0,1,1,0,0,0|1,0,0]=3 1324 B7R0.10 CCN([13CH3])C(C)CO 269982a_100000731049_200025704644 [0,1,1,0,0,0|1,0,0]=3 1325 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [0,1,1,0,0,0|1,0,1]=4 1326 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [0,1,1,0,0,0|1,0,1]=4 1327 B7R0.11 C#CC(C)(C)OCC 34a_100000189450_100000210202 [0,1,1,0,0,0|1,0,1]=4 1328 B7R0.11 C#CC(C)(C)OCC 34a_100121572206_100000038118 [0,1,1,0,0,0|1,0,1]=4 1329 B7R0.11 C#CC(C)(C)OCC 7a_100000189450_100000210202 [0,1,1,0,0,0|1,0,1]=4 1330 B7R0.11 C=CC(C)(C)OCC 34a_100011215311_100000210202 [0,1,1,0,0,0|1,0,1]=4 1331 B7R0.11 C=CC(C)(C)OCC 7a_100011215311_100000210202 [0,1,1,0,0,0|1,0,1]=4 1332 B7R0.11 CC(C)(CCl)OCF 7a_100000764493_100015361967 [0,1,1,0,0,0|2,0,0]=4 1333 B7R0.11 CC(C)(CO)CN[13CH3] 2230a_100020635058_200025704644 [0,1,1,0,0,0|2,0,0]=4 1334 B7R0.11 CC(C)(CO)CS[13CH3] 62a_100009813988_200025704644 [0,1,1,0,0,0|2,0,0]=4 1335 B7R0.11 CC(C)(CO)CS[13CH3] 62a_200025704644_100009813988 [0,1,1,0,0,0|2,0,0]=4 1336 B7R0.11 CCC(C)(C)OCF 7a_100000210230_100015361967 [0,1,1,0,0,0|2,0,0]=4 1337 B7R0.11 CCNC(C)(C)CC 2230a_100000211385_100000210202 [0,1,1,0,0,0|2,0,0]=4 1338 B7R0.11 CCNC(C)(C)CO 2230a_100000210608_100000210202 [0,1,1,0,0,0|1,0,0]=3 1339 B7R0.11 CCOC(C)(C)C#N 34a_100121572206_100011162410 [0,1,1,0,0,0|1,0,1]=4 1340 B7R0.11 CCOC(C)(C)C#N 34a_200015195151_100000210202 [0,1,1,0,0,0|1,0,1]=4 1341 B7R0.11 CCOC(C)(C)CC 7a_100000210230_100000210202 [0,1,1,0,0,0|1,0,0]=3 1342 B7R0.11 CCOC(C)(C)CCl 7a_100000764493_100000210202 [0,1,1,0,0,0|1,0,0]=3 1343 B7R0.11 CCSC(C)(C)CC 62a_100000032637_100000210202 [0,1,1,0,0,0|1,1,0]=4 1344 B7R0.11 CCSC(C)(C)CC 62a_100000210202_100000032637 [0,1,1,0,0,0|1,1,0]=4 1345 B7R0.11 CCSC(F)(F)CO 62a_100000210202_100011217949 [0,1,1,0,0,0|1,1,0]=4 1346 B7R0.11 CCSC(F)(F)CO 62a_100011217949_100000210202 [0,1,1,0,0,0|1,1,0]=4 1347 B7R0.11 CNCC(C)(C)CO 2230a_100020635058_200000210301 [0,1,1,0,0,0|2,0,0]=4 1348 B7R0.11 CNCC(C)(C)CO 34a_100102657272_100009813988 [0,1,1,0,0,0|2,0,0]=4 1349 B7R0.11 CNCC(C)(C)CO 7a_106832991635_100009813988 [0,1,1,0,0,0|2,0,0]=4 1350 B7R0.11 COCC(C)(C)CO 34a_100138415774_100009813988 [0,1,1,0,0,0|2,0,0]=4 1351 B7R0.11 CSCC(C)(C)CO 62a_100009813988_200000210301 [0,1,1,0,0,0|2,0,0]=4 1352 B7R0.11 CSCC(C)(C)CO 62a_200000210301_100009813988 [0,1,1,0,0,0|2,0,0]=4 1353 B7R0.12 C#CC(CC)OCC 34a_100000758843_100000210202 [0,1,1,0,0,0|1,0,1]=4 1354 B7R0.12 C#CC(CC)OCC 7a_100000758843_100000210202 [0,1,1,0,0,0|1,0,1]=4 1355 B7R0.12 C#CC(CCC)OC 34a_200011217317_200000210301 [0,1,1,0,0,0|1,0,1]=4 1356 B7R0.12 C#CC(CCC)OC 7a_200011217317_200000210301 [0,1,1,0,0,0|1,0,1]=4 1357 B7R0.12 C#CC(CCC)O[13CH3] 34a_200011217317_200025704644 [0,1,1,0,0,0|1,0,1]=4 1358 B7R0.12 C#CC(CCC)O[13CH3] 7a_200011217317_200025704644 [0,1,1,0,0,0|1,0,1]=4 1359 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [0,1,1,0,0,0|1,0,1]=4 1360 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [0,1,1,0,0,0|1,0,1]=4 1361 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [0,1,1,0,0,0|1,0,1]=4 1362 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [0,1,1,0,0,0|1,0,1]=4 1363 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [0,1,1,0,0,0|1,0,1]=4 1364 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [0,1,1,0,0,0|1,0,1]=4 1365 B7R0.12 C=C[C@@H](CO)NCC 2230a_100016989147_100000210202 [0,1,1,0,0,0|1,0,1]=4 1366 B7R0.12 C=C[C@@H](CO)NCC 34a_100016989147_100000210202 [0,1,1,0,0,0|1,0,1]=4 1367 B7R0.12 CCC(CC)OCF 7a_100000688536_100015361967 [0,1,1,0,0,0|2,0,0]=4 1368 B7R0.12 CCC(COC)OC 34a_100011934954_200000210301 [0,1,1,0,0,0|2,0,0]=4 1369 B7R0.12 CCC(COC)OC 7a_100011934954_200000210301 [0,1,1,0,0,0|2,0,0]=4 1370 B7R0.12 CCC(COC)OC 7a_200011214946_200000210301 [0,1,1,0,0,0|2,0,0]=4 1371 B7R0.12 CCC(COC)O[13CH3] 7a_200011214946_200025704644 [0,1,1,0,0,0|2,0,0]=4 1372 B7R0.12 CCC(CO[13CH3])OC 34a_100011934954_200025704644 [0,1,1,0,0,0|2,0,0]=4 1373 B7R0.12 CCC(CO[13CH3])OC 7a_100011934954_200025704644 [0,1,1,0,0,0|2,0,0]=4 1374 B7R0.12 CCCC(C#N)OC 34a_100000686963_200000210301 [0,1,1,0,0,0|1,0,1]=4 1375 B7R0.12 CCCC(C#N)OC 7a_100000686963_200000210301 [0,1,1,0,0,0|1,0,1]=4 1376 B7R0.12 CCCC(C#N)O[13CH3] 34a_100000686963_200025704644 [0,1,1,0,0,0|1,0,1]=4 1377 B7R0.12 CCCC(C#N)O[13CH3] 7a_100000686963_200025704644 [0,1,1,0,0,0|1,0,1]=4 1378 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [0,1,1,0,0,0|2,0,0]=4 1379 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [0,1,1,0,0,0|2,0,0]=4 1380 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [0,1,1,0,0,0|2,0,0]=4 1381 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [0,1,1,0,0,0|2,0,0]=4 1382 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [0,1,1,0,0,0|1,0,0]=3 1383 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [0,1,1,0,0,0|1,0,0]=3 1384 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [0,1,1,0,0,0|1,0,0]=3 1385 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [0,1,1,0,0,0|1,0,0]=3 1386 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [0,1,1,0,0,0|1,1,0]=4 1387 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [0,1,1,0,0,0|1,1,0]=4 1388 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [0,1,1,0,0,0|1,1,0]=4 1389 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [0,1,1,0,0,0|1,1,0]=4 1390 B7R0.12 CCC[C@@H](CO)NC 2230a_100000732646_200000210301 [0,1,1,0,0,0|1,0,0]=3 1391 B7R0.12 CCC[C@@H](CO)NC 34a_100000732646_200000210301 [0,1,1,0,0,0|1,0,0]=3 1392 B7R0.12 CCC[C@@H](CO)N[13CH3] 2230a_100000732646_200025704644 [0,1,1,0,0,0|1,0,0]=3 1393 B7R0.12 CCC[C@@H](CO)N[13CH3] 34a_100000732646_200025704644 [0,1,1,0,0,0|1,0,0]=3 1394 B7R0.12 CCNC(CC)CC 2230a_100000199018_100000210202 [0,1,1,0,0,0|2,0,0]=4 1395 B7R0.12 CCNC(CC)CC 270004a_100015525214_100000210860 [0,1,1,0,0,0|2,0,0]=4 1396 B7R0.12 CCNC(CO)CO 2230a_100000759517_100000210202 [0,1,1,0,0,0|1,0,0]=3 1397 B7R0.12 CCN[C@@H](CC)CO 2230a_100000709445_100000210202 [0,1,1,0,0,0|1,0,0]=3 1398 B7R0.12 CCOC(CC)CC 7a_100000688536_100000210202 [0,1,1,0,0,0|1,0,0]=3 1399 B7R0.12 CCOC(CCl)CCl 7a_100000737055_100000210202 [0,1,1,0,0,0|1,0,0]=3 1400 B7R0.12 CCOC(CF)CF 34a_100000032261_100000210202 [0,1,1,0,0,0|1,0,0]=3 1401 B7R0.12 CCOC(CF)CF 7a_100000032261_100000210202 [0,1,1,0,0,0|1,0,0]=3 1402 B7R0.12 CCOC(CN)CN 34a_100000031598_100000210202 [0,1,1,0,0,0|1,0,0]=3 1403 B7R0.12 CCO[C@@H](CF)CCl 34a_100015614560_100000210202 [0,1,1,0,0,0|1,0,0]=3 1404 B7R0.12 CCO[C@@H](CF)CCl 7a_100015614560_100000210202 [0,1,1,0,0,0|1,0,0]=3 1405 B7R0.12 CCSC(CC)CC 62a_100000210202_100000210505 [0,1,1,0,0,0|1,1,0]=4 1406 B7R0.12 CCSC(CC)CC 62a_100000210505_100000210202 [0,1,1,0,0,0|1,1,0]=4 1407 B7R0.12 CNC(CO)COC 2230a_100000724102_200000210301 [0,1,1,0,0,0|2,0,0]=4 1408 B7R0.12 CNC(CO)COC 34a_100000724102_200000210301 [0,1,1,0,0,0|2,0,0]=4 1409 B7R0.12 COCC(CCl)OC 34a_100011215053_200000210301 [0,1,1,0,0,0|2,0,0]=4 1410 B7R0.12 COCC(CCl)O[13CH3] 34a_100011215053_200025704644 [0,1,1,0,0,0|2,0,0]=4 1411 B7R0.12 COCC(CN)OC 34a_100000756049_200000210301 [0,1,1,0,0,0|2,0,0]=4 1412 B7R0.12 COCC(CN)O[13CH3] 34a_100000756049_200025704644 [0,1,1,0,0,0|2,0,0]=4 1413 B7R0.12 COCC(CO)N[13CH3] 2230a_100000724102_200025704644 [0,1,1,0,0,0|2,0,0]=4 1414 B7R0.12 COCC(CO)N[13CH3] 34a_100000724102_200025704644 [0,1,1,0,0,0|2,0,0]=4 1415 B7R0.12 FCOC(CCl)CCl 7a_100000737055_100015361967 [0,1,1,0,0,0|2,0,0]=4 1416 B7R0.12 FCOC(CF)CF 34a_100000032261_100015361967 [0,1,1,0,0,0|2,0,0]=4 1417 B7R0.12 FCOC(CF)CF 7a_100000032261_100015361967 [0,1,1,0,0,0|2,0,0]=4 1418 B7R0.12 FCO[C@@H](CF)CCl 34a_100015614560_100015361967 [0,1,1,0,0,0|2,0,0]=4 1419 B7R0.12 FCO[C@@H](CF)CCl 7a_100015614560_100015361967 [0,1,1,0,0,0|2,0,0]=4 1420 B7R0.12 NCC(CN)OCF 34a_100000031598_100015361967 [0,1,1,0,0,0|2,0,0]=4 1421 B7R0.1 C#CCCCCOC 34a_100000766709_200000210301 [0,1,1,0,0,0|1,0,1]=4 1422 B7R0.1 C#CCCCCOC 34a_100138415774_100010269958 [0,1,1,0,0,0|1,0,1]=4 1423 B7R0.1 C#CCCCCOC 7a_100000766709_200000210301 [0,1,1,0,0,0|1,0,1]=4 1424 B7R0.1 C#CCCCCO[13CH3] 34a_100000766709_200025704644 [0,1,1,0,0,0|1,0,1]=4 1425 B7R0.1 C#CCCCCO[13CH3] 7a_100000766709_200025704644 [0,1,1,0,0,0|1,0,1]=4 1426 B7R0.1 C#CCCNCCC 34a_100000755551_100000210303 [0,1,1,0,0,0|2,0,0]=4 1427 B7R0.1 C#CCCNCCO 2230a_100016997473_100000688953 [0,1,1,0,0,0|1,0,1]=4 1428 B7R0.1 C#CCCNCCO 34a_100000755551_100000211926 [0,1,1,0,0,0|1,0,1]=4 1429 B7R0.1 C#CCCNCCO 34a_100016990907_100000688953 [0,1,1,0,0,0|1,0,1]=4 1430 B7R0.1 C#CCCOCCBr 34a_100000211926_100000688953 [0,1,1,0,0,0|1,0,1]=4 1431 B7R0.1 C#CCCOCCC 34a_100000210258_100000688953 [0,1,1,0,0,0|1,0,0]=3 1432 B7R0.1 C#CCCOCCC 34a_100011215631_100000210303 [0,1,1,0,0,0|1,0,0]=3 1433 B7R0.1 C#CCCOCCF 34a_100011215631_100011217306 [0,1,1,0,0,0|1,0,1]=4 1434 B7R0.1 C#CCCOCCN 34a_100000210304_100000688953 [0,1,1,0,0,0|1,0,1]=4 1435 B7R0.1 C#CCCOCCO 34a_100011215631_100000211926 [0,1,1,0,0,0|0,0,1]=3 1436 B7R0.1 C#CCCOCSC 34a_100011215631_100011218213 [0,1,1,0,0,0|2,0,0]=4 1437 B7R0.1 C#CCCSCCC 62a_100000210303_100000688953 [0,1,1,0,0,0|1,1,0]=4 1438 B7R0.1 C#CCCSCCC 62a_100000688953_100000210303 [0,1,1,0,0,0|1,1,0]=4 1439 B7R0.1 C#CCCSCCO 62a_100000211926_100000688953 [0,1,1,0,0,0|0,1,1]=4 1440 B7R0.1 C#CCCSCCO 62a_100000688953_100000211926 [0,1,1,0,0,0|0,1,1]=4 1441 B7R0.1 C#CCNCCCO 34a_100000212058_100000230001 [0,1,1,0,0,0|1,0,1]=4 1442 B7R0.1 C#CCOCCCBr 34a_100011217188_100000184674 [0,1,1,0,0,0|1,0,1]=4 1443 B7R0.1 C#CCOCCCC 34a_100000210227_100000184674 [0,1,1,0,0,0|1,0,1]=4 1444 B7R0.1 C#CCOCCCC 34a_100000210247_100000210210 [0,1,1,0,0,0|1,0,1]=4 1445 B7R0.1 C#CCOCCCC 7a_100000210227_100000038162 [0,1,1,0,0,0|1,0,1]=4 1446 B7R0.1 C#CCOCCCCl 34a_100000230001_100000184674 [0,1,1,0,0,0|1,0,1]=4 1447 B7R0.1 C#CCOCCCF 34a_100000210247_100011934791 [0,1,1,0,0,0|1,0,1]=4 1448 B7R0.1 C#CCOCCCF 34a_100000759539_100000184674 [0,1,1,0,0,0|1,0,1]=4 1449 B7R0.1 C#CCOCCCN 34a_100000182051_100000184674 [0,1,1,0,0,0|1,0,1]=4 1450 B7R0.1 C#CCOCCCO 34a_100000210247_100000230001 [0,1,1,0,0,0|0,0,2]=4 1451 B7R0.1 C#CCOCCNC 2230a_100000700922_200000210301 [0,1,1,0,0,0|1,0,1]=4 1452 B7R0.1 C#CCOCCNC 2230a_106832991635_100010402529 [0,1,1,0,0,0|1,0,1]=4 1453 B7R0.1 C#CCOCCNC 34a_100000700922_200000210301 [0,1,1,0,0,0|1,0,1]=4 1454 B7R0.1 C#CCOCCNC 34a_100102657272_100010402529 [0,1,1,0,0,0|1,0,1]=4 1455 B7R0.1 C#CCOCCNC 7a_106832991635_100010402529 [0,1,1,0,0,0|1,0,1]=4 1456 B7R0.1 C#CCOCCN[13CH3] 2230a_100000700922_200025704644 [0,1,1,0,0,0|1,0,1]=4 1457 B7R0.1 C#CCOCCN[13CH3] 34a_100000700922_200025704644 [0,1,1,0,0,0|1,0,1]=4 1458 B7R0.1 C#CCOCCOC 34a_100000054580_200000210301 [0,1,1,0,0,0|0,0,2]=4 1459 B7R0.1 C#CCOCCOC 34a_100000210237_100000184674 [0,1,1,0,0,0|0,0,2]=4 1460 B7R0.1 C#CCOCCOC 34a_100000210247_100011201679 [0,1,1,0,0,0|0,0,2]=4 1461 B7R0.1 C#CCOCCOC 34a_100138415774_100010402529 [0,1,1,0,0,0|0,0,2]=4 1462 B7R0.1 C#CCOCCOC 7a_100000054580_200000210301 [0,1,1,0,0,0|0,0,2]=4 1463 B7R0.1 C#CCOCCON 34a_100000700252_100000184674 [0,1,1,0,0,0|0,0,2]=4 1464 B7R0.1 C#CCOCCO[13CH3] 34a_100000054580_200025704644 [0,1,1,0,0,0|0,0,2]=4 1465 B7R0.1 C#CCOCCO[13CH3] 7a_100000054580_200025704644 [0,1,1,0,0,0|0,0,2]=4 1466 B7R0.1 C#CCOCCSC 34a_100000210247_100000212216 [0,1,1,0,0,0|1,0,1]=4 1467 B7R0.1 C#CCOCCSC 34a_100000230434_100000184674 [0,1,1,0,0,0|1,0,1]=4 1468 B7R0.1 C#CCOCCSC 62a_100010402529_200000210301 [0,1,1,0,0,0|1,0,1]=4 1469 B7R0.1 C#CCOCCSC 62a_200000210301_100010402529 [0,1,1,0,0,0|1,0,1]=4 1470 B7R0.1 C#CCOCCSC 7a_100000230434_100000038162 [0,1,1,0,0,0|1,0,1]=4 1471 B7R0.1 C#CCOCCS[13CH3] 62a_100010402529_200025704644 [0,1,1,0,0,0|1,0,1]=4 1472 B7R0.1 C#CCOCCS[13CH3] 62a_200025704644_100010402529 [0,1,1,0,0,0|1,0,1]=4 1473 B7R0.1 C#CCSCCCO 62a_100000038162_100011215043 [0,1,1,0,0,0|1,0,1]=4 1474 B7R0.1 C/C=C/CNCCO 34a_100016990907_100102629194 [0,1,1,0,0,0|1,0,1]=4 1475 B7R0.1 C/C=C/COCCBr 34a_100000211926_100102629194 [0,1,1,0,0,0|1,0,1]=4 1476 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [0,1,1,0,0,0|1,0,1]=4 1477 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [0,1,1,0,0,0|1,0,1]=4 1478 B7R0.1 C/C=C/COCCF 34a_100016270725_100011217306 [0,1,1,0,0,0|1,0,1]=4 1479 B7R0.1 C/C=C/COCCN 34a_100000210304_100102629194 [0,1,1,0,0,0|1,0,1]=4 1480 B7R0.1 C/C=C/COCCO 34a_100016270725_100000211926 [0,1,1,0,0,0|0,0,1]=3 1481 B7R0.1 C/C=C/CSCCO 62a_100000211926_100102629194 [0,1,1,0,0,0|0,1,1]=4 1482 B7R0.1 C/C=C/CSCCO 62a_100102629194_100000211926 [0,1,1,0,0,0|0,1,1]=4 1483 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [0,1,1,0,0,0|1,0,1]=4 1484 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [0,1,1,0,0,0|1,0,1]=4 1485 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [0,1,1,0,0,0|1,0,1]=4 1486 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [0,1,1,0,0,0|1,0,1]=4 1487 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [0,1,1,0,0,0|1,0,1]=4 1488 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [0,1,1,0,0,0|2,0,0]=4 1489 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [0,1,1,0,0,0|1,0,1]=4 1490 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [0,1,1,0,0,0|1,0,1]=4 1491 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [0,1,1,0,0,0|1,0,1]=4 1492 B7R0.1 C=CCCOCCBr 34a_100000211926_100000754431 [0,1,1,0,0,0|1,0,1]=4 1493 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [0,1,1,0,0,0|1,0,0]=3 1494 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [0,1,1,0,0,0|1,0,0]=3 1495 B7R0.1 C=CCCOCCF 34a_100011205117_100011217306 [0,1,1,0,0,0|1,0,1]=4 1496 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [0,1,1,0,0,0|1,0,1]=4 1497 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [0,1,1,0,0,0|0,0,1]=3 1498 B7R0.1 C=CCCOCSC 34a_100011205117_100011218213 [0,1,1,0,0,0|2,0,0]=4 1499 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [0,1,1,0,0,0|1,1,0]=4 1500 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [0,1,1,0,0,0|1,1,0]=4 1501 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [0,1,1,0,0,0|0,1,1]=4 1502 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [0,1,1,0,0,0|0,1,1]=4 1503 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [0,1,1,0,0,0|1,0,1]=4 1504 B7R0.1 C=CCOCCCBr 34a_100011217188_100015514636 [0,1,1,0,0,0|1,0,1]=4 1505 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [0,1,1,0,0,0|1,0,1]=4 1506 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [0,1,1,0,0,0|1,0,1]=4 1507 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [0,1,1,0,0,0|1,0,1]=4 1508 B7R0.1 C=CCOCCCCl 34a_100000230001_100015514636 [0,1,1,0,0,0|1,0,1]=4 1509 B7R0.1 C=CCOCCCF 34a_100000759539_100015514636 [0,1,1,0,0,0|1,0,1]=4 1510 B7R0.1 C=CCOCCCF 34a_200000210373_100011934791 [0,1,1,0,0,0|1,0,1]=4 1511 B7R0.1 C=CCOCCCN 34a_100000182051_100015514636 [0,1,1,0,0,0|1,0,1]=4 1512 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [0,1,1,0,0,0|0,0,2]=4 1513 B7R0.1 C=CCOCCOC 34a_100000037705_200000210301 [0,1,1,0,0,0|0,0,2]=4 1514 B7R0.1 C=CCOCCOC 34a_100000210237_100015514636 [0,1,1,0,0,0|0,0,2]=4 1515 B7R0.1 C=CCOCCOC 34a_200000210373_100011201679 [0,1,1,0,0,0|0,0,2]=4 1516 B7R0.1 C=CCOCCOC 7a_100000037705_200000210301 [0,1,1,0,0,0|0,0,2]=4 1517 B7R0.1 C=CCOCCON 34a_100000700252_100015514636 [0,1,1,0,0,0|0,0,2]=4 1518 B7R0.1 C=CCOCCO[13CH3] 34a_100000037705_200025704644 [0,1,1,0,0,0|0,0,2]=4 1519 B7R0.1 C=CCOCCO[13CH3] 7a_100000037705_200025704644 [0,1,1,0,0,0|0,0,2]=4 1520 B7R0.1 C=CCOCCSC 34a_100000230434_100015514636 [0,1,1,0,0,0|1,0,1]=4 1521 B7R0.1 C=CCOCCSC 34a_200000210373_100000212216 [0,1,1,0,0,0|1,0,1]=4 1522 B7R0.1 C=CCOCCSC 7a_100000230434_100015514636 [0,1,1,0,0,0|1,0,1]=4 1523 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [0,1,1,0,0,0|1,0,1]=4 1524 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [0,1,1,0,0,0|1,0,1]=4 1525 B7R0.1 CC#CCNCCO 2230a_100000685387_100000211926 [0,1,1,0,0,0|1,0,1]=4 1526 B7R0.1 CC#CCNCCO 2230a_100016997473_100000748600 [0,1,1,0,0,0|1,0,1]=4 1527 B7R0.1 CC#CCNCCO 34a_100000685387_100000211926 [0,1,1,0,0,0|1,0,1]=4 1528 B7R0.1 CC#CCNCCO 34a_100016990907_100000748600 [0,1,1,0,0,0|1,0,1]=4 1529 B7R0.1 CC#CCOCCBr 34a_100000211926_100000748600 [0,1,1,0,0,0|1,0,1]=4 1530 B7R0.1 CC#CCOCCC 34a_100000210258_100000748600 [0,1,1,0,0,0|1,0,1]=4 1531 B7R0.1 CC#CCOCCC 34a_100000761923_100000210303 [0,1,1,0,0,0|1,0,1]=4 1532 B7R0.1 CC#CCOCCF 34a_100000761923_100011217306 [0,1,1,0,0,0|1,0,1]=4 1533 B7R0.1 CC#CCOCCN 34a_100000210304_100000748600 [0,1,1,0,0,0|1,0,1]=4 1534 B7R0.1 CC#CCOCCO 34a_100000761923_100000211926 [0,1,1,0,0,0|0,0,1]=3 1535 B7R0.1 CC#CCSCCO 62a_100000211926_100000748600 [0,1,1,0,0,0|0,1,1]=4 1536 B7R0.1 CC#CCSCCO 62a_100000748600_100000211926 [0,1,1,0,0,0|0,1,1]=4 1537 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [0,1,1,0,0,0|1,0,1]=4 1538 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [0,1,1,0,0,0|1,0,1]=4 1539 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [0,1,1,0,0,0|1,0,1]=4 1540 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [0,1,1,0,0,0|1,0,1]=4 1541 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [0,1,1,0,0,0|1,0,1]=4 1542 B7R0.1 CC=CCNCCO 2230a_100016997473_100000070051 [0,1,1,0,0,0|1,0,1]=4 1543 B7R0.1 CC=CCNCCO 34a_100016990907_100000070051 [0,1,1,0,0,0|1,0,1]=4 1544 B7R0.1 CC=CCOCCBr 34a_100000211926_100000070051 [0,1,1,0,0,0|1,0,1]=4 1545 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [0,1,1,0,0,0|1,0,1]=4 1546 B7R0.1 CC=CCOCCN 34a_100000210304_100000070051 [0,1,1,0,0,0|1,0,1]=4 1547 B7R0.1 CC=CCSCCO 62a_100000070051_100000211926 [0,1,1,0,0,0|0,1,1]=4 1548 B7R0.1 CC=CCSCCO 62a_100000211926_100000070051 [0,1,1,0,0,0|0,1,1]=4 1549 B7R0.1 CCC#CCCOC 34a_100000036655_200000210301 [0,1,1,0,0,0|1,0,1]=4 1550 B7R0.1 CCC#CCCOC 7a_100000036655_200000210301 [0,1,1,0,0,0|1,0,1]=4 1551 B7R0.1 CCC#CCCO[13CH3] 34a_100000036655_200025704644 [0,1,1,0,0,0|1,0,1]=4 1552 B7R0.1 CCC#CCCO[13CH3] 7a_100000036655_200025704644 [0,1,1,0,0,0|1,0,1]=4 1553 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [0,1,1,0,0,0|1,0,1]=4 1554 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [0,1,1,0,0,0|1,0,1]=4 1555 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [0,1,1,0,0,0|1,0,1]=4 1556 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [0,1,1,0,0,0|1,0,1]=4 1557 B7R0.1 CCC=NNCCO 4a_100000210001_100000210100 [0,1,1,0,0,0|1,0,1]=4 1558 B7R0.1 CCCC#CCOC 34a_100000034806_200000210301 [0,1,1,0,0,0|1,0,1]=4 1559 B7R0.1 CCCC#CCOC 7a_100000034806_200000210301 [0,1,1,0,0,0|1,0,1]=4 1560 B7R0.1 CCCC#CCO[13CH3] 34a_100000034806_200025704644 [0,1,1,0,0,0|1,0,1]=4 1561 B7R0.1 CCCC#CCO[13CH3] 7a_100000034806_200025704644 [0,1,1,0,0,0|1,0,1]=4 1562 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [0,1,1,0,0,0|2,0,0]=4 1563 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [0,1,1,0,0,0|2,0,0]=4 1564 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [0,1,1,0,0,0|2,0,0]=4 1565 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [0,1,1,0,0,0|2,0,0]=4 1566 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [0,1,1,0,0,0|2,0,0]=4 1567 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [0,1,1,0,0,0|1,0,0]=3 1568 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [0,1,1,0,0,0|1,0,0]=3 1569 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [0,1,1,0,0,0|1,0,0]=3 1570 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [0,1,1,0,0,0|1,0,0]=3 1571 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [0,1,1,0,0,0|1,0,0]=3 1572 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [0,1,1,0,0,0|1,1,0]=4 1573 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [0,1,1,0,0,0|1,1,0]=4 1574 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [0,1,1,0,0,0|1,1,0]=4 1575 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [0,1,1,0,0,0|1,1,0]=4 1576 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [0,1,1,0,0,0|2,0,0]=4 1577 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [0,1,1,0,0,0|2,0,0]=4 1578 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [0,1,1,0,0,0|2,0,0]=4 1579 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [0,1,1,0,0,0|2,0,0]=4 1580 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [0,1,1,0,0,0|2,0,0]=4 1581 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [0,1,1,0,0,0|2,0,0]=4 1582 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [0,1,1,0,0,0|2,0,0]=4 1583 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [0,1,1,0,0,0|2,0,0]=4 1584 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [0,1,1,0,0,0|2,0,0]=4 1585 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [0,1,1,0,0,0|2,0,0]=4 1586 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [0,1,1,0,0,0|2,0,0]=4 1587 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [0,1,1,0,0,0|2,0,0]=4 1588 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [0,1,1,0,0,0|2,0,0]=4 1589 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [0,1,1,0,0,0|2,0,0]=4 1590 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [0,1,1,0,0,0|2,0,0]=4 1591 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [0,1,1,0,0,0|2,0,0]=4 1592 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [0,1,1,0,0,0|1,0,0]=3 1593 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [0,1,1,0,0,0|1,0,0]=3 1594 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [0,1,1,0,0,0|1,0,0]=3 1595 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [0,1,1,0,0,0|1,0,0]=3 1596 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [0,1,1,0,0,0|2,0,0]=4 1597 B7R0.1 CCCCOCC#N 7a_100000210227_100011215382 [0,1,1,0,0,0|1,0,1]=4 1598 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [0,1,1,0,0,0|0,0,2]=4 1599 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [0,1,1,0,0,0|0,0,2]=4 1600 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [0,1,1,0,0,0|1,0,0]=3 1601 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [0,1,1,0,0,0|1,0,0]=3 1602 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [0,1,1,0,0,0|1,0,0]=3 1603 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [0,1,1,0,0,0|1,0,0]=3 1604 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [0,1,1,0,0,0|1,0,0]=3 1605 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [0,1,1,0,0,0|1,0,0]=3 1606 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [0,1,1,0,0,0|1,0,0]=3 1607 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [0,1,1,0,0,0|0,0,0]=2 1608 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [0,1,1,0,0,0|0,0,0]=2 1609 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [0,1,1,0,0,0|2,0,0]=4 1610 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [0,1,1,0,0,0|2,0,0]=4 1611 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [0,1,1,0,0,0|2,0,0]=4 1612 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [0,1,1,0,0,0|2,0,0]=4 1613 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [0,1,1,0,0,0|2,0,0]=4 1614 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [0,1,1,0,0,0|2,0,0]=4 1615 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [0,1,1,0,0,0|2,0,0]=4 1616 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [0,1,1,0,0,0|2,0,0]=4 1617 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [0,1,1,0,0,0|1,1,0]=4 1618 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [0,1,1,0,0,0|1,1,0]=4 1619 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [0,1,1,0,0,0|1,1,0]=4 1620 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [0,1,1,0,0,0|1,1,0]=4 1621 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [0,1,1,0,0,0|0,1,0]=3 1622 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [0,1,1,0,0,0|0,1,0]=3 1623 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [0,1,1,0,0,0|2,0,0]=4 1624 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [0,1,1,0,0,0|2,0,0]=4 1625 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [0,1,1,0,0,0|2,0,0]=4 1626 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [0,1,1,0,0,0|2,0,0]=4 1627 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [0,1,1,0,0,0|1,0,0]=3 1628 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [0,1,1,0,0,0|1,1,0]=4 1629 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [0,1,1,0,0,0|1,0,0]=3 1630 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [0,1,1,0,0,0|1,0,0]=3 1631 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [0,1,1,0,0,0|1,0,0]=3 1632 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [0,1,1,0,0,0|1,0,0]=3 1633 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [0,1,1,0,0,0|1,0,0]=3 1634 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [0,1,1,0,0,0|0,0,0]=2 1635 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [0,1,1,0,0,0|1,0,0]=3 1636 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [0,1,1,0,0,0|1,0,0]=3 1637 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [0,1,1,0,0,0|1,0,0]=3 1638 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [0,1,1,0,0,0|1,0,0]=3 1639 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [0,1,1,0,0,0|1,0,0]=3 1640 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [0,1,1,0,0,0|1,0,0]=3 1641 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [0,1,1,0,0,0|1,0,0]=3 1642 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [0,1,1,0,0,0|0,0,0]=2 1643 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [0,1,1,0,0,0|0,0,0]=2 1644 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [0,1,1,0,0,0|0,0,0]=2 1645 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [0,1,1,0,0,0|0,0,0]=2 1646 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [0,1,1,0,0,0|0,0,0]=2 1647 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [0,1,1,0,0,0|0,0,0]=2 1648 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [0,1,1,0,0,0|0,0,0]=2 1649 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [0,1,1,0,0,0|0,0,0]=2 1650 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [0,1,1,0,0,0|0,1,0]=3 1651 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [0,1,1,0,0,0|0,1,0]=3 1652 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [0,1,1,0,0,0|0,1,0]=3 1653 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [0,1,1,0,0,0|0,1,0]=3 1654 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [0,1,1,0,0,0|0,1,0]=3 1655 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [0,1,1,0,0,0|0,1,0]=3 1656 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [0,1,1,0,0,0|0,1,0]=3 1657 B7R0.1 CCCSCCC#N 62a_100000210303_100011215226 [0,1,1,0,0,0|1,1,0]=4 1658 B7R0.1 CCCSCCC#N 62a_100011215226_100000210303 [0,1,1,0,0,0|1,1,0]=4 1659 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [0,1,1,0,0,0|1,1,0]=4 1660 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [0,1,1,0,0,0|1,1,0]=4 1661 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [0,1,1,0,0,0|0,1,0]=3 1662 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [0,1,1,0,0,0|0,1,0]=3 1663 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [0,1,1,0,0,0|1,1,0]=4 1664 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [0,1,1,0,0,0|1,1,0]=4 1665 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [0,1,1,0,0,0|0,1,0]=3 1666 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [0,1,1,0,0,0|0,1,0]=3 1667 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [0,1,1,0,0,0|0,1,0]=3 1668 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [0,1,1,0,0,0|0,1,0]=3 1669 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [0,1,1,0,0,0|0,1,0]=3 1670 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [0,1,1,0,0,0|0,1,0]=3 1671 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [0,1,1,0,0,0|0,2,0]=4 1672 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [0,1,1,0,0,0|0,2,0]=4 1673 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [0,1,1,0,0,0|1,1,0]=4 1674 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [0,1,1,0,0,0|1,1,0]=4 1675 B7R0.1 CCNCC#CCO 2230a_100015525214_200000047223 [0,1,1,0,0,0|1,0,1]=4 1676 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [0,1,1,0,0,0|2,0,0]=4 1677 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [0,1,1,0,0,0|1,0,0]=3 1678 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [0,1,1,0,0,0|1,0,0]=3 1679 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [0,1,1,0,0,0|1,0,0]=3 1680 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [0,1,1,0,0,0|2,0,0]=4 1681 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [0,1,1,0,0,0|2,0,0]=4 1682 B7R0.1 CCOCC#CCO 34a_100121572206_200000047223 [0,1,1,0,0,0|1,0,1]=4 1683 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [0,1,1,0,0,0|2,0,0]=4 1684 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [0,1,1,0,0,0|2,0,0]=4 1685 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [0,1,1,0,0,0|2,0,0]=4 1686 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [0,1,1,0,0,0|2,0,0]=4 1687 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [0,1,1,0,0,0|2,0,0]=4 1688 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [0,1,1,0,0,0|2,0,0]=4 1689 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [0,1,1,0,0,0|2,0,0]=4 1690 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [0,1,1,0,0,0|2,0,0]=4 1691 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [0,1,1,0,0,0|1,0,0]=3 1692 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [0,1,1,0,0,0|2,0,0]=4 1693 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [0,1,1,0,0,0|2,0,0]=4 1694 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [0,1,1,0,0,0|2,0,0]=4 1695 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [0,1,1,0,0,0|2,0,0]=4 1696 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [0,1,1,0,0,0|2,0,0]=4 1697 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [0,1,1,0,0,0|2,0,0]=4 1698 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [0,1,1,0,0,0|2,0,0]=4 1699 B7R0.1 CCOCSCCF 62a_100000739092_100011217306 [0,1,1,0,0,0|1,1,0]=4 1700 B7R0.1 CCOCSCCF 62a_100011217306_100000739092 [0,1,1,0,0,0|1,1,0]=4 1701 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [0,1,1,0,0,0|0,1,0]=3 1702 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [0,1,1,0,0,0|0,1,0]=3 1703 B7R0.1 CCSCC#CCO 62a_100000210202_200000047223 [0,1,1,0,0,0|1,0,1]=4 1704 B7R0.1 CCSCC#CCO 62a_200000047223_100000210202 [0,1,1,0,0,0|1,0,1]=4 1705 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [0,1,1,0,0,0|2,0,0]=4 1706 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [0,1,1,0,0,0|2,0,0]=4 1707 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [0,1,1,0,0,0|1,0,0]=3 1708 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [0,1,1,0,0,0|1,0,0]=3 1709 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [0,1,1,0,0,0|2,0,0]=4 1710 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [0,1,1,0,0,0|2,0,0]=4 1711 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [0,1,1,0,0,0|2,0,0]=4 1712 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [0,1,1,0,0,0|2,0,0]=4 1713 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [0,1,1,0,0,0|2,0,0]=4 1714 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [0,1,1,0,0,0|2,0,0]=4 1715 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [0,1,1,0,0,0|2,0,0]=4 1716 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [0,1,1,0,0,0|2,0,0]=4 1717 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [0,1,1,0,0,0|2,0,0]=4 1718 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [0,1,1,0,0,0|1,0,0]=3 1719 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [0,1,1,0,0,0|1,0,0]=3 1720 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [0,1,1,0,0,0|1,0,0]=3 1721 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [0,1,1,0,0,0|1,0,0]=3 1722 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [0,1,1,0,0,0|1,0,0]=3 1723 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [0,1,1,0,0,0|2,0,0]=4 1724 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [0,1,1,0,0,0|2,0,0]=4 1725 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [0,1,1,0,0,0|2,0,0]=4 1726 B7R0.1 CNCCOCC#N 2230a_106832991635_200000047693 [0,1,1,0,0,0|1,0,1]=4 1727 B7R0.1 CNCCOCC#N 7a_106832991635_200000047693 [0,1,1,0,0,0|1,0,1]=4 1728 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [0,1,1,0,0,0|0,0,0]=2 1729 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [0,1,1,0,0,0|0,0,0]=2 1730 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [0,1,1,0,0,0|0,0,0]=2 1731 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [0,1,1,0,0,0|0,0,0]=2 1732 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [0,1,1,0,0,0|0,0,0]=2 1733 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [0,1,1,0,0,0|0,1,0]=3 1734 B7R0.1 CNCOCCOC 2230a_106832991635_100000231047 [0,1,1,0,0,0|1,0,0]=3 1735 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [0,1,1,0,0,0|1,0,0]=3 1736 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [0,1,1,0,0,0|1,0,0]=3 1737 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [0,1,1,0,0,0|1,0,0]=3 1738 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [0,1,1,0,0,0|1,0,0]=3 1739 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [0,1,1,0,0,0|1,0,0]=3 1740 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [0,1,1,0,0,0|1,0,0]=3 1741 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [0,1,1,0,0,0|1,0,0]=3 1742 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [0,1,1,0,0,0|1,0,0]=3 1743 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [0,1,1,0,0,0|0,0,0]=2 1744 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [0,1,1,0,0,0|2,0,0]=4 1745 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [0,1,1,0,0,0|2,0,0]=4 1746 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [0,1,1,0,0,0|2,0,0]=4 1747 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [0,1,1,0,0,0|2,0,0]=4 1748 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [0,1,1,0,0,0|2,0,0]=4 1749 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [0,1,1,0,0,0|2,0,0]=4 1750 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [0,1,1,0,0,0|2,0,0]=4 1751 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [0,1,1,0,0,0|2,0,0]=4 1752 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [0,1,1,0,0,0|2,0,0]=4 1753 B7R0.1 COCCCNCF 34a_100150723488_100015361967 [0,1,1,0,0,0|2,0,0]=4 1754 B7R0.1 COCCCOCF 34a_100000740835_100015361967 [0,1,1,0,0,0|2,0,0]=4 1755 B7R0.1 COCCCSCF 62a_100000709357_100015361967 [0,1,1,0,0,0|2,0,0]=4 1756 B7R0.1 COCCCSCF 62a_100015361967_100000709357 [0,1,1,0,0,0|2,0,0]=4 1757 B7R0.1 COCCNCCF 2230a_100000209980_100011217306 [0,1,1,0,0,0|2,0,0]=4 1758 B7R0.1 COCCNCCF 34a_100000724931_100011201679 [0,1,1,0,0,0|2,0,0]=4 1759 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [0,1,1,0,0,0|1,0,0]=3 1760 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [0,1,1,0,0,0|1,0,0]=3 1761 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [0,1,1,0,0,0|1,0,0]=3 1762 B7R0.1 COCCNCOC 2230a_100000209980_100000766300 [0,1,1,0,0,0|2,0,0]=4 1763 B7R0.1 COCCNCSC 2230a_100000209980_100011218213 [0,1,1,0,0,0|2,0,0]=4 1764 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [0,1,1,0,0,0|0,0,2]=4 1765 B7R0.1 COCCOCCBr 34a_100000211926_100011201679 [0,1,1,0,0,0|1,0,0]=3 1766 B7R0.1 COCCOCCBr 34a_100000692535_200000210301 [0,1,1,0,0,0|1,0,0]=3 1767 B7R0.1 COCCOCCBr 7a_100000692535_200000210301 [0,1,1,0,0,0|1,0,0]=3 1768 B7R0.1 COCCOCCCl 34a_100011215305_200000210301 [0,1,1,0,0,0|1,0,0]=3 1769 B7R0.1 COCCOCCCl 7a_100011215305_200000210301 [0,1,1,0,0,0|1,0,0]=3 1770 B7R0.1 COCCOCCF 34a_100000210237_100011217306 [0,1,1,0,0,0|1,0,0]=3 1771 B7R0.1 COCCOCCF 34a_200015357709_200000210301 [0,1,1,0,0,0|1,0,0]=3 1772 B7R0.1 COCCOCCF 7a_200015357709_200000210301 [0,1,1,0,0,0|1,0,0]=3 1773 B7R0.1 COCCOCCI 34a_100012149058_200000210301 [0,1,1,0,0,0|1,0,0]=3 1774 B7R0.1 COCCOCCI 7a_100012149058_200000210301 [0,1,1,0,0,0|1,0,0]=3 1775 B7R0.1 COCCOCCN 34a_100000210304_100011201679 [0,1,1,0,0,0|1,0,0]=3 1776 B7R0.1 COCCOCCN 34a_100000211614_200000210301 [0,1,1,0,0,0|1,0,0]=3 1777 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [0,1,1,0,0,0|0,0,0]=2 1778 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [0,1,1,0,0,0|0,0,0]=2 1779 B7R0.1 COCCOCSC 34a_100000210237_100011218213 [0,1,1,0,0,0|1,0,0]=3 1780 B7R0.1 COCCOCSC 62a_100000231047_200000210301 [0,1,1,0,0,0|1,0,0]=3 1781 B7R0.1 COCCOCSC 62a_200000210301_100000231047 [0,1,1,0,0,0|1,0,0]=3 1782 B7R0.1 COCCOCS[13CH3] 62a_100000231047_200025704644 [0,1,1,0,0,0|1,0,0]=3 1783 B7R0.1 COCCOCS[13CH3] 62a_200025704644_100000231047 [0,1,1,0,0,0|1,0,0]=3 1784 B7R0.1 COCCSCCF 62a_100000233755_100011217306 [0,1,1,0,0,0|1,1,0]=4 1785 B7R0.1 COCCSCCF 62a_100011217306_100000233755 [0,1,1,0,0,0|1,1,0]=4 1786 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [0,1,1,0,0,0|0,1,0]=3 1787 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [0,1,1,0,0,0|0,1,0]=3 1788 B7R0.1 COCCSCOC 62a_100000233755_100000766300 [0,1,1,0,0,0|1,1,0]=4 1789 B7R0.1 COCCSCOC 62a_100000766300_100000233755 [0,1,1,0,0,0|1,1,0]=4 1790 B7R0.1 COCCSCSC 62a_100000233755_100011218213 [0,1,1,0,0,0|1,1,0]=4 1791 B7R0.1 COCCSCSC 62a_100011218213_100000233755 [0,1,1,0,0,0|1,1,0]=4 1792 B7R0.1 COCNCCCF 2230a_100015189416_100000766300 [0,1,1,0,0,0|2,0,0]=4 1793 B7R0.1 COCSCCCF 62a_100000766300_100011934791 [0,1,1,0,0,0|2,0,0]=4 1794 B7R0.1 COCSCCCF 62a_100011934791_100000766300 [0,1,1,0,0,0|2,0,0]=4 1795 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [0,1,1,0,0,0|1,0,0]=3 1796 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [0,1,1,0,0,0|1,0,0]=3 1797 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [0,1,1,0,0,0|1,1,0]=4 1798 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [0,1,1,0,0,0|1,1,0]=4 1799 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [0,1,1,0,0,0|0,1,0]=3 1800 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [0,1,1,0,0,0|0,1,0]=3 1801 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [0,1,1,0,0,0|2,0,0]=4 1802 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [0,1,1,0,0,0|2,0,0]=4 1803 B7R0.1 CSCCNCCF 2230a_100020590264_100011217306 [0,1,1,0,0,0|2,0,0]=4 1804 B7R0.1 CSCCNCCF 34a_100000724931_100000212216 [0,1,1,0,0,0|2,0,0]=4 1805 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [0,1,1,0,0,0|1,0,0]=3 1806 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [0,1,1,0,0,0|1,0,0]=3 1807 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [0,1,1,0,0,0|1,0,0]=3 1808 B7R0.1 CSCCOCC#N 62a_200000047693_200000210301 [0,1,1,0,0,0|1,0,1]=4 1809 B7R0.1 CSCCOCC#N 62a_200000210301_200000047693 [0,1,1,0,0,0|1,0,1]=4 1810 B7R0.1 CSCCOCC#N 7a_100000230434_100011215382 [0,1,1,0,0,0|1,0,1]=4 1811 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [0,1,1,0,0,0|0,0,2]=4 1812 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [0,1,1,0,0,0|0,0,2]=4 1813 B7R0.1 CSCCOCCBr 34a_100000211926_100000212216 [0,1,1,0,0,0|1,0,0]=3 1814 B7R0.1 CSCCOCCF 34a_100000230434_100011217306 [0,1,1,0,0,0|1,0,0]=3 1815 B7R0.1 CSCCOCCF 7a_100000230434_100011217306 [0,1,1,0,0,0|1,0,0]=3 1816 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [0,1,1,0,0,0|1,0,0]=3 1817 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [0,1,1,0,0,0|0,0,0]=2 1818 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [0,1,1,0,0,0|0,0,0]=2 1819 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [0,1,1,0,0,0|0,0,0]=2 1820 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [0,1,1,0,0,0|0,0,0]=2 1821 B7R0.1 CSCCOCSC 34a_100000230434_100011218213 [0,1,1,0,0,0|1,1,0]=4 1822 B7R0.1 CSCCSCCF 62a_100000212216_100011217306 [0,1,1,0,0,0|1,1,0]=4 1823 B7R0.1 CSCCSCCF 62a_100011217306_100000751147 [0,1,1,0,0,0|1,1,0]=4 1824 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [0,1,1,0,0,0|0,1,0]=3 1825 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [0,1,1,0,0,0|0,1,0]=3 1826 B7R0.1 CSCOCCCBr 34a_100011217188_100011218213 [0,1,1,0,0,0|2,0,0]=4 1827 B7R0.1 CSCOCCCCl 34a_100000230001_100011218213 [0,1,1,0,0,0|2,0,0]=4 1828 B7R0.1 CSCOCCCF 34a_100000759539_100011218213 [0,1,1,0,0,0|2,0,0]=4 1829 B7R0.1 CSCOCCCN 34a_100000182051_100011218213 [0,1,1,0,0,0|2,0,0]=4 1830 B7R0.1 CSCOCCON 34a_100000700252_100011218213 [0,1,1,0,0,0|1,0,0]=3 1831 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [0,1,1,0,0,0|1,1,0]=4 1832 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [0,1,1,0,0,0|1,1,0]=4 1833 B7R0.1 FCCCCOCF 34a_100011995726_100015361967 [0,1,1,0,0,0|2,0,0]=4 1834 B7R0.1 FCCCCOCF 7a_100011995726_100015361967 [0,1,1,0,0,0|2,0,0]=4 1835 B7R0.1 FCCCCSCF 62a_100000729493_100015361967 [0,1,1,0,0,0|2,0,0]=4 1836 B7R0.1 FCCCCSCF 62a_100015361967_100000729493 [0,1,1,0,0,0|2,0,0]=4 1837 B7R0.1 FCCCNCCF 2230a_100015189416_100011217306 [0,1,1,0,0,0|2,0,0]=4 1838 B7R0.1 FCCCNCCF 34a_100000724931_100011934791 [0,1,1,0,0,0|2,0,0]=4 1839 B7R0.1 FCCCNCCF 34a_100015189416_100011217306 [0,1,1,0,0,0|2,0,0]=4 1840 B7R0.1 FCCCOCCBr 34a_100000211926_100011934791 [0,1,1,0,0,0|1,0,0]=3 1841 B7R0.1 FCCCOCCF 34a_100000759539_100011217306 [0,1,1,0,0,0|1,0,0]=3 1842 B7R0.1 FCCCSCCF 62a_100011217306_100011934791 [0,1,1,0,0,0|1,1,0]=4 1843 B7R0.1 FCCCSCCF 62a_100011934791_100011217306 [0,1,1,0,0,0|1,1,0]=4 1844 B7R0.1 FCCOCCCBr 34a_100011217188_100011217306 [0,1,1,0,0,0|1,0,0]=3 1845 B7R0.1 FCCOCCCCl 34a_100000230001_100011217306 [0,1,1,0,0,0|1,0,0]=3 1846 B7R0.1 FCOCCCCBr 34a_100011216708_100015361967 [0,1,1,0,0,0|2,0,0]=4 1847 B7R0.1 FCOCCCCCl 34a_100000210776_100015361967 [0,1,1,0,0,0|2,0,0]=4 1848 B7R0.1 FCOCCCCCl 7a_100000210776_100015361967 [0,1,1,0,0,0|2,0,0]=4 1849 B7R0.1 FCOCCCCI 34a_200012148704_100015361967 [0,1,1,0,0,0|2,0,0]=4 1850 B7R0.1 N#CCCNCCO 2230a_100016997473_100011215226 [0,1,1,0,0,0|1,0,1]=4 1851 B7R0.1 N#CCCSCCO 62a_100000211926_100011215226 [0,1,1,0,0,0|0,1,1]=4 1852 B7R0.1 N#CCCSCCO 62a_100011215226_100000211926 [0,1,1,0,0,0|0,1,1]=4 1853 B7R0.1 N#CCSCCCO 62a_100011215043_100011215382 [0,1,1,0,0,0|1,0,1]=4 1854 B7R0.1 N#CCSCCCO 62a_100011215382_100011215043 [0,1,1,0,0,0|1,0,1]=4 1855 B7R0.1 NCCCCOCF 34a_100000750430_100015361967 [0,1,1,0,0,0|2,0,0]=4 1856 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [0,1,1,0,0,0|0,0,2]=4 1857 B7R0.1 NCCCOCCF 34a_100000182051_100011217306 [0,1,1,0,0,0|1,0,0]=3 1858 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [0,1,1,0,0,0|0,0,0]=2 1859 B7R0.1 NCCOCCCF 34a_100000210304_100011934791 [0,1,1,0,0,0|1,0,0]=3 1860 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [0,1,1,0,0,0|1,0,0]=3 1861 B7R0.1 NOCCOCC=O 34a_100000700252_200009817547 [0,1,1,0,0,0|1,0,1]=4 1862 B7R0.1 NOCCOCCF 34a_100000700252_100011217306 [0,1,1,0,0,0|1,0,0]=3 1863 B7R0.1 NOCCOCCO 34a_100000700252_100000211926 [0,1,1,0,0,0|1,0,0]=3 1864 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [0,1,1,0,0,0|0,0,2]=4 1865 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [0,1,1,0,0,0|0,0,2]=4 1866 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [0,1,1,0,0,0|0,0,2]=4 1867 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [0,1,1,0,0,0|0,0,2]=4 1868 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [0,1,1,0,0,0|0,0,2]=4 1869 B7R0.1 OCCCCNCF 34a_100000750430_100015361967 [0,1,1,0,0,0|1,0,0]=3 1870 B7R0.1 OCCCCSCF 62a_100000210776_100015361967 [0,1,1,0,0,0|1,0,0]=3 1871 B7R0.1 OCCCCSCF 62a_100015361967_100000210776 [0,1,1,0,0,0|1,0,0]=3 1872 B7R0.1 OCCCNCCF 34a_100000724931_100000230001 [0,1,1,0,0,0|1,0,0]=3 1873 B7R0.1 OCCCNCCO 2230a_100016997473_100000230001 [0,1,1,0,0,0|0,0,0]=2 1874 B7R0.1 OCCCNCCO 34a_100016990907_100000230001 [0,1,1,0,0,0|0,0,0]=2 1875 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [0,1,1,0,0,0|1,0,0]=3 1876 B7R0.1 OCCCSCCF 62a_100011215043_100011217306 [0,1,1,0,0,0|1,0,0]=3 1877 B7R0.1 OCCCSCCF 62a_100011217306_100011215043 [0,1,1,0,0,0|1,0,0]=3 1878 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [0,1,1,0,0,0|0,0,0]=2 1879 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [0,1,1,0,0,0|0,0,0]=2 1880 B7R0.1 OCCNCCCF 2230a_100015189416_100000211926 [0,1,1,0,0,0|1,0,0]=3 1881 B7R0.1 OCCNCCCF 2230a_100016997473_100011934791 [0,1,1,0,0,0|1,0,0]=3 1882 B7R0.1 OCCNCCCF 34a_100015189416_100000211926 [0,1,1,0,0,0|1,0,0]=3 1883 B7R0.1 OCCNCCCF 34a_100016990907_100011934791 [0,1,1,0,0,0|1,0,0]=3 1884 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [0,1,1,0,0,0|0,0,0]=2 1885 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [0,1,1,0,0,0|0,0,0]=2 1886 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [0,1,1,0,0,0|0,0,0]=2 1887 B7R0.1 OCCSCCCF 62a_100000211926_100011934791 [0,1,1,0,0,0|0,1,0]=3 1888 B7R0.1 OCCSCCCF 62a_100011934791_100000211926 [0,1,1,0,0,0|0,1,0]=3 1889 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [0,1,1,0,0,0|1,0,0]=3 1890 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [0,1,1,0,0,0|1,0,0]=3 1891 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [0,1,1,0,0,0|0,0,0]=2 1892 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [0,1,1,0,0,0|0,0,0]=2 1893 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [0,1,1,0,0,0|0,1,0]=3 1894 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [0,1,1,0,0,0|1,0,0]=3 1895 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [0,1,1,0,0,0|1,0,0]=3 1896 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [0,1,1,0,0,0|1,0,0]=3 1897 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [0,1,1,0,0,0|1,0,0]=3 1898 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [0,1,1,0,0,0|1,0,0]=3 1899 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [0,1,1,0,0,0|1,0,0]=3 1900 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [0,1,1,0,0,0|1,0,0]=3 1901 B7R0.1 [13CH3]OCCOCCBr 34a_100000692535_200025704644 [0,1,1,0,0,0|1,0,0]=3 1902 B7R0.1 [13CH3]OCCOCCBr 7a_100000692535_200025704644 [0,1,1,0,0,0|1,0,0]=3 1903 B7R0.1 [13CH3]OCCOCCCl 34a_100011215305_200025704644 [0,1,1,0,0,0|1,0,0]=3 1904 B7R0.1 [13CH3]OCCOCCCl 7a_100011215305_200025704644 [0,1,1,0,0,0|1,0,0]=3 1905 B7R0.1 [13CH3]OCCOCCF 34a_200015357709_200025704644 [0,1,1,0,0,0|1,0,0]=3 1906 B7R0.1 [13CH3]OCCOCCF 7a_200015357709_200025704644 [0,1,1,0,0,0|1,0,0]=3 1907 B7R0.1 [13CH3]OCCOCCI 34a_100012149058_200025704644 [0,1,1,0,0,0|1,0,0]=3 1908 B7R0.1 [13CH3]OCCOCCI 7a_100012149058_200025704644 [0,1,1,0,0,0|1,0,0]=3 1909 B7R0.1 [13CH3]OCCOCCN 34a_100000211614_200025704644 [0,1,1,0,0,0|1,0,0]=3 1910 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [0,1,1,0,0,0|1,1,0]=4 1911 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [0,1,1,0,0,0|1,1,0]=4 1912 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [0,1,1,0,0,0|0,1,0]=3 1913 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [0,1,1,0,0,0|0,1,0]=3 1914 B7R0.1 [13CH3]SCCOCC#N 62a_200000047693_200025704644 [0,1,1,0,0,0|1,0,1]=4 1915 B7R0.1 [13CH3]SCCOCC#N 62a_200025704644_200000047693 [0,1,1,0,0,0|1,0,1]=4 1916 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [0,1,1,0,0,0|0,0,0]=2 1917 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [0,1,1,0,0,0|0,0,0]=2 1918 B7R0.4 C#CCOCC(C)Br 34a_100012180447_100000184674 [0,1,1,0,0,0|1,0,1]=4 1919 B7R0.4 C#CCOCC(C)C 34a_100000210247_100000210624 [0,1,1,0,0,0|1,0,1]=4 1920 B7R0.4 C#CCOCC(C)C 34a_100000210257_100000184674 [0,1,1,0,0,0|1,0,1]=4 1921 B7R0.4 C#CCOCC(C)F 34a_100015925927_100000184674 [0,1,1,0,0,0|1,0,1]=4 1922 B7R0.4 C#CCOCC(C)O 34a_100000210247_100011218427 [0,1,1,0,0,0|0,0,2]=4 1923 B7R0.4 C#CCOC[C@@H](C)Cl 34a_100016084084_100000184674 [0,1,1,0,0,0|1,0,1]=4 1924 B7R0.4 C#CCOC[C@@H](C)N 34a_100000737577_100000184674 [0,1,1,0,0,0|1,0,1]=4 1925 B7R0.4 C#CCOC[C@@H](C)O 34a_100000210247_100009817552 [0,1,1,0,0,0|0,0,2]=4 1926 B7R0.4 C=C(C)CNCCO 2230a_100016997473_100000748629 [0,1,1,0,0,0|1,0,1]=4 1927 B7R0.4 C=C(C)CNCCO 34a_100016990907_100000748629 [0,1,1,0,0,0|1,0,1]=4 1928 B7R0.4 C=C(C)COCCBr 34a_100000211926_100000748629 [0,1,1,0,0,0|1,0,1]=4 1929 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [0,1,1,0,0,0|1,0,1]=4 1930 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [0,1,1,0,0,0|1,0,1]=4 1931 B7R0.4 C=C(C)COCCF 34a_100000210245_100011217306 [0,1,1,0,0,0|1,0,1]=4 1932 B7R0.4 C=C(C)COCCN 34a_100000210304_100000748629 [0,1,1,0,0,0|1,0,1]=4 1933 B7R0.4 C=C(C)COCCO 34a_100000210245_100000211926 [0,1,1,0,0,0|0,0,1]=3 1934 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [0,1,1,0,0,0|0,1,1]=4 1935 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [0,1,1,0,0,0|0,1,1]=4 1936 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [0,1,1,0,0,0|1,0,1]=4 1937 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [0,1,1,0,0,0|1,0,1]=4 1938 B7R0.4 C=C(F)COCCO 34a_200010262243_100000211926 [0,1,1,0,0,0|0,0,2]=4 1939 B7R0.4 C=CCOCC(C)Br 34a_100012180447_100015514636 [0,1,1,0,0,0|1,0,1]=4 1940 B7R0.4 C=CCOCC(C)C 34a_100000210257_100015514636 [0,1,1,0,0,0|1,0,1]=4 1941 B7R0.4 C=CCOCC(C)C 34a_200000210373_100000210624 [0,1,1,0,0,0|1,0,1]=4 1942 B7R0.4 C=CCOCC(C)F 34a_100015925927_100015514636 [0,1,1,0,0,0|1,0,1]=4 1943 B7R0.4 C=CCOCC(C)O 34a_200000210373_100011218427 [0,1,1,0,0,0|0,0,2]=4 1944 B7R0.4 C=CCOC[C@@H](C)Cl 34a_100016084084_100015514636 [0,1,1,0,0,0|1,0,1]=4 1945 B7R0.4 C=CCOC[C@@H](C)N 34a_100000737577_100015514636 [0,1,1,0,0,0|1,0,1]=4 1946 B7R0.4 C=CCOC[C@@H](C)O 34a_200000210373_100009817552 [0,1,1,0,0,0|0,0,2]=4 1947 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [0,1,1,0,0,0|0,0,2]=4 1948 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [0,1,1,0,0,0|0,0,2]=4 1949 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [0,1,1,0,0,0|1,0,1]=4 1950 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [0,1,1,0,0,0|0,0,1]=3 1951 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [0,1,1,0,0,0|0,0,1]=3 1952 B7R0.4 CC(Br)COCC=O 34a_100012180447_200009817547 [0,1,1,0,0,0|0,0,2]=4 1953 B7R0.4 CC(Br)COCCF 34a_100012180447_100011217306 [0,1,1,0,0,0|1,0,0]=3 1954 B7R0.4 CC(Br)COCCO 34a_100012180447_100000211926 [0,1,1,0,0,0|0,0,0]=2 1955 B7R0.4 CC(C)CNCCF 2230a_100000210953_100011217306 [0,1,1,0,0,0|2,0,0]=4 1956 B7R0.4 CC(C)CNCCF 34a_100000210953_100011217306 [0,1,1,0,0,0|2,0,0]=4 1957 B7R0.4 CC(C)CNCCF 34a_100000724931_100000210624 [0,1,1,0,0,0|2,0,0]=4 1958 B7R0.4 CC(C)CNCCO 2230a_100000210953_100000211926 [0,1,1,0,0,0|1,0,0]=3 1959 B7R0.4 CC(C)CNCCO 2230a_100016997473_100000210760 [0,1,1,0,0,0|1,0,0]=3 1960 B7R0.4 CC(C)CNCCO 270004a_100000210304_100000210432 [0,1,1,0,0,0|1,0,0]=3 1961 B7R0.4 CC(C)CNCCO 34a_100000210953_100000211926 [0,1,1,0,0,0|1,0,0]=3 1962 B7R0.4 CC(C)CNCCO 34a_100016990907_100000210624 [0,1,1,0,0,0|1,0,0]=3 1963 B7R0.4 CC(C)COCC=O 34a_100000210257_200009817547 [0,1,1,0,0,0|0,0,2]=4 1964 B7R0.4 CC(C)COCCBr 34a_100000211926_100000210624 [0,1,1,0,0,0|1,0,0]=3 1965 B7R0.4 CC(C)COCCF 34a_100000210257_100011217306 [0,1,1,0,0,0|1,0,0]=3 1966 B7R0.4 CC(C)COCCN 34a_100000210304_100000210624 [0,1,1,0,0,0|1,0,0]=3 1967 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [0,1,1,0,0,0|0,0,0]=2 1968 B7R0.4 CC(C)CSCCF 62a_100000210624_100011217306 [0,1,1,0,0,0|1,1,0]=4 1969 B7R0.4 CC(C)CSCCF 62a_100011217306_100000210760 [0,1,1,0,0,0|1,1,0]=4 1970 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [0,1,1,0,0,0|0,1,0]=3 1971 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [0,1,1,0,0,0|0,1,0]=3 1972 B7R0.4 CC(C)NCCCO 2230a_100138425928_100000230001 [0,1,1,0,0,0|2,0,0]=4 1973 B7R0.4 CC(C)NCCCO 34a_100138425928_100000230001 [0,1,1,0,0,0|2,0,0]=4 1974 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [0,1,1,0,0,0|2,0,0]=4 1975 B7R0.4 CC(C)SCCCO 62a_100000210206_100011215043 [0,1,1,0,0,0|2,0,0]=4 1976 B7R0.4 CC(C)SCCCO 62a_100011215043_100000210206 [0,1,1,0,0,0|2,0,0]=4 1977 B7R0.4 CC(F)COCC=O 34a_100015925927_200009817547 [0,1,1,0,0,0|0,0,2]=4 1978 B7R0.4 CC(F)COCCF 34a_100015925927_100011217306 [0,1,1,0,0,0|1,0,0]=3 1979 B7R0.4 CC(F)COCCO 34a_100015925927_100000211926 [0,1,1,0,0,0|0,0,0]=2 1980 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [0,1,1,0,0,0|2,0,0]=4 1981 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [0,1,1,0,0,0|2,0,0]=4 1982 B7R0.4 CC(O)CCSCF 62a_100012276601_100015361967 [0,1,1,0,0,0|2,0,0]=4 1983 B7R0.4 CC(O)CCSCF 62a_100015361967_100012276601 [0,1,1,0,0,0|2,0,0]=4 1984 B7R0.4 CC(O)CNCCF 2230a_100000210904_100011217306 [0,1,1,0,0,0|2,0,0]=4 1985 B7R0.4 CC(O)CNCCF 34a_100000210904_100011217306 [0,1,1,0,0,0|2,0,0]=4 1986 B7R0.4 CC(O)CNCCF 34a_100000724931_100011218427 [0,1,1,0,0,0|2,0,0]=4 1987 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [0,1,1,0,0,0|1,0,0]=3 1988 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [0,1,1,0,0,0|1,0,0]=3 1989 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [0,1,1,0,0,0|1,0,0]=3 1990 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [0,1,1,0,0,0|1,0,0]=3 1991 B7R0.4 CC(O)COCCBr 34a_100000211926_100011218427 [0,1,1,0,0,0|1,0,0]=3 1992 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [0,1,1,0,0,0|1,0,0]=3 1993 B7R0.4 CC(O)CSCCF 62a_100011217306_100011218427 [0,1,1,0,0,0|1,1,0]=4 1994 B7R0.4 CC(O)CSCCF 62a_100011218427_100011217306 [0,1,1,0,0,0|1,1,0]=4 1995 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [0,1,1,0,0,0|0,1,0]=3 1996 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [0,1,1,0,0,0|0,1,0]=3 1997 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [0,1,1,0,0,0|1,0,1]=4 1998 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [0,1,1,0,0,0|2,0,0]=4 1999 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [0,1,1,0,0,0|2,0,0]=4 2000 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [0,1,1,0,0,0|2,0,0]=4 2001 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [0,1,1,0,0,0|1,0,0]=3 2002 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [0,1,1,0,0,0|1,0,0]=3 2003 B7R0.4 CCCNCC(F)F 34a_100000765723_100000210303 [0,1,1,0,0,0|2,0,0]=4 2004 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,1,1,0,0,0|0,0,2]=4 2005 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,1,1,0,0,0|0,0,2]=4 2006 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [0,1,1,0,0,0|0,0,2]=4 2007 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,1,1,0,0,0|0,0,2]=4 2008 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [0,1,1,0,0,0|0,0,2]=4 2009 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [0,1,1,0,0,0|1,0,0]=3 2010 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [0,1,1,0,0,0|1,0,0]=3 2011 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [0,1,1,0,0,0|1,0,0]=3 2012 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [0,1,1,0,0,0|1,0,0]=3 2013 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [0,1,1,0,0,0|0,0,0]=2 2014 B7R0.4 CCCOCC(F)F 34a_100000210258_100011934356 [0,1,1,0,0,0|1,0,0]=3 2015 B7R0.4 CCCOCC(F)F 34a_100000743014_100000210303 [0,1,1,0,0,0|1,0,0]=3 2016 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [0,1,1,0,0,0|1,0,0]=3 2017 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [0,1,1,0,0,0|1,0,0]=3 2018 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [0,1,1,0,0,0|0,0,0]=2 2019 B7R0.4 CCCOC[N+](=O)[O-] 34a_100000210258_100000761209 [0,1,1,0,0,0|1,0,1]=4 2020 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [0,1,1,0,0,0|1,1,0]=4 2021 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [0,1,1,0,0,0|1,1,0]=4 2022 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [0,1,1,0,0,0|0,1,0]=3 2023 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [0,1,1,0,0,0|0,1,0]=3 2024 B7R0.4 CCCSCC(F)F 62a_100000210303_100011934356 [0,1,1,0,0,0|1,1,0]=4 2025 B7R0.4 CCCSCC(F)F 62a_100011934356_100000210303 [0,1,1,0,0,0|1,1,0]=4 2026 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [0,1,1,0,0,0|0,1,0]=3 2027 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [0,1,1,0,0,0|0,1,0]=3 2028 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [0,1,1,0,0,0|2,0,0]=4 2029 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [0,1,1,0,0,0|2,0,0]=4 2030 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [0,1,1,0,0,0|1,0,1]=4 2031 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [0,1,1,0,0,0|2,0,0]=4 2032 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [0,1,1,0,0,0|2,0,0]=4 2033 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [0,1,1,0,0,0|2,0,0]=4 2034 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [0,1,1,0,0,0|2,0,0]=4 2035 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [0,1,1,0,0,0|2,0,0]=4 2036 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [0,1,1,0,0,0|2,0,0]=4 2037 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [0,1,1,0,0,0|2,0,0]=4 2038 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [0,1,1,0,0,0|2,0,0]=4 2039 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [0,1,1,0,0,0|2,0,0]=4 2040 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [0,1,1,0,0,0|2,0,0]=4 2041 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [0,1,1,0,0,0|2,0,0]=4 2042 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [0,1,1,0,0,0|2,0,0]=4 2043 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [0,1,1,0,0,0|2,0,0]=4 2044 B7R0.4 COCNCC(C)O 2230a_100000210904_100000766300 [0,1,1,0,0,0|2,0,0]=4 2045 B7R0.4 COCSCC(C)O 62a_100000766300_100011218427 [0,1,1,0,0,0|1,1,0]=4 2046 B7R0.4 COCSCC(C)O 62a_100011218427_100000766300 [0,1,1,0,0,0|1,1,0]=4 2047 B7R0.4 COCSC[C@@H](C)O 62a_100000766300_100009817552 [0,1,1,0,0,0|1,1,0]=4 2048 B7R0.4 COCSC[C@@H](C)O 62a_100009817552_100000766300 [0,1,1,0,0,0|1,1,0]=4 2049 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [0,1,1,0,0,0|2,0,0]=4 2050 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [0,1,1,0,0,0|2,0,0]=4 2051 B7R0.4 CSCNCC(C)O 2230a_100000210904_100011218213 [0,1,1,0,0,0|2,0,0]=4 2052 B7R0.4 CSCNCC(C)O 34a_100000210904_100011218213 [0,1,1,0,0,0|2,0,0]=4 2053 B7R0.4 CSCOCC(C)Br 34a_100012180447_100011218213 [0,1,1,0,0,0|2,0,0]=4 2054 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [0,1,1,0,0,0|2,0,0]=4 2055 B7R0.4 CSCOCC(C)F 34a_100015925927_100011218213 [0,1,1,0,0,0|2,0,0]=4 2056 B7R0.4 CSCOCC(F)F 34a_100000743014_100011218213 [0,1,1,0,0,0|2,0,0]=4 2057 B7R0.4 CSCOC[C@@H](C)Cl 34a_100016084084_100011218213 [0,1,1,0,0,0|2,0,0]=4 2058 B7R0.4 CSCOC[C@@H](C)N 34a_100000737577_100011218213 [0,1,1,0,0,0|2,0,0]=4 2059 B7R0.4 CSCSCC(C)O 62a_100011218213_100011218427 [0,1,1,0,0,0|1,1,0]=4 2060 B7R0.4 CSCSCC(C)O 62a_100011218427_100011218213 [0,1,1,0,0,0|1,1,0]=4 2061 B7R0.4 CSCSC[C@@H](C)O 62a_100009817552_100011218213 [0,1,1,0,0,0|1,1,0]=4 2062 B7R0.4 CSCSC[C@@H](C)O 62a_100011218213_100009817552 [0,1,1,0,0,0|1,1,0]=4 2063 B7R0.4 C[C@@H](Cl)COCC=O 34a_100016084084_200009817547 [0,1,1,0,0,0|0,0,2]=4 2064 B7R0.4 C[C@@H](Cl)COCCF 34a_100016084084_100011217306 [0,1,1,0,0,0|1,0,0]=3 2065 B7R0.4 C[C@@H](Cl)COCCO 34a_100016084084_100000211926 [0,1,1,0,0,0|0,0,0]=2 2066 B7R0.4 C[C@@H](N)COCC=O 34a_100000737577_200009817547 [0,1,1,0,0,0|0,0,2]=4 2067 B7R0.4 C[C@@H](N)COCCF 34a_100000737577_100011217306 [0,1,1,0,0,0|1,0,0]=3 2068 B7R0.4 C[C@@H](N)COCCO 34a_100000737577_100000211926 [0,1,1,0,0,0|0,0,0]=2 2069 B7R0.4 C[C@@H](O)CNCCF 34a_100000724931_100009817552 [0,1,1,0,0,0|2,0,0]=4 2070 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [0,1,1,0,0,0|1,0,0]=3 2071 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [0,1,1,0,0,0|1,0,0]=3 2072 B7R0.4 C[C@@H](O)COCCBr 34a_100000211926_100009817552 [0,1,1,0,0,0|1,0,0]=3 2073 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [0,1,1,0,0,0|1,0,0]=3 2074 B7R0.4 C[C@@H](O)CSCCF 62a_100009817552_100011217306 [0,1,1,0,0,0|1,1,0]=4 2075 B7R0.4 C[C@@H](O)CSCCF 62a_100011217306_100009817552 [0,1,1,0,0,0|1,1,0]=4 2076 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [0,1,1,0,0,0|0,1,0]=3 2077 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [0,1,1,0,0,0|0,1,0]=3 2078 B7R0.4 FC(F)COCCBr 34a_100000211926_100011934356 [0,1,1,0,0,0|2,0,0]=4 2079 B7R0.4 FCCOCC(F)F 34a_100000743014_100011217306 [0,1,1,0,0,0|2,0,0]=4 2080 B7R0.4 NCCOCC(F)F 34a_100000210304_100011934356 [0,1,1,0,0,0|2,0,0]=4 2081 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [0,1,1,0,0,0|1,0,1]=4 2082 B7R0.4 OCCNCC(F)F 2230a_100016997473_100011934356 [0,1,1,0,0,0|2,0,0]=4 2083 B7R0.4 OCCNCC(F)F 34a_100000765723_100000211926 [0,1,1,0,0,0|2,0,0]=4 2084 B7R0.4 OCCNCC(F)F 34a_100016990907_100011934356 [0,1,1,0,0,0|2,0,0]=4 2085 B7R0.4 OCCOCC(F)F 34a_100000743014_100000211926 [0,1,1,0,0,0|1,0,0]=3 2086 B7R0.4 OCCSCC(F)F 62a_100000211926_100011934356 [0,1,1,0,0,0|1,1,0]=4 2087 B7R0.4 OCCSCC(F)F 62a_100011934356_100000211926 [0,1,1,0,0,0|1,1,0]=4 2088 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [0,1,1,0,0,0|0,0,2]=4 2089 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [0,1,1,0,0,0|0,0,1]=3 2090 B7R0.15 C#CC(OC)C(C)C 34a_100011217124_200000210301 [0,1,1,0,0,0|1,0,1]=4 2091 B7R0.15 C#CC(OC)C(C)C 7a_100011217124_200000210301 [0,1,1,0,0,0|1,0,1]=4 2092 B7R0.15 C#CC(O[13CH3])C(C)C 34a_100011217124_200025704644 [0,1,1,0,0,0|1,0,1]=4 2093 B7R0.15 C#CC(O[13CH3])C(C)C 7a_100011217124_200025704644 [0,1,1,0,0,0|1,0,1]=4 2094 B7R0.15 C=CC(OC)C(C)C 34a_100000732651_200000210301 [0,1,1,0,0,0|1,0,1]=4 2095 B7R0.15 C=CC(OC)C(C)C 7a_100000732651_200000210301 [0,1,1,0,0,0|1,0,1]=4 2096 B7R0.15 C=CC(O[13CH3])C(C)C 34a_100000732651_200025704644 [0,1,1,0,0,0|1,0,1]=4 2097 B7R0.15 C=CC(O[13CH3])C(C)C 7a_100000732651_200025704644 [0,1,1,0,0,0|1,0,1]=4 2098 B7R0.15 CC(C)C(C#N)O[13CH3] 34a_100000748901_200025704644 [0,1,1,0,0,0|1,0,1]=4 2099 B7R0.15 CC(C)C(C#N)O[13CH3] 7a_100000748901_200025704644 [0,1,1,0,0,0|1,0,1]=4 2100 B7R0.15 CC(C)C(CN)O[13CH3] 34a_100000759067_200025704644 [0,1,1,0,0,0|1,0,0]=3 2101 B7R0.15 CC(C)[C@H](CO)N[13CH3] 2230a_100011830312_200025704644 [0,1,1,0,0,0|1,0,0]=3 2102 B7R0.15 CC(C)[C@H](CO)N[13CH3] 34a_100011830312_200025704644 [0,1,1,0,0,0|1,0,0]=3 2103 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [0,1,1,0,0,0|2,0,0]=4 2104 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [0,1,1,0,0,0|2,0,0]=4 2105 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [0,1,1,0,0,0|2,0,0]=4 2106 B7R0.15 CCC(CC)N(C)C 2230a_100000737045_200000210301 [0,1,1,0,0,0|2,0,0]=4 2107 B7R0.15 CCC(CC)N(C)C 269982a_100000737045_200000210301 [0,1,1,0,0,0|2,0,0]=4 2108 B7R0.15 CCC(CC)N(C)C 269982a_100102631434_100000210505 [0,1,1,0,0,0|2,0,0]=4 2109 B7R0.15 CCC(CC)N(C)C 270004a_100102631434_100000210860 [0,1,1,0,0,0|2,0,0]=4 2110 B7R0.15 CCC(CC)N(C)[13CH3] 2230a_100000737045_200025704644 [0,1,1,0,0,0|2,0,0]=4 2111 B7R0.15 CCC(CC)N(C)[13CH3] 269982a_100000737045_200025704644 [0,1,1,0,0,0|2,0,0]=4 2112 B7R0.15 CCC(NC)C(C)C 270004a_106832991635_100000210600 [0,1,1,0,0,0|2,0,0]=4 2113 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [0,1,1,0,0,0|0,0,2]=4 2114 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [0,1,1,0,0,0|0,0,2]=4 2115 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [0,1,1,0,0,0|0,0,2]=4 2116 B7R0.15 CCC(OC)C(C)C 34a_100011218073_200000210301 [0,1,1,0,0,0|1,0,0]=3 2117 B7R0.15 CCC(OC)C(C)C 7a_100011218073_200000210301 [0,1,1,0,0,0|1,0,0]=3 2118 B7R0.15 CCC(O[13CH3])C(C)C 34a_100011218073_200025704644 [0,1,1,0,0,0|1,0,0]=3 2119 B7R0.15 CCC(O[13CH3])C(C)C 7a_100011218073_200025704644 [0,1,1,0,0,0|1,0,0]=3 2120 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [0,1,1,0,0,0|1,0,1]=4 2121 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [0,1,1,0,0,0|1,0,1]=4 2122 B7R0.15 CC[C@H](NC)[C@@H](C)O 2230a_100161114882_200000210301 [0,1,1,0,0,0|1,0,0]=3 2123 B7R0.15 CC[C@H](NC)[C@@H](C)O 34a_100161114882_200000210301 [0,1,1,0,0,0|1,0,0]=3 2124 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 2230a_100161114882_200025704644 [0,1,1,0,0,0|1,0,0]=3 2125 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 34a_100161114882_200025704644 [0,1,1,0,0,0|1,0,0]=3 2126 B7R0.15 CN[C@@H](CO)C(C)C 2230a_100011830312_200000210301 [0,1,1,0,0,0|1,0,0]=3 2127 B7R0.15 CN[C@@H](CO)C(C)C 34a_100011830312_200000210301 [0,1,1,0,0,0|1,0,0]=3 2128 B7R0.15 CN[C@H](CO)[C@@H](C)O 2230a_100015196842_200000210301 [0,1,1,0,0,0|1,0,0]=3 2129 B7R0.15 CN[C@H](CO)[C@@H](C)O 34a_100015196842_200000210301 [0,1,1,0,0,0|1,0,0]=3 2130 B7R0.15 COC(C#N)C(C)C 34a_100000748901_200000210301 [0,1,1,0,0,0|1,0,1]=4 2131 B7R0.15 COC(C#N)C(C)C 7a_100000748901_200000210301 [0,1,1,0,0,0|1,0,1]=4 2132 B7R0.15 COC(CN)C(C)C 34a_100000759067_200000210301 [0,1,1,0,0,0|1,0,0]=3 2133 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 2230a_100015196842_200025704644 [0,1,1,0,0,0|1,0,0]=3 2134 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 34a_100015196842_200025704644 [0,1,1,0,0,0|1,0,0]=3 2135 B7R0.18 C#CC(C)(CC)OC 34a_100000686493_200000210301 [0,1,1,0,0,0|1,0,1]=4 2136 B7R0.18 C#CC(C)(CC)OC 7a_100000686493_200000210301 [0,1,1,0,0,0|1,0,1]=4 2137 B7R0.18 C#CC(C)(CC)O[13CH3] 34a_100000686493_200025704644 [0,1,1,0,0,0|1,0,1]=4 2138 B7R0.18 C#CC(C)(CC)O[13CH3] 7a_100000686493_200025704644 [0,1,1,0,0,0|1,0,1]=4 2139 B7R0.18 CCC(C)(C#N)OC 7a_100000760259_200000210301 [0,1,1,0,0,0|1,0,1]=4 2140 B7R0.18 CCC(C)(C#N)O[13CH3] 7a_100000760259_200025704644 [0,1,1,0,0,0|1,0,1]=4 2141 B7R0.18 CCC(C)(CC)NC 7a_106832991635_100009817345 [0,1,1,0,0,0|2,0,0]=4 2142 B7R0.18 CCC(C)(CC)OC 7a_100000755174_200000210301 [0,1,1,0,0,0|1,0,0]=3 2143 B7R0.18 CCC(C)(CC)O[13CH3] 7a_100000755174_200025704644 [0,1,1,0,0,0|1,0,0]=3 2144 B7R0.18 CCC(C)(CC)SC 62a_100009817345_200000210301 [0,1,1,0,0,0|1,1,0]=4 2145 B7R0.18 CCC(C)(CC)SC 62a_200000210301_100009817345 [0,1,1,0,0,0|1,1,0]=4 2146 B7R0.18 CCC(C)(CC)S[13CH3] 62a_100009817345_200025704644 [0,1,1,0,0,0|1,1,0]=4 2147 B7R0.18 CCC(C)(CC)S[13CH3] 62a_200025704644_100009817345 [0,1,1,0,0,0|1,1,0]=4 2148 B7R1.2 CN1CCC(C1)O 2230a_100011215560_200000210301 [1,1,0,0,0,0|2,0,0]=4 2149 B7R1.2 CN1CCC(C1)O 269982a_100011215560_200000210301 [1,1,0,0,0,0|2,0,0]=4 2150 B7R1.2 CN1CC[C@@H](C1)F 2230a_100015203821_200000210301 [1,1,0,0,0,0|2,0,0]=4 2151 B7R1.2 CN1CC[C@@H](C1)F 269982a_100015203821_200000210301 [1,1,0,0,0,0|2,0,0]=4 2152 B7R1.2 CN1CC[C@@H](C1)F 34a_100015203821_200000210301 [1,1,0,0,0,0|2,0,0]=4 2153 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [1,1,0,0,0,0|2,0,0]=4 2154 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [1,1,0,0,0,0|2,0,0]=4 2155 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [1,1,0,0,0,0|2,0,0]=4 2156 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [1,1,0,0,0,0|2,0,0]=4 2157 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [1,1,0,0,0,0|2,0,0]=4 2158 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [1,1,0,0,0,0|2,0,0]=4 2159 B7R1.2 [13CH3]N1CCC(C1)O 2230a_100011215560_200025704644 [1,1,0,0,0,0|2,0,0]=4 2160 B7R1.2 [13CH3]N1CCC(C1)O 269982a_100011215560_200025704644 [1,1,0,0,0,0|2,0,0]=4 2161 B7R1.2 [13CH3]N1CC[C@@H](C1)F 2230a_100015203821_200025704644 [1,1,0,0,0,0|2,0,0]=4 2162 B7R1.2 [13CH3]N1CC[C@@H](C1)F 269982a_100015203821_200025704644 [1,1,0,0,0,0|2,0,0]=4 2163 B7R1.2 [13CH3]N1CC[C@@H](C1)F 34a_100015203821_200025704644 [1,1,0,0,0,0|2,0,0]=4 2164 B7R1.4 CC1SCCN1C 2230a_200011216479_200000210301 [1,1,0,0,0,0|1,1,0]=4 2165 B7R1.4 CC1SCCN1C 269982a_200011216479_200000210301 [1,1,0,0,0,0|1,1,0]=4 2166 B7R1.4 CC1SCCN1C 34a_200011216479_200000210301 [1,1,0,0,0,0|1,1,0]=4 2167 B7R1.4 CC1SCCN1[13CH3] 2230a_200011216479_200025704644 [1,1,0,0,0,0|1,1,0]=4 2168 B7R1.4 CC1SCCN1[13CH3] 269982a_200011216479_200025704644 [1,1,0,0,0,0|1,1,0]=4 2169 B7R1.4 CC1SCCN1[13CH3] 34a_200011216479_200025704644 [1,1,0,0,0,0|1,1,0]=4 2170 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [1,1,0,0,0,0|1,0,0]=3 2171 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [1,1,0,0,0,0|1,0,0]=3 2172 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [1,1,0,0,0,0|1,0,0]=3 2173 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [1,1,0,0,0,0|1,0,0]=3 2174 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [1,1,0,0,0,0|1,0,0]=3 2175 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [1,1,0,0,0,0|1,0,0]=3 2176 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [1,1,0,0,0,0|1,0,0]=3 2177 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [1,1,0,0,0,0|1,0,0]=3 2178 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [1,1,0,0,0,0|1,0,0]=3 2179 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [1,1,0,0,0,0|1,0,0]=3 2180 B7R1.6 C=CCN1CCC1 269982a_100000754969_100000210623 [0,1,0,0,1,0|2,0,0]=4 2181 B7R1.6 CCCN1CCC1 269982a_100000754969_100000210303 [0,1,0,0,1,0|2,0,0]=4 2182 B7R1.6 CCNC1CCC1 2230a_100000749019_100000210202 [0,1,0,0,1,0|1,0,0]=3 2183 B7R1.6 CCNC1CCC1 270004a_100015525214_100000241760 [0,1,0,0,1,0|1,0,0]=3 2184 B7R1.6 CCNC1CCC1 34a_100000749019_100000210202 [0,1,0,0,1,0|1,0,0]=3 2185 B7R1.6 CCNC1COC1 2230a_100016991112_100000210202 [0,1,0,0,1,0|2,0,0]=4 2186 B7R1.6 CCOC1CCC1 34a_100000748187_100000210202 [0,1,0,0,1,0|1,0,0]=3 2187 B7R1.6 CCOC1CCC1 34a_100121572206_100000749161 [0,1,0,0,1,0|1,0,0]=3 2188 B7R1.6 CCOC1COC1 34a_100121572206_100009818527 [0,1,0,0,1,0|2,0,0]=4 2189 B7R1.6 CCOC1CSC1 7a_100000072292_100000210202 [0,1,0,0,1,0|2,0,0]=4 2190 B7R1.6 CCSC1CCC1 62a_100000210202_100000749161 [0,1,0,0,1,0|1,0,0]=3 2191 B7R1.6 CCSC1COC1 62a_100000210202_100009818527 [0,1,0,0,1,0|2,0,0]=4 2192 B7R1.6 CNCC1CCC1 2230a_100000738700_200000210301 [0,1,0,0,1,0|1,0,0]=3 2193 B7R1.6 CNCC1CCC1 2230a_106832991635_100000763275 [0,1,0,0,1,0|1,0,0]=3 2194 B7R1.6 CNCC1CCC1 269862a_106832991636_100000753134 [0,1,0,0,1,0|1,0,0]=3 2195 B7R1.6 CNCC1CCC1 34a_100000738700_200000210301 [0,1,0,0,1,0|1,0,0]=3 2196 B7R1.6 CNCC1CCC1 34a_100102657272_100000763275 [0,1,0,0,1,0|1,0,0]=3 2197 B7R1.6 CNCC1CCC1 7a_106832991635_100000763275 [0,1,0,0,1,0|1,0,0]=3 2198 B7R1.6 CNCC1CCO1 2230a_106832991635_100000103362 [0,1,0,0,1,0|1,0,0]=3 2199 B7R1.6 CNCC1CCO1 34a_100102657272_100000103362 [0,1,0,0,1,0|1,0,0]=3 2200 B7R1.6 CNCC1CCO1 7a_106832991635_100000103362 [0,1,0,0,1,0|1,0,0]=3 2201 B7R1.6 CNCC1COC1 2230a_100015281925_200000210301 [0,1,0,0,1,0|2,0,0]=4 2202 B7R1.6 CNCC1COC1 2230a_106832991635_100010264016 [0,1,0,0,1,0|2,0,0]=4 2203 B7R1.6 CNCC1COC1 34a_100015281925_200000210301 [0,1,0,0,1,0|2,0,0]=4 2204 B7R1.6 CNCC1COC1 34a_100102657272_100010264016 [0,1,0,0,1,0|2,0,0]=4 2205 B7R1.6 CNCC1COC1 7a_106832991635_100010264016 [0,1,0,0,1,0|2,0,0]=4 2206 B7R1.6 CNC[C@@H]1CCO1 2230a_100020831831_200000210301 [0,1,0,0,1,0|1,0,0]=3 2207 B7R1.6 CNC[C@@H]1CCO1 34a_100020831831_200000210301 [0,1,0,0,1,0|1,0,0]=3 2208 B7R1.6 COCC1CCC1 34a_100000760304_200000210301 [0,1,0,0,1,0|0,0,0]=2 2209 B7R1.6 COCC1CCC1 34a_100138415774_100000763275 [0,1,0,0,1,0|0,0,0]=2 2210 B7R1.6 COCC1CCO1 34a_100000039022_200000210301 [0,1,0,0,1,0|0,0,0]=2 2211 B7R1.6 COCC1CCO1 34a_100138415774_100000103362 [0,1,0,0,1,0|0,0,0]=2 2212 B7R1.6 COCC1CNC1 34a_100016987283_200000210301 [0,1,0,0,1,0|1,0,0]=3 2213 B7R1.6 COCC1COC1 34a_100000060846_200000210301 [0,1,0,0,1,0|1,0,0]=3 2214 B7R1.6 COCC1COC1 34a_100138415774_100010264016 [0,1,0,0,1,0|1,0,0]=3 2215 B7R1.6 COCN1CCC1 269982a_100000754969_100000766300 [0,1,0,0,1,0|1,0,0]=3 2216 B7R1.6 CSCC1CCC1 62a_100000763275_200000210301 [0,1,0,0,1,0|0,1,0]=3 2217 B7R1.6 CSCC1CCC1 62a_200000210301_100000763275 [0,1,0,0,1,0|0,1,0]=3 2218 B7R1.6 CSCC1CCO1 62a_100000103362_200000210301 [0,1,0,0,1,0|0,1,0]=3 2219 B7R1.6 CSCC1CCO1 62a_200000210301_100000103362 [0,1,0,0,1,0|0,1,0]=3 2220 B7R1.6 CSCC1COC1 62a_100010264016_200000210301 [0,1,0,0,1,0|1,1,0]=4 2221 B7R1.6 CSCC1COC1 62a_200000210301_100010264016 [0,1,0,0,1,0|1,1,0]=4 2222 B7R1.6 CSCN1CCC1 269982a_100000754969_100011218213 [0,1,0,0,1,0|1,1,0]=4 2223 B7R1.6 FCCN1CCC1 269982a_100000754969_100011217306 [0,1,0,0,1,0|2,0,0]=4 2224 B7R1.6 FCNC1CCC1 34a_100000749019_100015361967 [0,1,0,0,1,0|1,0,0]=3 2225 B7R1.6 FCOC1CCC1 34a_100000748187_100015361967 [0,1,0,0,1,0|1,0,0]=3 2226 B7R1.6 FCOC1CSC1 7a_100000072292_100015361967 [0,1,0,0,1,0|2,0,0]=4 2227 B7R1.6 FCSC1CCC1 62a_100015361967_100000749161 [0,1,0,0,1,0|1,0,0]=3 2228 B7R1.6 FCSC1COC1 62a_100015361967_100009818527 [0,1,0,0,1,0|2,0,0]=4 2229 B7R1.6 N#CCN1CCC1 269982a_100000754969_100011214920 [0,1,0,0,1,0|2,0,0]=4 2230 B7R1.6 O=CCN1CCC1 269982a_100000754969_200015260668 [0,1,0,0,1,0|1,0,1]=4 2231 B7R1.6 OCCN1CCC1 269982a_100000754969_100000211926 [0,1,0,0,1,0|1,0,0]=3 2232 B7R1.6 [13CH3]NCC1CCC1 2230a_100000738700_200025704644 [0,1,0,0,1,0|1,0,0]=3 2233 B7R1.6 [13CH3]NCC1CCC1 34a_100000738700_200025704644 [0,1,0,0,1,0|1,0,0]=3 2234 B7R1.6 [13CH3]NCC1COC1 2230a_100015281925_200025704644 [0,1,0,0,1,0|2,0,0]=4 2235 B7R1.6 [13CH3]NCC1COC1 34a_100015281925_200025704644 [0,1,0,0,1,0|2,0,0]=4 2236 B7R1.6 [13CH3]NC[C@@H]1CCO1 2230a_100020831831_200025704644 [0,1,0,0,1,0|1,0,0]=3 2237 B7R1.6 [13CH3]NC[C@@H]1CCO1 34a_100020831831_200025704644 [0,1,0,0,1,0|1,0,0]=3 2238 B7R1.6 [13CH3]OCC1CCC1 34a_100000760304_200025704644 [0,1,0,0,1,0|0,0,0]=2 2239 B7R1.6 [13CH3]OCC1CCO1 34a_100000039022_200025704644 [0,1,0,0,1,0|0,0,0]=2 2240 B7R1.6 [13CH3]OCC1CNC1 34a_100016987283_200025704644 [0,1,0,0,1,0|1,0,0]=3 2241 B7R1.6 [13CH3]OCC1COC1 34a_100000060846_200025704644 [0,1,0,0,1,0|1,0,0]=3 2242 B7R1.6 [13CH3]SCC1CCC1 62a_100000763275_200025704644 [0,1,0,0,1,0|0,1,0]=3 2243 B7R1.6 [13CH3]SCC1CCC1 62a_200025704644_100000763275 [0,1,0,0,1,0|0,1,0]=3 2244 B7R1.6 [13CH3]SCC1CCO1 62a_100000103362_200025704644 [0,1,0,0,1,0|0,1,0]=3 2245 B7R1.6 [13CH3]SCC1CCO1 62a_200025704644_100000103362 [0,1,0,0,1,0|0,1,0]=3 2246 B7R1.6 [13CH3]SCC1COC1 62a_100010264016_200025704644 [0,1,0,0,1,0|1,1,0]=4 2247 B7R1.6 [13CH3]SCC1COC1 62a_200025704644_100010264016 [0,1,0,0,1,0|1,1,0]=4 2248 B7R1.8 CC1CCN1CF 269982a_100000755817_100015361967 [0,1,0,0,1,0|2,0,0]=4 2249 B7R1.8 CC1CCN1CF 34a_100000755817_100015361967 [0,1,0,0,1,0|2,0,0]=4 2250 B7R1.8 CCN1CCC1C 269982a_100000755817_100000204670 [0,1,0,0,1,0|2,0,0]=4 2251 B7R1.8 CCN1CCC1C 34a_100000755817_100000210202 [0,1,0,0,1,0|2,0,0]=4 2252 B7R1.10 CC1CN(C1)CF 269982a_100000702820_100015361967 [0,1,0,0,1,0|2,0,0]=4 2253 B7R1.10 CC1CN(C1)CF 34a_100000702820_100015361967 [0,1,0,0,1,0|2,0,0]=4 2254 B7R1.10 CCC1CN(C1)C 2230a_100015205115_200000210301 [0,1,0,0,1,0|2,0,0]=4 2255 B7R1.10 CCC1CN(C1)C 269982a_100015205115_200000210301 [0,1,0,0,1,0|2,0,0]=4 2256 B7R1.10 CCC1CN(C1)[13CH3] 2230a_100015205115_200025704644 [0,1,0,0,1,0|2,0,0]=4 2257 B7R1.10 CCC1CN(C1)[13CH3] 269982a_100015205115_200025704644 [0,1,0,0,1,0|2,0,0]=4 2258 B7R1.10 CCN1CC(C1)C 2230a_100000702820_100000210202 [0,1,0,0,1,0|2,0,0]=4 2259 B7R1.10 CCN1CC(C1)C 269982a_100000702820_100000204670 [0,1,0,0,1,0|2,0,0]=4 2260 B7R1.10 CCN1CC(C1)C 34a_100000702820_100000210202 [0,1,0,0,1,0|2,0,0]=4 2261 B7R1.10 CCN1CC(C1)F 2230a_100000690557_100000210202 [0,1,0,0,1,0|2,0,0]=4 2262 B7R1.10 CCN1CC(C1)F 269982a_100000690557_100000204670 [0,1,0,0,1,0|2,0,0]=4 2263 B7R1.10 CCN1CC(C1)F 34a_100000690557_100000210202 [0,1,0,0,1,0|2,0,0]=4 2264 B7R1.10 CCN1CC(C1)O 269982a_100000749847_100000204670 [0,1,0,0,1,0|2,0,0]=4 2265 B7R1.10 CN1CC(C1)CF 269982a_100010363649_200000210301 [0,1,0,0,1,0|2,0,0]=4 2266 B7R1.10 CN1CC(C1)CF 34a_100010363649_200000210301 [0,1,0,0,1,0|2,0,0]=4 2267 B7R1.10 CN1CC(C1)CO 269982a_100016987283_200000210301 [0,1,0,0,1,0|1,0,0]=3 2268 B7R1.10 CN1CC(C1)CO 34a_100016987283_200000210301 [0,1,0,0,1,0|1,0,0]=3 2269 B7R1.10 CNC1CC(C1)F 2230a_100016993743_200000210301 [0,1,0,0,1,0|2,0,0]=4 2270 B7R1.10 CN[C@H]1C[C@@H](C1)O 2230a_100020629032_200000210301 [0,1,0,0,1,0|2,0,0]=4 2271 B7R1.10 FCN1CC(C1)F 269982a_100000690557_100015361967 [0,1,0,0,1,0|2,0,0]=4 2272 B7R1.10 FCN1CC(C1)F 34a_100000690557_100015361967 [0,1,0,0,1,0|2,0,0]=4 2273 B7R1.10 OC1CN(C1)CF 269982a_100000749847_100015361967 [0,1,0,0,1,0|2,0,0]=4 2274 B7R1.10 [13CH3]N1CC(C1)CF 269982a_100010363649_200025704644 [0,1,0,0,1,0|2,0,0]=4 2275 B7R1.10 [13CH3]N1CC(C1)CF 34a_100010363649_200025704644 [0,1,0,0,1,0|2,0,0]=4 2276 B7R1.10 [13CH3]N1CC(C1)CO 269982a_100016987283_200025704644 [0,1,0,0,1,0|1,0,0]=3 2277 B7R1.10 [13CH3]N1CC(C1)CO 34a_100016987283_200025704644 [0,1,0,0,1,0|1,0,0]=3 2278 B7R1.10 [13CH3]NC1CC(C1)F 2230a_100016993743_200025704644 [0,1,0,0,1,0|2,0,0]=4 2279 B7R1.10 [13CH3]N[C@H]1C[C@@H](C1)O 2230a_100020629032_200025704644 [0,1,0,0,1,0|2,0,0]=4 2280 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [0,1,0,0,1,0|0,0,2]=4 2281 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [0,1,0,0,1,0|0,0,2]=4 2282 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [0,1,0,0,1,0|0,0,2]=4 2283 B7R1.18 CC(C)N1CCC1 269982a_100000754969_100000210206 [0,1,0,0,1,0|2,0,0]=4 2284 B7R1.18 CN(C)C1CCC1 2230a_100000758072_200000210301 [0,1,0,0,1,0|2,0,0]=4 2285 B7R1.18 CN(C)C1CCC1 269982a_100000758072_200000210301 [0,1,0,0,1,0|2,0,0]=4 2286 B7R1.18 CN(C)C1CCC1 269982a_100102631434_100000749161 [0,1,0,0,1,0|2,0,0]=4 2287 B7R1.18 CN(C)C1CCC1 270004a_100102631434_100000241760 [0,1,0,0,1,0|2,0,0]=4 2288 B7R1.18 CN(C)C1CCC1 34a_100000758072_200000210301 [0,1,0,0,1,0|2,0,0]=4 2289 B7R1.18 CN([13CH3])C1CCC1 2230a_100000758072_200025704644 [0,1,0,0,1,0|2,0,0]=4 2290 B7R1.18 CN([13CH3])C1CCC1 269982a_100000758072_200025704644 [0,1,0,0,1,0|2,0,0]=4 2291 B7R1.18 CN([13CH3])C1CCC1 34a_100000758072_200025704644 [0,1,0,0,1,0|2,0,0]=4 2292 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [0,1,0,0,1,0|0,0,2]=4 2293 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [0,1,0,0,1,0|0,0,2]=4 2294 B7R1.25 CC1(CCC1)N[13CH3] 2230a_100000692455_200025704644 [0,1,0,0,1,0|2,0,0]=4 2295 B7R1.25 CC1(CCC1)N[13CH3] 34a_100000692455_200025704644 [0,1,0,0,1,0|2,0,0]=4 2296 B7R1.25 CC1(CCC1)O[13CH3] 34a_100000759064_200025704644 [0,1,0,0,1,0|2,0,0]=4 2297 B7R1.25 CC1(CCC1)O[13CH3] 7a_100000759064_200025704644 [0,1,0,0,1,0|2,0,0]=4 2298 B7R1.25 CNC1(CCC1)C 2230a_100000692455_200000210301 [0,1,0,0,1,0|2,0,0]=4 2299 B7R1.25 CNC1(CCC1)C 34a_100000692455_200000210301 [0,1,0,0,1,0|2,0,0]=4 2300 B7R1.25 COC1(CCC1)C 34a_100000759064_200000210301 [0,1,0,0,1,0|2,0,0]=4 2301 B7R1.25 COC1(CCC1)C 7a_100000759064_200000210301 [0,1,0,0,1,0|2,0,0]=4 2302 B9R1.1 CCC1CCN(CC1)C 2230a_100000754474_200000210301 [0,1,0,0,0,1|2,0,0]=4 2303 B9R1.1 CCC1CCN(CC1)C 269982a_100000754474_200000210301 [0,1,0,0,0,1|2,0,0]=4 2304 B9R1.1 CCC1CCN(CC1)C 34a_100000754474_200000210301 [0,1,0,0,0,1|2,0,0]=4 2305 B9R1.1 CCC1CCN(CC1)[13CH3] 2230a_100000754474_200025704644 [0,1,0,0,0,1|2,0,0]=4 2306 B9R1.1 CCC1CCN(CC1)[13CH3] 269982a_100000754474_200025704644 [0,1,0,0,0,1|2,0,0]=4 2307 B9R1.1 CCC1CCN(CC1)[13CH3] 34a_100000754474_200025704644 [0,1,0,0,0,1|2,0,0]=4 2308 B9R1.1 CN1CCC(CC1)CF 2230a_100015203933_200000210301 [0,1,0,0,0,1|2,0,0]=4 2309 B9R1.1 CN1CCC(CC1)CF 269982a_100015203933_200000210301 [0,1,0,0,0,1|2,0,0]=4 2310 B9R1.1 CN1CCC(CC1)CF 34a_100015203933_200000210301 [0,1,0,0,0,1|2,0,0]=4 2311 B9R1.1 CN1CCC(CC1)CO 2230a_100000738675_200000210301 [0,1,0,0,0,1|1,0,0]=3 2312 B9R1.1 CN1CCC(CC1)CO 269982a_100000738675_200000210301 [0,1,0,0,0,1|1,0,0]=3 2313 B9R1.1 CN1CCC(CC1)CO 34a_100000738675_200000210301 [0,1,0,0,0,1|1,0,0]=3 2314 B9R1.1 [13CH3]N1CCC(CC1)CF 2230a_100015203933_200025704644 [0,1,0,0,0,1|2,0,0]=4 2315 B9R1.1 [13CH3]N1CCC(CC1)CF 269982a_100015203933_200025704644 [0,1,0,0,0,1|2,0,0]=4 2316 B9R1.1 [13CH3]N1CCC(CC1)CF 34a_100015203933_200025704644 [0,1,0,0,0,1|2,0,0]=4 2317 B9R1.1 [13CH3]N1CCC(CC1)CO 2230a_100000738675_200025704644 [0,1,0,0,0,1|1,0,0]=3 2318 B9R1.1 [13CH3]N1CCC(CC1)CO 269982a_100000738675_200025704644 [0,1,0,0,0,1|1,0,0]=3 2319 B9R1.1 [13CH3]N1CCC(CC1)CO 34a_100000738675_200025704644 [0,1,0,0,0,1|1,0,0]=3 2320 B9R1.2 CCC1CN(CCO1)C 2230a_100000736320_200000210301 [0,1,0,0,0,1|1,0,0]=3 2321 B9R1.2 CCC1CN(CCO1)C 269982a_100000736320_200000210301 [0,1,0,0,0,1|1,0,0]=3 2322 B9R1.2 CCC1CN(CCO1)C 34a_100000736320_200000210301 [0,1,0,0,0,1|1,0,0]=3 2323 B9R1.2 CCC1CN(CCO1)[13CH3] 2230a_100000736320_200025704644 [0,1,0,0,0,1|1,0,0]=3 2324 B9R1.2 CCC1CN(CCO1)[13CH3] 269982a_100000736320_200025704644 [0,1,0,0,0,1|1,0,0]=3 2325 B9R1.2 CCC1CN(CCO1)[13CH3] 34a_100000736320_200025704644 [0,1,0,0,0,1|1,0,0]=3 2326 B9R1.2 CN1CCCC(C1)CF 2230a_100016992999_200000210301 [0,1,0,0,0,1|2,0,0]=4 2327 B9R1.2 CN1CCCC(C1)CF 269982a_100016992999_200000210301 [0,1,0,0,0,1|2,0,0]=4 2328 B9R1.2 CN1CCCC(C1)CF 34a_100016992999_200000210301 [0,1,0,0,0,1|2,0,0]=4 2329 B9R1.2 CN1CCCC(C1)CO 2230a_100000211344_200000210301 [0,1,0,0,0,1|1,0,0]=3 2330 B9R1.2 CN1CCCC(C1)CO 269982a_100000211344_200000210301 [0,1,0,0,0,1|1,0,0]=3 2331 B9R1.2 CN1CCCC(C1)CO 34a_100000211344_200000210301 [0,1,0,0,0,1|1,0,0]=3 2332 B9R1.2 CN1CCOC(C1)C#N 2230a_100000752543_200000210301 [0,1,0,0,0,1|1,0,1]=4 2333 B9R1.2 CN1CCOC(C1)C#N 34a_100000752543_200000210301 [0,1,0,0,0,1|1,0,1]=4 2334 B9R1.2 CN1CCO[C@@H](C1)CO 2230a_100015189573_200000210301 [0,1,0,0,0,1|0,0,0]=2 2335 B9R1.2 CN1CCO[C@@H](C1)CO 269982a_100015189573_200000210301 [0,1,0,0,0,1|0,0,0]=2 2336 B9R1.2 CN1CCO[C@@H](C1)CO 34a_100015189573_200000210301 [0,1,0,0,0,1|0,0,0]=2 2337 B9R1.2 [13CH3]N1CCCC(C1)CF 2230a_100016992999_200025704644 [0,1,0,0,0,1|2,0,0]=4 2338 B9R1.2 [13CH3]N1CCCC(C1)CF 269982a_100016992999_200025704644 [0,1,0,0,0,1|2,0,0]=4 2339 B9R1.2 [13CH3]N1CCCC(C1)CF 34a_100016992999_200025704644 [0,1,0,0,0,1|2,0,0]=4 2340 B9R1.2 [13CH3]N1CCCC(C1)CO 2230a_100000211344_200025704644 [0,1,0,0,0,1|1,0,0]=3 2341 B9R1.2 [13CH3]N1CCCC(C1)CO 269982a_100000211344_200025704644 [0,1,0,0,0,1|1,0,0]=3 2342 B9R1.2 [13CH3]N1CCCC(C1)CO 34a_100000211344_200025704644 [0,1,0,0,0,1|1,0,0]=3 2343 B9R1.2 [13CH3]N1CCOC(C1)C#N 2230a_100000752543_200025704644 [0,1,0,0,0,1|1,0,1]=4 2344 B9R1.2 [13CH3]N1CCOC(C1)C#N 34a_100000752543_200025704644 [0,1,0,0,0,1|1,0,1]=4 2345 B9R1.2 [13CH3]N1CCO[C@@H](C1)CO 2230a_100015189573_200025704644 [0,1,0,0,0,1|0,0,0]=2 2346 B9R1.2 [13CH3]N1CCO[C@@H](C1)CO 269982a_100015189573_200025704644 [0,1,0,0,0,1|0,0,0]=2 2347 B9R1.2 [13CH3]N1CCO[C@@H](C1)CO 34a_100015189573_200025704644 [0,1,0,0,0,1|0,0,0]=2 2348 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [0,1,0,0,0,1|0,0,2]=4 2349 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [0,1,0,0,0,1|0,0,2]=4 2350 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [0,1,0,0,0,1|0,0,2]=4 2351 B9R1.6 CC(=O)C1COCCO1 1458a_100000045528_200000210301 [0,1,0,0,0,1|0,0,2]=4 2352 B9R1.6 CC(C)N1CCCOC1 2230a_100000131196_100000210206 [0,1,0,0,0,1|2,0,0]=4 2353 B9R1.6 CC(C)N1CCCOC1 269982a_100000131196_100000210206 [0,1,0,0,0,1|2,0,0]=4 2354 B9R1.6 CC(C)N1CCCOC1 34a_100000131196_100000210206 [0,1,0,0,0,1|2,0,0]=4 2355 B9R1.6 CN(C)C1CCCOC1 269982a_100102631434_100000693364 [0,1,0,0,0,1|2,0,0]=4 2356 B9R1.6 CN(C)C1CCCOC1 270004a_100102631434_100000753404 [0,1,0,0,0,1|2,0,0]=4 2357 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [0,1,0,0,0,1|0,0,2]=4 2358 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [0,1,0,0,0,1|0,0,2]=4 2359 B9R1.6 [13CH3]C(=O)C1COCCO1 1458a_100000045528_200025704644 [0,1,0,0,0,1|0,0,2]=4 2360 B9R1.8 C#CCN1CCCOC1 2230a_100000131196_100000038162 [0,1,0,0,0,1|2,0,0]=4 2361 B9R1.8 C#CCN1CCCOC1 34a_100000131196_100000184674 [0,1,0,0,0,1|2,0,0]=4 2362 B9R1.8 C=CCN1CCCOC1 2230a_100000131196_100000210623 [0,1,0,0,0,1|2,0,0]=4 2363 B9R1.8 C=CCN1CCCOC1 269982a_100000131196_100000210623 [0,1,0,0,0,1|2,0,0]=4 2364 B9R1.8 C=CCN1CCCOC1 34a_100000131196_100015514636 [0,1,0,0,0,1|2,0,0]=4 2365 B9R1.8 CCCN1CCCOC1 2230a_100000131196_100000210303 [0,1,0,0,0,1|2,0,0]=4 2366 B9R1.8 CCCN1CCCOC1 269982a_100000131196_100000210303 [0,1,0,0,0,1|2,0,0]=4 2367 B9R1.8 CCCN1CCCOC1 34a_100000131196_100000210303 [0,1,0,0,0,1|2,0,0]=4 2368 B9R1.8 CCNC1C=CCCC1 2230a_100015525214_100000751183 [0,1,0,0,0,1|2,0,0]=4 2369 B9R1.8 CCNC1CCCCC1 2230a_100000182618_100000210202 [0,1,0,0,0,1|2,0,0]=4 2370 B9R1.8 CCNC1CCCCC1 270004a_100015525214_100000210434 [0,1,0,0,0,1|2,0,0]=4 2371 B9R1.8 CCNC1CCCCC1 34a_100000182618_100000210202 [0,1,0,0,0,1|2,0,0]=4 2372 B9R1.8 CCNC1CCCOC1 2230a_100000719290_100000210202 [0,1,0,0,0,1|1,0,0]=3 2373 B9R1.8 CCNC1CCCOC1 270004a_100015525214_100000753404 [0,1,0,0,0,1|1,0,0]=3 2374 B9R1.8 CCNC1CCCOC1 34a_100000719290_100000210202 [0,1,0,0,0,1|1,0,0]=3 2375 B9R1.8 CCNC1CCCSC1 270004a_100015525214_100000057913 [0,1,0,0,0,1|1,1,0]=4 2376 B9R1.8 CCNC1CCNCC1 270004a_100015525214_100015192401 [0,1,0,0,0,1|2,0,0]=4 2377 B9R1.8 CCNC1CCOCC1 2230a_100000741149_100000210202 [0,1,0,0,0,1|2,0,0]=4 2378 B9R1.8 CCNC1CCOCC1 270004a_100015525214_100011217826 [0,1,0,0,0,1|2,0,0]=4 2379 B9R1.8 CCNC1CCOCC1 34a_100000741149_100000210202 [0,1,0,0,0,1|2,0,0]=4 2380 B9R1.8 CCNC1CCSCC1 2230a_100000748639_100000210202 [0,1,0,0,0,1|2,0,0]=4 2381 B9R1.8 CCNC1CCSCC1 270004a_100015525214_100000203788 [0,1,0,0,0,1|2,0,0]=4 2382 B9R1.8 CCNC1CCSCC1 34a_100000748639_100000210202 [0,1,0,0,0,1|2,0,0]=4 2383 B9R1.8 CCOC1C=CCCC1 34a_100011215024_100000210202 [0,1,0,0,0,1|2,0,0]=4 2384 B9R1.8 CCOC1CCCCC1 34a_100000210231_100000210202 [0,1,0,0,0,1|2,0,0]=4 2385 B9R1.8 CCOC1CCCCC1 34a_100121572206_100000210327 [0,1,0,0,0,1|2,0,0]=4 2386 B9R1.8 CCOC1CCCCC1 7a_100000210231_100000210202 [0,1,0,0,0,1|2,0,0]=4 2387 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [0,1,0,0,0,1|1,0,0]=3 2388 B9R1.8 CCOC1CCCOC1 34a_100000754041_100000210202 [0,1,0,0,0,1|1,0,0]=3 2389 B9R1.8 CCOC1CCCOC1 34a_100121572206_100000693364 [0,1,0,0,0,1|1,0,0]=3 2390 B9R1.8 CCOC1CCCSC1 7a_100015962668_100000210202 [0,1,0,0,0,1|1,1,0]=4 2391 B9R1.8 CCOC1CCOCC1 34a_100000744328_100000210202 [0,1,0,0,0,1|2,0,0]=4 2392 B9R1.8 CCOC1CCSCC1 34a_100000731022_100000210202 [0,1,0,0,0,1|2,0,0]=4 2393 B9R1.8 CCOC1CCSCC1 34a_100121572206_100000069128 [0,1,0,0,0,1|2,0,0]=4 2394 B9R1.8 CCOC1CCSCC1 7a_100000731022_100000210202 [0,1,0,0,0,1|2,0,0]=4 2395 B9R1.8 CCSC1C=CCCC1 62a_100000210202_100000751183 [0,1,0,0,0,1|2,0,0]=4 2396 B9R1.8 CCSC1C=CCCC1 62a_100000751183_100000210202 [0,1,0,0,0,1|2,0,0]=4 2397 B9R1.8 CCSC1CCCCC1 62a_100000210202_100000210327 [0,1,0,0,0,1|2,0,0]=4 2398 B9R1.8 CCSC1CCCCC1 62a_100000210327_100000210202 [0,1,0,0,0,1|2,0,0]=4 2399 B9R1.8 CCSC1CCCOC1 62a_100000210202_100000693364 [0,1,0,0,0,1|1,0,0]=3 2400 B9R1.8 CCSC1CCOCC1 62a_100000210202_100011324220 [0,1,0,0,0,1|2,0,0]=4 2401 B9R1.8 CCSC1CCSCC1 62a_100000210202_100000069128 [0,1,0,0,0,1|2,0,0]=4 2402 B9R1.8 CNCC1CCCCC1 2230a_100000210473_200000210301 [0,1,0,0,0,1|2,0,0]=4 2403 B9R1.8 CNCC1CCCCC1 2230a_106832991635_100000211423 [0,1,0,0,0,1|2,0,0]=4 2404 B9R1.8 CNCC1CCCCC1 269862a_106832991636_100000211278 [0,1,0,0,0,1|2,0,0]=4 2405 B9R1.8 CNCC1CCCCC1 34a_100000210473_200000210301 [0,1,0,0,0,1|2,0,0]=4 2406 B9R1.8 CNCC1CCCCC1 34a_100102657272_100000211423 [0,1,0,0,0,1|2,0,0]=4 2407 B9R1.8 CNCC1CCCCC1 7a_106832991635_100000211423 [0,1,0,0,0,1|2,0,0]=4 2408 B9R1.8 CNCC1CCCCO1 2230a_100000174945_200000210301 [0,1,0,0,0,1|1,0,0]=3 2409 B9R1.8 CNCC1CCCCO1 2230a_106832991635_100000211543 [0,1,0,0,0,1|1,0,0]=3 2410 B9R1.8 CNCC1CCCCO1 34a_100000174945_200000210301 [0,1,0,0,0,1|1,0,0]=3 2411 B9R1.8 CNCC1CCCCO1 34a_100102657272_100000211543 [0,1,0,0,0,1|1,0,0]=3 2412 B9R1.8 CNCC1CCCCO1 7a_106832991635_100000211543 [0,1,0,0,0,1|1,0,0]=3 2413 B9R1.8 CNCC1CCCOC1 2230a_100000720124_200000210301 [0,1,0,0,0,1|1,0,0]=3 2414 B9R1.8 CNCC1CCCOC1 2230a_106832991635_100000741521 [0,1,0,0,0,1|1,0,0]=3 2415 B9R1.8 CNCC1CCCOC1 34a_100000720124_200000210301 [0,1,0,0,0,1|1,0,0]=3 2416 B9R1.8 CNCC1CCCOC1 34a_100102657272_100000741521 [0,1,0,0,0,1|1,0,0]=3 2417 B9R1.8 CNCC1CCCOC1 7a_106832991635_100000741521 [0,1,0,0,0,1|1,0,0]=3 2418 B9R1.8 CNCC1CCOCC1 2230a_100000746373_200000210301 [0,1,0,0,0,1|2,0,0]=4 2419 B9R1.8 CNCC1CCOCC1 2230a_106832991635_100000754603 [0,1,0,0,0,1|2,0,0]=4 2420 B9R1.8 CNCC1CCOCC1 269862a_106832991636_100000749017 [0,1,0,0,0,1|2,0,0]=4 2421 B9R1.8 CNCC1CCOCC1 34a_100000746373_200000210301 [0,1,0,0,0,1|2,0,0]=4 2422 B9R1.8 CNCC1CCOCC1 34a_100102657272_100000754603 [0,1,0,0,0,1|2,0,0]=4 2423 B9R1.8 CNCC1CCOCC1 7a_106832991635_100000754603 [0,1,0,0,0,1|2,0,0]=4 2424 B9R1.8 CNCC1CCSCC1 2230a_100015188806_200000210301 [0,1,0,0,0,1|2,0,0]=4 2425 B9R1.8 CNCC1CCSCC1 269862a_106832991636_100000067145 [0,1,0,0,0,1|2,0,0]=4 2426 B9R1.8 CNCC1CCSCC1 270004a_106832991635_100000067145 [0,1,0,0,0,1|2,0,0]=4 2427 B9R1.8 CNCC1CCSCC1 34a_100015188806_200000210301 [0,1,0,0,0,1|2,0,0]=4 2428 B9R1.8 CNC[C@H]1COCCO1 2230a_100010981119_200000210301 [0,1,0,0,0,1|1,0,0]=3 2429 B9R1.8 CNC[C@H]1COCCO1 34a_100010981119_200000210301 [0,1,0,0,0,1|1,0,0]=3 2430 B9R1.8 COCC1CC=CCC1 34a_100000210713_200000210301 [0,1,0,0,0,1|1,0,1]=4 2431 B9R1.8 COCC1CCC=CO1 34a_100011217868_200000210301 [0,1,0,0,0,1|0,0,1]=3 2432 B9R1.8 COCC1CCCCC1 34a_100000212181_200000210301 [0,1,0,0,0,1|1,0,0]=3 2433 B9R1.8 COCC1CCCCC1 34a_100138415774_100000211423 [0,1,0,0,0,1|1,0,0]=3 2434 B9R1.8 COCC1CCCCC1 7a_100000212181_200000210301 [0,1,0,0,0,1|1,0,0]=3 2435 B9R1.8 COCC1CCCCN1 34a_100000210821_200000210301 [0,1,0,0,0,1|1,0,0]=3 2436 B9R1.8 COCC1CCCCO1 34a_100000211370_200000210301 [0,1,0,0,0,1|0,0,0]=2 2437 B9R1.8 COCC1CCCCO1 34a_100138415774_100000211543 [0,1,0,0,0,1|0,0,0]=2 2438 B9R1.8 COCC1CCCCO1 7a_100000211370_200000210301 [0,1,0,0,0,1|0,0,0]=2 2439 B9R1.8 COCC1CCCNC1 34a_100000211344_200000210301 [0,1,0,0,0,1|1,0,0]=3 2440 B9R1.8 COCC1CCCOC1 34a_100000741520_200000210301 [0,1,0,0,0,1|0,0,0]=2 2441 B9R1.8 COCC1CCCOC1 34a_100138415774_100000741521 [0,1,0,0,0,1|0,0,0]=2 2442 B9R1.8 COCC1CCNCC1 34a_100000738675_200000210301 [0,1,0,0,0,1|1,0,0]=3 2443 B9R1.8 COCC1CCOCC1 34a_100000749013_200000210301 [0,1,0,0,0,1|1,0,0]=3 2444 B9R1.8 COCC1CCOCC1 34a_100138415774_100000754603 [0,1,0,0,0,1|1,0,0]=3 2445 B9R1.8 COCC1CCSCC1 34a_100000070558_200000210301 [0,1,0,0,0,1|1,0,0]=3 2446 B9R1.8 COCC1CCSCC1 7a_100000070558_200000210301 [0,1,0,0,0,1|1,0,0]=3 2447 B9R1.8 COCN1CCCOC1 2230a_100000131196_100000766300 [0,1,0,0,0,1|1,0,0]=3 2448 B9R1.8 COCN1CCCOC1 269982a_100000131196_100000766300 [0,1,0,0,0,1|1,0,0]=3 2449 B9R1.8 COCN1CCOCC1 2230a_100015191051_100000766300 [0,1,0,0,0,1|2,0,0]=4 2450 B9R1.8 COCN1CCOCC1 269982a_100015191051_100000766300 [0,1,0,0,0,1|2,0,0]=4 2451 B9R1.8 COCN1CCSCC1 2230a_100000737611_100000766300 [0,1,0,0,0,1|2,0,0]=4 2452 B9R1.8 COCN1CCSCC1 269982a_100000737611_100000766300 [0,1,0,0,0,1|2,0,0]=4 2453 B9R1.8 COC[C@@H]1CNCCO1 34a_100015189573_200000210301 [0,1,0,0,0,1|0,0,0]=2 2454 B9R1.8 COC[C@@H]1COCCN1 34a_100000717676_200000210301 [0,1,0,0,0,1|1,0,0]=3 2455 B9R1.8 COC[C@H]1COCCO1 34a_100009875890_200000210301 [0,1,0,0,0,1|0,0,0]=2 2456 B9R1.8 CSCC1CCCCC1 62a_100000211423_200000210301 [0,1,0,0,0,1|1,1,0]=4 2457 B9R1.8 CSCC1CCCCC1 62a_200000210301_100000211423 [0,1,0,0,0,1|1,1,0]=4 2458 B9R1.8 CSCC1CCCCO1 62a_100000211543_200000210301 [0,1,0,0,0,1|0,1,0]=3 2459 B9R1.8 CSCC1CCCCO1 62a_200000210301_100000211543 [0,1,0,0,0,1|0,1,0]=3 2460 B9R1.8 CSCC1CCCOC1 62a_100000741521_200000210301 [0,1,0,0,0,1|0,1,0]=3 2461 B9R1.8 CSCC1CCCOC1 62a_200000210301_100000741521 [0,1,0,0,0,1|0,1,0]=3 2462 B9R1.8 CSCC1CCOCC1 62a_100000754603_200000210301 [0,1,0,0,0,1|1,1,0]=4 2463 B9R1.8 CSCC1CCOCC1 62a_200000210301_100000749018 [0,1,0,0,0,1|1,1,0]=4 2464 B9R1.8 CSCN1CCCOC1 2230a_100000131196_100011218213 [0,1,0,0,0,1|1,1,0]=4 2465 B9R1.8 CSCN1CCCOC1 269982a_100000131196_100011218213 [0,1,0,0,0,1|1,1,0]=4 2466 B9R1.8 CSCN1CCCOC1 34a_100000131196_100011218213 [0,1,0,0,0,1|1,1,0]=4 2467 B9R1.8 FCCN1CCCOC1 2230a_100000131196_100011217306 [0,1,0,0,0,1|2,0,0]=4 2468 B9R1.8 FCCN1CCCOC1 269982a_100000131196_100011217306 [0,1,0,0,0,1|2,0,0]=4 2469 B9R1.8 FCCN1CCCOC1 34a_100000131196_100011217306 [0,1,0,0,0,1|2,0,0]=4 2470 B9R1.8 FCNC1CCCCC1 34a_100000182618_100015361967 [0,1,0,0,0,1|2,0,0]=4 2471 B9R1.8 FCNC1CCCOC1 34a_100000719290_100015361967 [0,1,0,0,0,1|1,0,0]=3 2472 B9R1.8 FCNC1CCOCC1 34a_100000741149_100015361967 [0,1,0,0,0,1|2,0,0]=4 2473 B9R1.8 FCNC1CCSCC1 34a_100000748639_100015361967 [0,1,0,0,0,1|2,0,0]=4 2474 B9R1.8 FCOC1C=CCCC1 34a_100011215024_100015361967 [0,1,0,0,0,1|2,0,0]=4 2475 B9R1.8 FCOC1CCCCC1 34a_100000210231_100015361967 [0,1,0,0,0,1|2,0,0]=4 2476 B9R1.8 FCOC1CCCCC1 7a_100000210231_100015361967 [0,1,0,0,0,1|2,0,0]=4 2477 B9R1.8 FCOC1CCCCO1 34a_100000033831_100015361967 [0,1,0,0,0,1|1,0,0]=3 2478 B9R1.8 FCOC1CCCOC1 34a_100000754041_100015361967 [0,1,0,0,0,1|1,0,0]=3 2479 B9R1.8 FCOC1CCCSC1 7a_100015962668_100015361967 [0,1,0,0,0,1|1,1,0]=4 2480 B9R1.8 FCOC1CCOCC1 34a_100000744328_100015361967 [0,1,0,0,0,1|2,0,0]=4 2481 B9R1.8 FCOC1CCSCC1 34a_100000731022_100015361967 [0,1,0,0,0,1|2,0,0]=4 2482 B9R1.8 FCOC1CCSCC1 7a_100000731022_100015361967 [0,1,0,0,0,1|2,0,0]=4 2483 B9R1.8 FCSC1C=CCCC1 62a_100000751183_100015361967 [0,1,0,0,0,1|2,0,0]=4 2484 B9R1.8 FCSC1C=CCCC1 62a_100015361967_100000751183 [0,1,0,0,0,1|2,0,0]=4 2485 B9R1.8 FCSC1CCCCC1 62a_100000210327_100015361967 [0,1,0,0,0,1|2,0,0]=4 2486 B9R1.8 FCSC1CCCCC1 62a_100015361967_100000210327 [0,1,0,0,0,1|2,0,0]=4 2487 B9R1.8 FCSC1CCCOC1 62a_100015361967_100000693364 [0,1,0,0,0,1|1,0,0]=3 2488 B9R1.8 FCSC1CCOCC1 62a_100015361967_100011324220 [0,1,0,0,0,1|2,0,0]=4 2489 B9R1.8 FCSC1CCSCC1 62a_100015361967_100000069128 [0,1,0,0,0,1|2,0,0]=4 2490 B9R1.8 N#CCN1CCCOC1 2230a_100000131196_100011215382 [0,1,0,0,0,1|2,0,0]=4 2491 B9R1.8 N#CCN1CCCOC1 269982a_100000131196_100011214920 [0,1,0,0,0,1|2,0,0]=4 2492 B9R1.8 O=CCN1CCCOC1 2230a_100000131196_200015260668 [0,1,0,0,0,1|1,0,1]=4 2493 B9R1.8 O=CCN1CCCOC1 269982a_100000131196_200015260668 [0,1,0,0,0,1|1,0,1]=4 2494 B9R1.8 O=CCN1CCCOC1 34a_100000131196_200009817547 [0,1,0,0,0,1|1,0,1]=4 2495 B9R1.8 OCCN1CCCOC1 2230a_100000131196_100000211926 [0,1,0,0,0,1|1,0,0]=3 2496 B9R1.8 OCCN1CCCOC1 269982a_100000131196_100000211926 [0,1,0,0,0,1|1,0,0]=3 2497 B9R1.8 OCCN1CCCOC1 34a_100000131196_100000211926 [0,1,0,0,0,1|1,0,0]=3 2498 B9R1.8 OCCN1CCOCC1 2230a_100015191051_100000211926 [0,1,0,0,0,1|2,0,0]=4 2499 B9R1.8 OCCN1CCOCC1 269982a_100015191051_100000211926 [0,1,0,0,0,1|2,0,0]=4 2500 B9R1.8 OCCN1CCOCC1 34a_100015191051_100000211926 [0,1,0,0,0,1|2,0,0]=4 2501 B9R1.8 OCCN1CCSCC1 2230a_100000737611_100000211926 [0,1,0,0,0,1|2,0,0]=4 2502 B9R1.8 OCCN1CCSCC1 269982a_100000737611_100000211926 [0,1,0,0,0,1|2,0,0]=4 2503 B9R1.8 [13CH3]NCC1CCCCC1 2230a_100000210473_200025704644 [0,1,0,0,0,1|2,0,0]=4 2504 B9R1.8 [13CH3]NCC1CCCCC1 34a_100000210473_200025704644 [0,1,0,0,0,1|2,0,0]=4 2505 B9R1.8 [13CH3]NCC1CCCCO1 2230a_100000174945_200025704644 [0,1,0,0,0,1|1,0,0]=3 2506 B9R1.8 [13CH3]NCC1CCCCO1 34a_100000174945_200025704644 [0,1,0,0,0,1|1,0,0]=3 2507 B9R1.8 [13CH3]NCC1CCCOC1 2230a_100000720124_200025704644 [0,1,0,0,0,1|1,0,0]=3 2508 B9R1.8 [13CH3]NCC1CCCOC1 34a_100000720124_200025704644 [0,1,0,0,0,1|1,0,0]=3 2509 B9R1.8 [13CH3]NCC1CCOCC1 2230a_100000746373_200025704644 [0,1,0,0,0,1|2,0,0]=4 2510 B9R1.8 [13CH3]NCC1CCOCC1 34a_100000746373_200025704644 [0,1,0,0,0,1|2,0,0]=4 2511 B9R1.8 [13CH3]NCC1CCSCC1 2230a_100015188806_200025704644 [0,1,0,0,0,1|2,0,0]=4 2512 B9R1.8 [13CH3]NCC1CCSCC1 34a_100015188806_200025704644 [0,1,0,0,0,1|2,0,0]=4 2513 B9R1.8 [13CH3]NC[C@H]1COCCO1 2230a_100010981119_200025704644 [0,1,0,0,0,1|1,0,0]=3 2514 B9R1.8 [13CH3]NC[C@H]1COCCO1 34a_100010981119_200025704644 [0,1,0,0,0,1|1,0,0]=3 2515 B9R1.8 [13CH3]OCC1CC=CCC1 34a_100000210713_200025704644 [0,1,0,0,0,1|1,0,1]=4 2516 B9R1.8 [13CH3]OCC1CCC=CO1 34a_100011217868_200025704644 [0,1,0,0,0,1|0,0,1]=3 2517 B9R1.8 [13CH3]OCC1CCCCC1 34a_100000212181_200025704644 [0,1,0,0,0,1|1,0,0]=3 2518 B9R1.8 [13CH3]OCC1CCCCC1 7a_100000212181_200025704644 [0,1,0,0,0,1|1,0,0]=3 2519 B9R1.8 [13CH3]OCC1CCCCN1 34a_100000210821_200025704644 [0,1,0,0,0,1|1,0,0]=3 2520 B9R1.8 [13CH3]OCC1CCCCO1 34a_100000211370_200025704644 [0,1,0,0,0,1|0,0,0]=2 2521 B9R1.8 [13CH3]OCC1CCCCO1 7a_100000211370_200025704644 [0,1,0,0,0,1|0,0,0]=2 2522 B9R1.8 [13CH3]OCC1CCCNC1 34a_100000211344_200025704644 [0,1,0,0,0,1|1,0,0]=3 2523 B9R1.8 [13CH3]OCC1CCCOC1 34a_100000741520_200025704644 [0,1,0,0,0,1|0,0,0]=2 2524 B9R1.8 [13CH3]OCC1CCNCC1 34a_100000738675_200025704644 [0,1,0,0,0,1|1,0,0]=3 2525 B9R1.8 [13CH3]OCC1CCOCC1 34a_100000749013_200025704644 [0,1,0,0,0,1|1,0,0]=3 2526 B9R1.8 [13CH3]OCC1CCSCC1 34a_100000070558_200025704644 [0,1,0,0,0,1|1,0,0]=3 2527 B9R1.8 [13CH3]OCC1CCSCC1 7a_100000070558_200025704644 [0,1,0,0,0,1|1,0,0]=3 2528 B9R1.8 [13CH3]OC[C@@H]1CNCCO1 34a_100015189573_200025704644 [0,1,0,0,0,1|0,0,0]=2 2529 B9R1.8 [13CH3]OC[C@@H]1COCCN1 34a_100000717676_200025704644 [0,1,0,0,0,1|1,0,0]=3 2530 B9R1.8 [13CH3]OC[C@H]1COCCO1 34a_100009875890_200025704644 [0,1,0,0,0,1|0,0,0]=2 2531 B9R1.8 [13CH3]SCC1CCCCC1 62a_100000211423_200025704644 [0,1,0,0,0,1|1,1,0]=4 2532 B9R1.8 [13CH3]SCC1CCCCC1 62a_200025704644_100000211423 [0,1,0,0,0,1|1,1,0]=4 2533 B9R1.8 [13CH3]SCC1CCCCO1 62a_100000211543_200025704644 [0,1,0,0,0,1|0,1,0]=3 2534 B9R1.8 [13CH3]SCC1CCCCO1 62a_200025704644_100000211543 [0,1,0,0,0,1|0,1,0]=3 2535 B9R1.8 [13CH3]SCC1CCCOC1 62a_100000741521_200025704644 [0,1,0,0,0,1|0,1,0]=3 2536 B9R1.8 [13CH3]SCC1CCCOC1 62a_200025704644_100000741521 [0,1,0,0,0,1|0,1,0]=3 2537 B9R1.8 [13CH3]SCC1CCOCC1 62a_100000754603_200025704644 [0,1,0,0,0,1|1,1,0]=4 2538 B9R1.8 [13CH3]SCC1CCOCC1 62a_200025704644_100000749018 [0,1,0,0,0,1|1,1,0]=4 2539 B9R1.15 CCC1CCCCN1C 2230a_100000210034_200000210301 [0,1,0,0,0,1|2,0,0]=4 2540 B9R1.15 CCC1CCCCN1C 269982a_100000210034_200000210301 [0,1,0,0,0,1|2,0,0]=4 2541 B9R1.15 CCC1CCCCN1C 34a_100000210034_200000210301 [0,1,0,0,0,1|2,0,0]=4 2542 B9R1.15 CCC1CCCCN1[13CH3] 2230a_100000210034_200025704644 [0,1,0,0,0,1|2,0,0]=4 2543 B9R1.15 CCC1CCCCN1[13CH3] 269982a_100000210034_200025704644 [0,1,0,0,0,1|2,0,0]=4 2544 B9R1.15 CCC1CCCCN1[13CH3] 34a_100000210034_200025704644 [0,1,0,0,0,1|2,0,0]=4 2545 B9R1.15 CC[C@H]1COCCN1C 2230a_100016988097_200000210301 [0,1,0,0,0,1|2,0,0]=4 2546 B9R1.15 CC[C@H]1COCCN1C 269982a_100016988097_200000210301 [0,1,0,0,0,1|2,0,0]=4 2547 B9R1.15 CC[C@H]1COCCN1C 34a_100016988097_200000210301 [0,1,0,0,0,1|2,0,0]=4 2548 B9R1.15 CC[C@H]1COCCN1[13CH3] 2230a_100016988097_200025704644 [0,1,0,0,0,1|2,0,0]=4 2549 B9R1.15 CC[C@H]1COCCN1[13CH3] 269982a_100016988097_200025704644 [0,1,0,0,0,1|2,0,0]=4 2550 B9R1.15 CC[C@H]1COCCN1[13CH3] 34a_100016988097_200025704644 [0,1,0,0,0,1|2,0,0]=4 2551 B9R1.15 CN1CCCCC1CO 2230a_100000210821_200000210301 [0,1,0,0,0,1|1,0,0]=3 2552 B9R1.15 CN1CCCCC1CO 269982a_100000210821_200000210301 [0,1,0,0,0,1|1,0,0]=3 2553 B9R1.15 CN1CCCCC1CO 34a_100000210821_200000210301 [0,1,0,0,0,1|1,0,0]=3 2554 B9R1.15 CN1CCOC[C@H]1CO 2230a_100000717676_200000210301 [0,1,0,0,0,1|1,0,0]=3 2555 B9R1.15 CN1CCOC[C@H]1CO 269982a_100000717676_200000210301 [0,1,0,0,0,1|1,0,0]=3 2556 B9R1.15 CN1CCOC[C@H]1CO 34a_100000717676_200000210301 [0,1,0,0,0,1|1,0,0]=3 2557 B9R1.15 CN[C@H]1COCC[C@@H]1O 2230a_100015739063_200000210301 [0,1,0,0,0,1|2,0,0]=4 2558 B9R1.15 CO[C@H]1COCC[C@H]1N 34a_100016994285_200000210301 [0,1,0,0,0,1|2,0,0]=4 2559 B9R1.15 [13CH3]N1CCCCC1CO 2230a_100000210821_200025704644 [0,1,0,0,0,1|1,0,0]=3 2560 B9R1.15 [13CH3]N1CCCCC1CO 269982a_100000210821_200025704644 [0,1,0,0,0,1|1,0,0]=3 2561 B9R1.15 [13CH3]N1CCCCC1CO 34a_100000210821_200025704644 [0,1,0,0,0,1|1,0,0]=3 2562 B9R1.15 [13CH3]N1CCOC[C@H]1CO 2230a_100000717676_200025704644 [0,1,0,0,0,1|1,0,0]=3 2563 B9R1.15 [13CH3]N1CCOC[C@H]1CO 269982a_100000717676_200025704644 [0,1,0,0,0,1|1,0,0]=3 2564 B9R1.15 [13CH3]N1CCOC[C@H]1CO 34a_100000717676_200025704644 [0,1,0,0,0,1|1,0,0]=3 2565 B9R1.15 [13CH3]N[C@H]1COCC[C@@H]1O 2230a_100015739063_200025704644 [0,1,0,0,0,1|2,0,0]=4 2566 B9R1.15 [13CH3]O[C@H]1COCC[C@H]1N 34a_100016994285_200025704644 [0,1,0,0,0,1|2,0,0]=4 2567 B9R1.7 CC1CCC(C1)OCF 34a_100000698185_100015361967 [0,2,0,0,0,0|2,0,0]=4 2568 B9R1.7 CCNC1CCC(C1)C 270004a_100015525214_100011215218 [0,2,0,0,0,0|2,0,0]=4 2569 B9R1.7 CCNC1CCC(C1)O 270004a_100015525214_100012614533 [0,2,0,0,0,0|2,0,0]=4 2570 B9R1.7 CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210202 [0,2,0,0,0,0|2,0,0]=4 2571 B9R1.7 CCOC1CCC(C1)C 34a_100000698185_100000210202 [0,2,0,0,0,0|2,0,0]=4 2572 B9R1.7 CN1CCC(C1)CCO 2230a_100016987287_200000210301 [0,2,0,0,0,0|2,0,0]=4 2573 B9R1.7 CN1CCC(C1)CCO 269982a_100016987287_200000210301 [0,2,0,0,0,0|2,0,0]=4 2574 B9R1.7 CN1CCC(C1)CCO 34a_100016987287_200000210301 [0,2,0,0,0,0|2,0,0]=4 2575 B9R1.7 COCC1CCC(=O)N1 34a_100000737831_200000210301 [0,2,0,0,0,0|1,0,1]=4 2576 B9R1.7 COCC1CCN(C1)C 2230a_100025706693_200000210301 [0,2,0,0,0,0|2,0,0]=4 2577 B9R1.7 COCC1CCN(C1)C 269982a_100025706693_200000210301 [0,2,0,0,0,0|2,0,0]=4 2578 B9R1.7 COCC1CCN(C1)C 34a_100025706693_200000210301 [0,2,0,0,0,0|2,0,0]=4 2579 B9R1.7 COCC1CCN(C1)C 34a_100138415774_200000690779 [0,2,0,0,0,0|2,0,0]=4 2580 B9R1.7 COCC1CCN(C1)[13CH3] 2230a_100025706693_200025704644 [0,2,0,0,0,0|2,0,0]=4 2581 B9R1.7 COCC1CCN(C1)[13CH3] 269982a_100025706693_200025704644 [0,2,0,0,0,0|2,0,0]=4 2582 B9R1.7 COCC1CCN(C1)[13CH3] 34a_100025706693_200025704644 [0,2,0,0,0,0|2,0,0]=4 2583 B9R1.7 COCC1CNC(=O)O1 34a_100011315639_200000210301 [0,2,0,0,0,0|1,0,1]=4 2584 B9R1.7 COCC1CNC(=O)O1 34a_100138415774_100000181169 [0,2,0,0,0,0|1,0,1]=4 2585 B9R1.7 COCC1COC(=O)O1 34a_100138415774_100000073702 [0,2,0,0,0,0|1,0,1]=4 2586 B9R1.7 COCN1CCC(C1)O 2230a_100011215560_100000766300 [0,2,0,0,0,0|2,0,0]=4 2587 B9R1.7 COCN1CCC(C1)O 269982a_100011215560_100000766300 [0,2,0,0,0,0|2,0,0]=4 2588 B9R1.7 COCN1CC[C@@H](C1)F 2230a_100015203821_100000766300 [0,2,0,0,0,0|2,0,0]=4 2589 B9R1.7 COCN1CC[C@@H](C1)F 269982a_100015203821_100000766300 [0,2,0,0,0,0|2,0,0]=4 2590 B9R1.7 COCN1CC[C@H](C1)C 2230a_100016987628_100000766300 [0,2,0,0,0,0|2,0,0]=4 2591 B9R1.7 COCN1CC[C@H](C1)C 269982a_100016987628_100000766300 [0,2,0,0,0,0|2,0,0]=4 2592 B9R1.7 COC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_200000210301 [0,2,0,0,0,0|1,0,1]=4 2593 B9R1.7 COC[C@@H]1C[C@@H](CN1)F 34a_100015204000_200000210301 [0,2,0,0,0,0|1,0,0]=3 2594 B9R1.7 C[C@@H]1CCN(C1)CCO 2230a_100016987628_100000211926 [0,2,0,0,0,0|2,0,0]=4 2595 B9R1.7 C[C@@H]1CCN(C1)CCO 269982a_100016987628_100000211926 [0,2,0,0,0,0|2,0,0]=4 2596 B9R1.7 C[C@@H]1CCN(C1)CCO 34a_100016987628_100000211926 [0,2,0,0,0,0|2,0,0]=4 2597 B9R1.7 OCCN1CCC(C1)O 2230a_100011215560_100000211926 [0,2,0,0,0,0|2,0,0]=4 2598 B9R1.7 OCCN1CCC(C1)O 269982a_100011215560_100000211926 [0,2,0,0,0,0|2,0,0]=4 2599 B9R1.7 OCCN1CC[C@@H](C1)F 2230a_100015203821_100000211926 [0,2,0,0,0,0|2,0,0]=4 2600 B9R1.7 OCCN1CC[C@@H](C1)F 269982a_100015203821_100000211926 [0,2,0,0,0,0|2,0,0]=4 2601 B9R1.7 OCCN1CC[C@@H](C1)F 34a_100015203821_100000211926 [0,2,0,0,0,0|2,0,0]=4 2602 B9R1.7 [13CH3]N1CCC(C1)CCO 2230a_100016987287_200025704644 [0,2,0,0,0,0|2,0,0]=4 2603 B9R1.7 [13CH3]N1CCC(C1)CCO 269982a_100016987287_200025704644 [0,2,0,0,0,0|2,0,0]=4 2604 B9R1.7 [13CH3]N1CCC(C1)CCO 34a_100016987287_200025704644 [0,2,0,0,0,0|2,0,0]=4 2605 B9R1.7 [13CH3]OCC1CCC(=O)N1 34a_100000737831_200025704644 [0,2,0,0,0,0|1,0,1]=4 2606 B9R1.7 [13CH3]OCC1CNC(=O)O1 34a_100011315639_200025704644 [0,2,0,0,0,0|1,0,1]=4 2607 B9R1.7 [13CH3]OC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_200025704644 [0,2,0,0,0,0|1,0,1]=4 2608 B9R1.7 [13CH3]OC[C@@H]1C[C@@H](CN1)F 34a_100015204000_200025704644 [0,2,0,0,0,0|1,0,0]=3 2609 B9R1.21 CCC1CCC(C1)NC 270004a_106832991635_100011218773 [0,2,0,0,0,0|2,0,0]=4 2610 B9R1.21 CCN1CCC(C1)CO 2230a_100000748654_100000210202 [0,2,0,0,0,0|2,0,0]=4 2611 B9R1.21 CCN1CCC(C1)CO 269982a_100000748654_100000204670 [0,2,0,0,0,0|2,0,0]=4 2612 B9R1.21 CCN1CCC(C1)CO 34a_100000748654_100000210202 [0,2,0,0,0,0|2,0,0]=4 2613 B9R1.21 CN[C@H]1C=C[C@H](C1)CO 2230a_100020646542_200000210301 [0,2,0,0,0,0|1,0,1]=4 2614 B9R1.21 CN[C@H]1C=C[C@H](C1)CO 34a_100020646542_200000210301 [0,2,0,0,0,0|1,0,1]=4 2615 B9R1.21 OCC1CCN(C1)CF 269982a_100000748654_100015361967 [0,2,0,0,0,0|2,0,0]=4 2616 B9R1.21 OCC1CCN(C1)CF 34a_100000748654_100015361967 [0,2,0,0,0,0|2,0,0]=4 2617 B9R1.21 [13CH3]N[C@H]1C=C[C@H](C1)CO 2230a_100020646542_200025704644 [0,2,0,0,0,0|1,0,1]=4 2618 B9R1.21 [13CH3]N[C@H]1C=C[C@H](C1)CO 34a_100020646542_200025704644 [0,2,0,0,0,0|1,0,1]=4 2619 B9R1.22 CN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_200000210301 [0,2,0,0,0,0|1,0,0]=3 2620 B9R1.22 CN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_200000210301 [0,2,0,0,0,0|1,0,0]=3 2621 B9R1.22 CN1C[C@H](C[C@H]1CO)F 2230a_100015204000_200000210301 [0,2,0,0,0,0|1,0,0]=3 2622 B9R1.22 CN1C[C@H](C[C@H]1CO)F 269982a_100015204000_200000210301 [0,2,0,0,0,0|1,0,0]=3 2623 B9R1.22 CN1C[C@H](C[C@H]1CO)F 34a_100015204000_200000210301 [0,2,0,0,0,0|1,0,0]=3 2624 B9R1.22 [13CH3]N1C[C@@H](C[C@H]1CO)O 2230a_100000707816_200025704644 [0,2,0,0,0,0|1,0,0]=3 2625 B9R1.22 [13CH3]N1C[C@@H](C[C@H]1CO)O 269982a_100000707816_200025704644 [0,2,0,0,0,0|1,0,0]=3 2626 B9R1.22 [13CH3]N1C[C@H](C[C@H]1CO)F 2230a_100015204000_200025704644 [0,2,0,0,0,0|1,0,0]=3 2627 B9R1.22 [13CH3]N1C[C@H](C[C@H]1CO)F 269982a_100015204000_200025704644 [0,2,0,0,0,0|1,0,0]=3 2628 B9R1.22 [13CH3]N1C[C@H](C[C@H]1CO)F 34a_100015204000_200025704644 [0,2,0,0,0,0|1,0,0]=3 2629 B9R1.11 CC(CO)N1CCCC1 2230a_100000188435_100012180447 [0,2,0,0,0,0|2,0,0]=4 2630 B9R1.11 CC(N[13CH3])C1CCCC1 2230a_100015185923_200025704644 [0,2,0,0,0,0|2,0,0]=4 2631 B9R1.11 CC(N[13CH3])C1CCCC1 34a_100015185923_200025704644 [0,2,0,0,0,0|2,0,0]=4 2632 B9R1.11 CC(N[13CH3])C1CCCO1 2230a_100025754208_200025704644 [0,2,0,0,0,0|1,0,0]=3 2633 B9R1.11 CC(N[13CH3])C1CCCO1 34a_100025754208_200025704644 [0,2,0,0,0,0|1,0,0]=3 2634 B9R1.11 CC(O[13CH3])C1CCCC1 34a_100011216366_200025704644 [0,2,0,0,0,0|1,0,0]=3 2635 B9R1.11 CC(O[13CH3])C1CCCC1 7a_100011216366_200025704644 [0,2,0,0,0,0|1,0,0]=3 2636 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [0,2,0,0,0,0|2,0,0]=4 2637 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [0,2,0,0,0,0|2,0,0]=4 2638 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [0,2,0,0,0,0|1,1,0]=4 2639 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [0,2,0,0,0,0|1,0,0]=3 2640 B9R1.11 CCN(C)C1CCCC1 2230a_100000207505_100000210202 [0,2,0,0,0,0|2,0,0]=4 2641 B9R1.11 CCN(C)C1CCCC1 2230a_100000225621_100000179811 [0,2,0,0,0,0|2,0,0]=4 2642 B9R1.11 CCN(C)C1CCCC1 269982a_100000207505_100000204670 [0,2,0,0,0,0|2,0,0]=4 2643 B9R1.11 CCN(C)C1CCCC1 269982a_100000225621_100000179811 [0,2,0,0,0,0|2,0,0]=4 2644 B9R1.11 CCN(C)C1CCCC1 34a_100000207505_100000210202 [0,2,0,0,0,0|2,0,0]=4 2645 B9R1.11 CN(CF)C1CCCC1 269982a_100000207505_100015361967 [0,2,0,0,0,0|2,0,0]=4 2646 B9R1.11 CN(CF)C1CCCC1 34a_100000207505_100015361967 [0,2,0,0,0,0|2,0,0]=4 2647 B9R1.11 CNC(=O)[C@@H]1CCCO1 11a_106832991635_100000686382 [0,2,0,0,0,0|0,0,2]=4 2648 B9R1.11 CNC(=O)[C@@H]1CCCO1 1626a_100102657272_100000686382 [0,2,0,0,0,0|0,0,2]=4 2649 B9R1.11 CNC(=O)[C@@H]1CCCO1 240690a_100102657272_100000686382 [0,2,0,0,0,0|0,0,2]=4 2650 B9R1.11 CNC(=O)[C@@H]1CCCO1 527a_100102657272_100000686382 [0,2,0,0,0,0|0,0,2]=4 2651 B9R1.11 CNC(C)C1CCCC1 2230a_100015185923_200000210301 [0,2,0,0,0,0|2,0,0]=4 2652 B9R1.11 CNC(C)C1CCCC1 269862a_106832991636_100000749594 [0,2,0,0,0,0|2,0,0]=4 2653 B9R1.11 CNC(C)C1CCCC1 270004a_106832991635_100000749594 [0,2,0,0,0,0|2,0,0]=4 2654 B9R1.11 CNC(C)C1CCCC1 34a_100015185923_200000210301 [0,2,0,0,0,0|2,0,0]=4 2655 B9R1.11 CNC(C)C1CCCO1 2230a_100025754208_200000210301 [0,2,0,0,0,0|1,0,0]=3 2656 B9R1.11 CNC(C)C1CCCO1 34a_100025754208_200000210301 [0,2,0,0,0,0|1,0,0]=3 2657 B9R1.11 COC(C)C1CCCC1 34a_100011216366_200000210301 [0,2,0,0,0,0|1,0,0]=3 2658 B9R1.11 COC(C)C1CCCC1 7a_100011216366_200000210301 [0,2,0,0,0,0|1,0,0]=3 2659 B9R1.11 COC(C)N1CCCC1 269982a_100000188435_100009879195 [0,2,0,0,0,0|2,0,0]=4 2660 B9R1.11 C[C@H](CO)N1CCCC1 269982a_100000188435_100016084084 [0,2,0,0,0,0|2,0,0]=4 2661 B9R1.11 O=C(CF)C1CCCC1 1458a_100000210718_100015361967 [0,2,0,0,0,0|2,0,0]=4 2662 B9R1.11 O=C(CF)C1CCCS1 1458a_100012002731_100015361967 [0,2,0,0,0,0|1,1,0]=4 2663 B9R1.11 O=C(CF)[C@@H]1CCCO1 1458a_100000686382_100015361967 [0,2,0,0,0,0|1,0,0]=3 2664 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [0,2,0,0,0,0|1,0,0]=3 2665 B9R1.11 O=C(CO)C1CCOC1 1458a_100000210174_100000690089 [0,2,0,0,0,0|2,0,0]=4 2666 B9R1.11 O=C(CO)N1CCCC1 240690a_100000188435_100000210174 [0,2,0,0,0,0|2,0,0]=4 2667 B9R1.11 O=C(CO)N1CCCC1 527a_100000188435_100000210174 [0,2,0,0,0,0|2,0,0]=4 2668 B9R1.41 CC(C)C1CCCN1C 2230a_100000762757_200000210301 [0,2,0,0,0,0|2,0,0]=4 2669 B9R1.41 CC(C)C1CCCN1C 269982a_100000762757_200000210301 [0,2,0,0,0,0|2,0,0]=4 2670 B9R1.41 CC(C)C1CCCN1C 34a_100000762757_200000210301 [0,2,0,0,0,0|2,0,0]=4 2671 B9R1.41 CC(C)C1CCCN1[13CH3] 2230a_100000762757_200025704644 [0,2,0,0,0,0|2,0,0]=4 2672 B9R1.41 CC(C)C1CCCN1[13CH3] 269982a_100000762757_200025704644 [0,2,0,0,0,0|2,0,0]=4 2673 B9R1.41 CC(C)C1CCCN1[13CH3] 34a_100000762757_200025704644 [0,2,0,0,0,0|2,0,0]=4 2674 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [0,2,0,0,0,0|1,0,1]=4 2675 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [0,2,0,0,0,0|1,0,1]=4 2676 B9R1.163 CC(=O)C1(CCCO1)C 1458a_100000684770_200000210301 [0,2,0,0,0,0|0,0,2]=4 2677 B9R1.163 CC1(CCCO1)C(=O)[13CH3] 1458a_100000684770_200025704644 [0,2,0,0,0,0|0,0,2]=4 2678 B9R1.12 BrCCOC1CCCC1 34a_100000211926_100000179811 [0,2,0,0,0,0|2,0,0]=4 2679 B9R1.12 C#CCNC1CCCC1 2230a_100000211070_100000038162 [0,2,0,0,0,0|2,0,0]=4 2680 B9R1.12 C#CCNC1CCCC1 34a_100000211070_100000184674 [0,2,0,0,0,0|2,0,0]=4 2681 B9R1.12 C#CCNC1CCCC1 34a_100000212058_100000179811 [0,2,0,0,0,0|2,0,0]=4 2682 B9R1.12 C#CCOC1CCCC1 34a_100000210247_100000179811 [0,2,0,0,0,0|2,0,0]=4 2683 B9R1.12 C#CCOC1CCCC1 34a_100000210269_100000184674 [0,2,0,0,0,0|2,0,0]=4 2684 B9R1.12 C#CCOC1CCCC1 7a_100000210269_100000038162 [0,2,0,0,0,0|2,0,0]=4 2685 B9R1.12 C#CCOC1CCCO1 34a_100000085407_100000184674 [0,2,0,0,0,0|1,0,0]=3 2686 B9R1.12 C#CCSC1CCCC1 62a_100000038162_100000179811 [0,2,0,0,0,0|2,0,0]=4 2687 B9R1.12 C=CCNC1CCCC1 2230a_100000211070_100000210623 [0,2,0,0,0,0|2,0,0]=4 2688 B9R1.12 C=CCNC1CCCC1 2230a_100020586998_100000179811 [0,2,0,0,0,0|2,0,0]=4 2689 B9R1.12 C=CCNC1CCCC1 270004a_100020586998_100000210133 [0,2,0,0,0,0|2,0,0]=4 2690 B9R1.12 C=CCNC1CCCC1 34a_100000211070_100015514636 [0,2,0,0,0,0|2,0,0]=4 2691 B9R1.12 C=CCOC1CCCC1 34a_100000210269_100015514636 [0,2,0,0,0,0|2,0,0]=4 2692 B9R1.12 C=CCOC1CCCC1 34a_200000210373_100000179811 [0,2,0,0,0,0|2,0,0]=4 2693 B9R1.12 C=CCOC1CCCC1 7a_100000210269_100015514636 [0,2,0,0,0,0|2,0,0]=4 2694 B9R1.12 C=CCOC1CCCO1 34a_100000085407_100015514636 [0,2,0,0,0,0|1,0,0]=3 2695 B9R1.12 C=CCSC1CCCC1 62a_100000210623_100000179811 [0,2,0,0,0,0|2,0,0]=4 2696 B9R1.12 C=CCSC1CCCC1 62a_100011217020_100000210623 [0,2,0,0,0,0|2,0,0]=4 2697 B9R1.12 CCCNC1CCCC1 2230a_100000211070_100000210303 [0,2,0,0,0,0|2,0,0]=4 2698 B9R1.12 CCCNC1CCCC1 270004a_100020643023_100000210133 [0,2,0,0,0,0|2,0,0]=4 2699 B9R1.12 CCCNC1CCCC1 34a_100000211070_100000210303 [0,2,0,0,0,0|2,0,0]=4 2700 B9R1.12 CCCOC1CCCC1 34a_100000210258_100000179811 [0,2,0,0,0,0|2,0,0]=4 2701 B9R1.12 CCCOC1CCCC1 34a_100000210269_100000210303 [0,2,0,0,0,0|2,0,0]=4 2702 B9R1.12 CCCOC1CCCC1 7a_100000210269_100000210303 [0,2,0,0,0,0|2,0,0]=4 2703 B9R1.12 CCCOC1CCCO1 34a_100000085407_100000210303 [0,2,0,0,0,0|1,0,0]=3 2704 B9R1.12 CCCSC1CCCC1 62a_100000210303_100000179811 [0,2,0,0,0,0|2,0,0]=4 2705 B9R1.12 CCCSC1CCCC1 62a_100011217020_100000210303 [0,2,0,0,0,0|2,0,0]=4 2706 B9R1.12 CCNCC1CCCC1 2230a_100000737975_100000210202 [0,2,0,0,0,0|2,0,0]=4 2707 B9R1.12 CCNCC1CCCC1 2230a_100015525214_100000740388 [0,2,0,0,0,0|2,0,0]=4 2708 B9R1.12 CCNCC1CCCC1 269862a_100015525214_100000746403 [0,2,0,0,0,0|2,0,0]=4 2709 B9R1.12 CCNCC1CCCC1 34a_100000737975_100000210202 [0,2,0,0,0,0|2,0,0]=4 2710 B9R1.12 CCNCC1CCCO1 2230a_100015525214_100000203698 [0,2,0,0,0,0|1,0,0]=3 2711 B9R1.12 CCNCC1OCCO1 2230a_100000036311_100000210202 [0,2,0,0,0,0|2,0,0]=4 2712 B9R1.12 CCNCC1OCCO1 2230a_100015525214_100000755774 [0,2,0,0,0,0|2,0,0]=4 2713 B9R1.12 CCNCC1OCCO1 34a_100000036311_100000210202 [0,2,0,0,0,0|2,0,0]=4 2714 B9R1.12 CCNC[C@@H]1CCCO1 2230a_100020590478_100000210202 [0,2,0,0,0,0|1,0,0]=3 2715 B9R1.12 CCNC[C@@H]1CCCO1 34a_100020590478_100000210202 [0,2,0,0,0,0|1,0,0]=3 2716 B9R1.12 CCOCC1CCCC1 34a_100000742336_100000210202 [0,2,0,0,0,0|1,0,0]=3 2717 B9R1.12 CCOCC1CCCC1 34a_100121572206_100000740388 [0,2,0,0,0,0|1,0,0]=3 2718 B9R1.12 CCOCC1CCCC1 7a_100000742336_100000210202 [0,2,0,0,0,0|1,0,0]=3 2719 B9R1.12 CCOCC1CCCO1 34a_100000210270_100000210202 [0,2,0,0,0,0|0,0,0]=2 2720 B9R1.12 CCOCC1CCCO1 7a_100000210270_100000210202 [0,2,0,0,0,0|0,0,0]=2 2721 B9R1.12 CCOCC1CCNC1 34a_100000748654_100000210202 [0,2,0,0,0,0|2,0,0]=4 2722 B9R1.12 CCOCC1CCOC1 34a_100000740260_100000210202 [0,2,0,0,0,0|2,0,0]=4 2723 B9R1.12 CCOCC1CCOC1 34a_100121572206_100011261433 [0,2,0,0,0,0|2,0,0]=4 2724 B9R1.12 CCOCC1COCO1 34a_100011216627_100000210202 [0,2,0,0,0,0|1,0,0]=3 2725 B9R1.12 CCOCC1OCCO1 34a_100000087154_100000210202 [0,2,0,0,0,0|1,0,0]=3 2726 B9R1.12 CCOCC1OCCO1 34a_100121572206_100000755774 [0,2,0,0,0,0|1,0,0]=3 2727 B9R1.12 CCOCN1CCCC1 269982a_100000188435_100000739092 [0,2,0,0,0,0|2,0,0]=4 2728 B9R1.12 CCOC[C@H]1CCCN1 34a_100000745186_100000210202 [0,2,0,0,0,0|1,0,0]=3 2729 B9R1.12 CCSCC1CCCC1 62a_100000210202_100000740388 [0,2,0,0,0,0|1,1,0]=4 2730 B9R1.12 CCSCC1CCCC1 62a_100000740388_100000210202 [0,2,0,0,0,0|1,1,0]=4 2731 B9R1.12 CCSCC1CCCO1 62a_100000203698_100000210202 [0,2,0,0,0,0|0,1,0]=3 2732 B9R1.12 CCSCC1CCCO1 62a_100000210202_100000203698 [0,2,0,0,0,0|0,1,0]=3 2733 B9R1.12 CCSCC1OCCO1 62a_100000210202_100000755774 [0,2,0,0,0,0|1,1,0]=4 2734 B9R1.12 CCSCC1OCCO1 62a_100000755774_100000210202 [0,2,0,0,0,0|1,1,0]=4 2735 B9R1.12 CNCCC1CCCC1 2230a_100000739158_200000210301 [0,2,0,0,0,0|2,0,0]=4 2736 B9R1.12 CNCCC1CCCC1 2230a_106832991635_100000760354 [0,2,0,0,0,0|2,0,0]=4 2737 B9R1.12 CNCCC1CCCC1 34a_100000739158_200000210301 [0,2,0,0,0,0|2,0,0]=4 2738 B9R1.12 CNCCC1CCCC1 34a_100102657272_100000760354 [0,2,0,0,0,0|2,0,0]=4 2739 B9R1.12 CNCCC1CCCC1 7a_106832991635_100000760354 [0,2,0,0,0,0|2,0,0]=4 2740 B9R1.12 CNCCC1OCCO1 2230a_100000034215_200000210301 [0,2,0,0,0,0|2,0,0]=4 2741 B9R1.12 CNCCC1OCCO1 2230a_106832991635_100000740749 [0,2,0,0,0,0|2,0,0]=4 2742 B9R1.12 CNCCC1OCCO1 34a_100000034215_200000210301 [0,2,0,0,0,0|2,0,0]=4 2743 B9R1.12 CNCCC1OCCO1 34a_100102657272_100000740749 [0,2,0,0,0,0|2,0,0]=4 2744 B9R1.12 CNCCC1OCCO1 7a_106832991635_100000740749 [0,2,0,0,0,0|2,0,0]=4 2745 B9R1.12 COCCC1CCCC1 34a_100000749090_200000210301 [0,2,0,0,0,0|1,0,0]=3 2746 B9R1.12 COCCC1CCCC1 34a_100138415774_100000760354 [0,2,0,0,0,0|1,0,0]=3 2747 B9R1.12 COCCC1CCCC1 7a_100000749090_200000210301 [0,2,0,0,0,0|1,0,0]=3 2748 B9R1.12 COCCC1CCNC1 34a_100016987287_200000210301 [0,2,0,0,0,0|2,0,0]=4 2749 B9R1.12 COCCC1CCOC1 34a_100011879284_200000210301 [0,2,0,0,0,0|2,0,0]=4 2750 B9R1.12 COCCC1OCCO1 34a_100138415774_100000740749 [0,2,0,0,0,0|1,0,0]=3 2751 B9R1.12 COCCN1CCCC1 2230a_100000188435_100011201679 [0,2,0,0,0,0|2,0,0]=4 2752 B9R1.12 COCCN1CCCC1 269982a_100000188435_100000233755 [0,2,0,0,0,0|2,0,0]=4 2753 B9R1.12 COCNC1CCCC1 2230a_100000211070_100000766300 [0,2,0,0,0,0|1,0,0]=3 2754 B9R1.12 COCN[C@@H]1CCOC1 2230a_200015188469_100000766300 [0,2,0,0,0,0|2,0,0]=4 2755 B9R1.12 COCN[C@H]1CCOC1 2230a_100015188467_100000766300 [0,2,0,0,0,0|2,0,0]=4 2756 B9R1.12 COCSC1CCCC1 62a_100000766300_100000179811 [0,2,0,0,0,0|1,0,0]=3 2757 B9R1.12 COCSC1CCCC1 62a_100011217020_100000766300 [0,2,0,0,0,0|1,0,0]=3 2758 B9R1.12 COCSC1CCOC1 62a_100000766300_100000690089 [0,2,0,0,0,0|2,0,0]=4 2759 B9R1.12 CSCCC1CCCC1 62a_100000760354_200000210301 [0,2,0,0,0,0|1,1,0]=4 2760 B9R1.12 CSCCC1CCCC1 62a_200000210301_100000760354 [0,2,0,0,0,0|1,1,0]=4 2761 B9R1.12 CSCCC1OCCO1 62a_200000210301_100000740749 [0,2,0,0,0,0|1,1,0]=4 2762 B9R1.12 CSCNC1CCCC1 2230a_100000211070_100011218213 [0,2,0,0,0,0|1,1,0]=4 2763 B9R1.12 CSCNC1CCCC1 34a_100000211070_100011218213 [0,2,0,0,0,0|1,1,0]=4 2764 B9R1.12 CSCOC1CCCC1 34a_100000210269_100011218213 [0,2,0,0,0,0|1,1,0]=4 2765 B9R1.12 CSCOC1CCCO1 34a_100000085407_100011218213 [0,2,0,0,0,0|0,1,0]=3 2766 B9R1.12 CSCSC1CCCC1 62a_100011217020_100011218213 [0,2,0,0,0,0|1,1,0]=4 2767 B9R1.12 CSCSC1CCCC1 62a_100011218213_100000179811 [0,2,0,0,0,0|1,1,0]=4 2768 B9R1.12 FCCNC1CCCC1 2230a_100000211070_100011217306 [0,2,0,0,0,0|2,0,0]=4 2769 B9R1.12 FCCNC1CCCC1 34a_100000211070_100011217306 [0,2,0,0,0,0|2,0,0]=4 2770 B9R1.12 FCCNC1CCCC1 34a_100000724931_100000179811 [0,2,0,0,0,0|2,0,0]=4 2771 B9R1.12 FCCOC1CCCC1 34a_100000210269_100011217306 [0,2,0,0,0,0|2,0,0]=4 2772 B9R1.12 FCCOC1CCCC1 7a_100000210269_100011217306 [0,2,0,0,0,0|2,0,0]=4 2773 B9R1.12 FCCOC1CCCO1 34a_100000085407_100011217306 [0,2,0,0,0,0|1,0,0]=3 2774 B9R1.12 FCCSC1CCCC1 62a_100011217020_100011217306 [0,2,0,0,0,0|2,0,0]=4 2775 B9R1.12 FCCSC1CCCC1 62a_100011217306_100000179811 [0,2,0,0,0,0|2,0,0]=4 2776 B9R1.12 FCNCC1CCCC1 34a_100000737975_100015361967 [0,2,0,0,0,0|2,0,0]=4 2777 B9R1.12 FCNCC1OCCO1 34a_100000036311_100015361967 [0,2,0,0,0,0|2,0,0]=4 2778 B9R1.12 FCNC[C@@H]1CCCO1 34a_100020590478_100015361967 [0,2,0,0,0,0|1,0,0]=3 2779 B9R1.12 FCOCC1CCCC1 34a_100000742336_100015361967 [0,2,0,0,0,0|1,0,0]=3 2780 B9R1.12 FCOCC1CCCC1 7a_100000742336_100015361967 [0,2,0,0,0,0|1,0,0]=3 2781 B9R1.12 FCOCC1CCCO1 34a_100000210270_100015361967 [0,2,0,0,0,0|0,0,0]=2 2782 B9R1.12 FCOCC1CCCO1 7a_100000210270_100015361967 [0,2,0,0,0,0|0,0,0]=2 2783 B9R1.12 FCOCC1CCNC1 34a_100000748654_100015361967 [0,2,0,0,0,0|2,0,0]=4 2784 B9R1.12 FCOCC1CCOC1 34a_100000740260_100015361967 [0,2,0,0,0,0|2,0,0]=4 2785 B9R1.12 FCOCC1COCO1 34a_100011216627_100015361967 [0,2,0,0,0,0|1,0,0]=3 2786 B9R1.12 FCOCC1OCCO1 34a_100000087154_100015361967 [0,2,0,0,0,0|1,0,0]=3 2787 B9R1.12 FCOC[C@H]1CCCN1 34a_100000745186_100015361967 [0,2,0,0,0,0|1,0,0]=3 2788 B9R1.12 FCSCC1CCCC1 62a_100000740388_100015361967 [0,2,0,0,0,0|1,1,0]=4 2789 B9R1.12 FCSCC1CCCC1 62a_100015361967_100000740388 [0,2,0,0,0,0|1,1,0]=4 2790 B9R1.12 FCSCC1CCCO1 62a_100000203698_100015361967 [0,2,0,0,0,0|0,1,0]=3 2791 B9R1.12 FCSCC1CCCO1 62a_100015361967_100000203698 [0,2,0,0,0,0|0,1,0]=3 2792 B9R1.12 FCSCC1OCCO1 62a_100000755774_100015361967 [0,2,0,0,0,0|1,1,0]=4 2793 B9R1.12 FCSCC1OCCO1 62a_100015361967_100000755774 [0,2,0,0,0,0|1,1,0]=4 2794 B9R1.12 N#CCNC1CCCC1 2230a_100000211070_100011215382 [0,2,0,0,0,0|2,0,0]=4 2795 B9R1.12 N#CCOC1CCCC1 7a_100000210269_100011215382 [0,2,0,0,0,0|2,0,0]=4 2796 B9R1.12 N#CCSC1CCCC1 62a_100011215382_100000179811 [0,2,0,0,0,0|2,0,0]=4 2797 B9R1.12 N#CCSC1CCCC1 62a_100011217020_100011215382 [0,2,0,0,0,0|2,0,0]=4 2798 B9R1.12 NCCOC1CCCC1 34a_100000210304_100000179811 [0,2,0,0,0,0|2,0,0]=4 2799 B9R1.12 O=CCNC1CCCC1 2230a_100000211070_200015260668 [0,2,0,0,0,0|1,0,1]=4 2800 B9R1.12 O=CCNC1CCCC1 34a_100000211070_200009817547 [0,2,0,0,0,0|1,0,1]=4 2801 B9R1.12 O=CCOC1CCCC1 34a_100000210269_200009817547 [0,2,0,0,0,0|1,0,1]=4 2802 B9R1.12 O=CCOC1CCCC1 7a_100000210269_200015260668 [0,2,0,0,0,0|1,0,1]=4 2803 B9R1.12 O=CCOC1CCCO1 34a_100000085407_200009817547 [0,2,0,0,0,0|0,0,1]=3 2804 B9R1.12 O=CCSC1CCCC1 62a_100011217020_200015260668 [0,2,0,0,0,0|1,0,1]=4 2805 B9R1.12 O=CCSC1CCCC1 62a_200015260668_100000179811 [0,2,0,0,0,0|1,0,1]=4 2806 B9R1.12 OCCCN1CCCC1 2230a_100000188435_100000230001 [0,2,0,0,0,0|2,0,0]=4 2807 B9R1.12 OCCCN1CCCC1 269982a_100000188435_100011215043 [0,2,0,0,0,0|2,0,0]=4 2808 B9R1.12 OCCNC1CCCC1 2230a_100000211070_100000211926 [0,2,0,0,0,0|1,0,0]=3 2809 B9R1.12 OCCNC1CCCC1 2230a_100016997473_100000179811 [0,2,0,0,0,0|1,0,0]=3 2810 B9R1.12 OCCNC1CCCC1 270004a_100000210304_100000210133 [0,2,0,0,0,0|1,0,0]=3 2811 B9R1.12 OCCNC1CCCC1 34a_100000211070_100000211926 [0,2,0,0,0,0|1,0,0]=3 2812 B9R1.12 OCCNC1CCCC1 34a_100016990907_100000179811 [0,2,0,0,0,0|1,0,0]=3 2813 B9R1.12 OCCNC1CCOC1 2230a_100016997473_100000731011 [0,2,0,0,0,0|2,0,0]=4 2814 B9R1.12 OCCNC1CCOC1 270004a_100000210304_100000752484 [0,2,0,0,0,0|2,0,0]=4 2815 B9R1.12 OCCNC1CCOC1 34a_100016990907_100000690089 [0,2,0,0,0,0|2,0,0]=4 2816 B9R1.12 OCCNC1CCSC1 270004a_100000210304_100000212027 [0,2,0,0,0,0|2,0,0]=4 2817 B9R1.12 OCCN[C@@H]1CCOC1 2230a_200015188469_100000211926 [0,2,0,0,0,0|2,0,0]=4 2818 B9R1.12 OCCN[C@H]1CCOC1 2230a_100015188467_100000211926 [0,2,0,0,0,0|2,0,0]=4 2819 B9R1.12 OCCN[C@H]1CCOC1 34a_100015188467_100000211926 [0,2,0,0,0,0|2,0,0]=4 2820 B9R1.12 OCCOC1CCCC1 34a_100000210269_100000211926 [0,2,0,0,0,0|1,0,0]=3 2821 B9R1.12 OCCOC1CCCC1 7a_100000210269_100000211926 [0,2,0,0,0,0|1,0,0]=3 2822 B9R1.12 OCCOC1CCCO1 34a_100000085407_100000211926 [0,2,0,0,0,0|0,0,0]=2 2823 B9R1.12 OCCOC1CCSC1 7a_100011232664_100000211926 [0,2,0,0,0,0|2,0,0]=4 2824 B9R1.12 OCCO[C@H]1CCOC1 34a_100000717292_100000211926 [0,2,0,0,0,0|2,0,0]=4 2825 B9R1.12 OCCSC1CCCC1 62a_100000211926_100000179811 [0,2,0,0,0,0|1,0,0]=3 2826 B9R1.12 OCCSC1CCCC1 62a_100011217020_100000211926 [0,2,0,0,0,0|1,0,0]=3 2827 B9R1.12 OCCSC1CCOC1 62a_100000211926_100000690089 [0,2,0,0,0,0|2,0,0]=4 2828 B9R1.12 [13CH3]NCCC1CCCC1 2230a_100000739158_200025704644 [0,2,0,0,0,0|2,0,0]=4 2829 B9R1.12 [13CH3]NCCC1CCCC1 34a_100000739158_200025704644 [0,2,0,0,0,0|2,0,0]=4 2830 B9R1.12 [13CH3]NCCC1OCCO1 2230a_100000034215_200025704644 [0,2,0,0,0,0|2,0,0]=4 2831 B9R1.12 [13CH3]NCCC1OCCO1 34a_100000034215_200025704644 [0,2,0,0,0,0|2,0,0]=4 2832 B9R1.12 [13CH3]OCCC1CCCC1 34a_100000749090_200025704644 [0,2,0,0,0,0|1,0,0]=3 2833 B9R1.12 [13CH3]OCCC1CCCC1 7a_100000749090_200025704644 [0,2,0,0,0,0|1,0,0]=3 2834 B9R1.12 [13CH3]OCCC1CCNC1 34a_100016987287_200025704644 [0,2,0,0,0,0|2,0,0]=4 2835 B9R1.12 [13CH3]OCCC1CCOC1 34a_100011879284_200025704644 [0,2,0,0,0,0|2,0,0]=4 2836 B9R1.12 [13CH3]SCCC1CCCC1 62a_100000760354_200025704644 [0,2,0,0,0,0|1,1,0]=4 2837 B9R1.12 [13CH3]SCCC1CCCC1 62a_200025704644_100000760354 [0,2,0,0,0,0|1,1,0]=4 2838 B9R1.12 [13CH3]SCCC1OCCO1 62a_200025704644_100000740749 [0,2,0,0,0,0|1,1,0]=4 2839 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [0,2,0,0,0,0|1,0,1]=4 2840 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [0,2,0,0,0,0|1,0,1]=4 2841 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [0,2,0,0,0,0|0,0,1]=3 2842 B9R1.13 CC(=O)CC1OCCO1 1458a_100000070787_100000755774 [0,2,0,0,0,0|1,0,1]=4 2843 B9R1.13 CC(C)NC1CCCC1 2230a_100000211070_100000210206 [0,2,0,0,0,0|2,0,0]=4 2844 B9R1.13 CC(C)NC1CCCC1 2230a_100138425928_100000179811 [0,2,0,0,0,0|2,0,0]=4 2845 B9R1.13 CC(C)NC1CCCC1 34a_100000211070_100000210206 [0,2,0,0,0,0|2,0,0]=4 2846 B9R1.13 CC(C)NC1CCCC1 34a_100138425928_100000179811 [0,2,0,0,0,0|2,0,0]=4 2847 B9R1.13 CC(C)OC1CCCC1 34a_100000210269_100000210206 [0,2,0,0,0,0|2,0,0]=4 2848 B9R1.13 CC(C)OC1CCCC1 34a_100000212225_100000179811 [0,2,0,0,0,0|2,0,0]=4 2849 B9R1.13 CC(C)OC1CCCC1 7a_100000210269_100000210206 [0,2,0,0,0,0|2,0,0]=4 2850 B9R1.13 CC(C)OC1CCCO1 34a_100000085407_100000210206 [0,2,0,0,0,0|1,0,0]=3 2851 B9R1.13 CC(C)SC1CCCC1 62a_100000210206_100000179811 [0,2,0,0,0,0|2,0,0]=4 2852 B9R1.13 CC(C)SC1CCCC1 62a_100011217020_100000210206 [0,2,0,0,0,0|2,0,0]=4 2853 B9R1.13 CC(O)CN1CCCC1 2230a_100000188435_100011218427 [0,2,0,0,0,0|2,0,0]=4 2854 B9R1.13 CC(O)CN1CCCC1 269982a_100000188435_100011218427 [0,2,0,0,0,0|2,0,0]=4 2855 B9R1.13 CN(C)CC1CCCC1 2230a_100102631434_100000740388 [0,2,0,0,0,0|2,0,0]=4 2856 B9R1.13 CN(C)CC1CCCC1 269982a_100102631434_100000740388 [0,2,0,0,0,0|2,0,0]=4 2857 B9R1.13 CN(C)CC1CCCO1 2230a_100102631434_100000203698 [0,2,0,0,0,0|1,0,0]=3 2858 B9R1.13 CN(C)CC1CCCO1 2230a_100102946541_200000210301 [0,2,0,0,0,0|1,0,0]=3 2859 B9R1.13 CN(C)CC1CCCO1 269982a_100102631434_100000183445 [0,2,0,0,0,0|1,0,0]=3 2860 B9R1.13 CN(C)CC1CCCO1 269982a_100102946541_200000210301 [0,2,0,0,0,0|1,0,0]=3 2861 B9R1.13 CN(C)CC1CCCO1 34a_100102946541_200000210301 [0,2,0,0,0,0|1,0,0]=3 2862 B9R1.13 CN(C)CC1OCCO1 2230a_100102631434_100000755774 [0,2,0,0,0,0|2,0,0]=4 2863 B9R1.13 CN(C)CC1OCCO1 2230a_200000032744_200000210301 [0,2,0,0,0,0|2,0,0]=4 2864 B9R1.13 CN(C)CC1OCCO1 269982a_100102631434_100000755774 [0,2,0,0,0,0|2,0,0]=4 2865 B9R1.13 CN(C)CC1OCCO1 269982a_200000032744_200000210301 [0,2,0,0,0,0|2,0,0]=4 2866 B9R1.13 CN(C)CC1OCCO1 34a_200000032744_200000210301 [0,2,0,0,0,0|2,0,0]=4 2867 B9R1.13 CN([13CH3])CC1CCCO1 2230a_100102946541_200025704644 [0,2,0,0,0,0|1,0,0]=3 2868 B9R1.13 CN([13CH3])CC1CCCO1 269982a_100102946541_200025704644 [0,2,0,0,0,0|1,0,0]=3 2869 B9R1.13 CN([13CH3])CC1CCCO1 34a_100102946541_200025704644 [0,2,0,0,0,0|1,0,0]=3 2870 B9R1.13 CN([13CH3])CC1OCCO1 2230a_200000032744_200025704644 [0,2,0,0,0,0|2,0,0]=4 2871 B9R1.13 CN([13CH3])CC1OCCO1 269982a_200000032744_200025704644 [0,2,0,0,0,0|2,0,0]=4 2872 B9R1.13 CN([13CH3])CC1OCCO1 34a_200000032744_200025704644 [0,2,0,0,0,0|2,0,0]=4 2873 B9R1.13 C[C@@H](O)CN1CCCC1 2230a_100000188435_100009817552 [0,2,0,0,0,0|2,0,0]=4 2874 B9R1.13 C[C@@H](O)CN1CCCC1 269982a_100000188435_100009817552 [0,2,0,0,0,0|2,0,0]=4 2875 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [0,2,0,0,0,0|1,0,1]=4 2876 B9R1.33 CC1CCCC1OCF 34a_100011216460_100015361967 [0,2,0,0,0,0|2,0,0]=4 2877 B9R1.33 CC1CCCC1OCF 7a_100011216460_100015361967 [0,2,0,0,0,0|2,0,0]=4 2878 B9R1.33 CCNC1CCCC1=O 2230a_100015525214_100000211823 [0,2,0,0,0,0|2,0,0]=4 2879 B9R1.33 CCNC1CCCC1C 269862a_100015525214_100000752053 [0,2,0,0,0,0|2,0,0]=4 2880 B9R1.33 CCOC1CCCC1=O 34a_100121572206_100000709159 [0,2,0,0,0,0|2,0,0]=4 2881 B9R1.33 CCOC1CCCC1=O 34a_200000719330_100000210202 [0,2,0,0,0,0|2,0,0]=4 2882 B9R1.33 CCOC1CCCC1C 34a_100011216460_100000210202 [0,2,0,0,0,0|2,0,0]=4 2883 B9R1.33 CCOC1CCCC1C 7a_100011216460_100000210202 [0,2,0,0,0,0|2,0,0]=4 2884 B9R1.33 CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210202 [0,2,0,0,0,0|2,0,0]=4 2885 B9R1.33 CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210202 [0,2,0,0,0,0|2,0,0]=4 2886 B9R1.33 CCSC1CCCC1=O 62a_100000210202_100000211823 [0,2,0,0,0,0|2,0,0]=4 2887 B9R1.33 CCSC1CCCC1=O 62a_100000211823_100000210202 [0,2,0,0,0,0|2,0,0]=4 2888 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_100000210202_200016002552 [0,2,0,0,0,0|2,0,0]=4 2889 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210202 [0,2,0,0,0,0|2,0,0]=4 2890 B9R1.33 CN1CCCC1CO[13CH3] 34a_100000743107_200025704644 [0,2,0,0,0,0|1,0,0]=3 2891 B9R1.33 COCC1CCCN1C 34a_100000743107_200000210301 [0,2,0,0,0,0|1,0,0]=3 2892 B9R1.33 COCC1CCNC1=O 34a_100000133458_200000210301 [0,2,0,0,0,0|2,0,0]=4 2893 B9R1.33 COCN1CCC[C@@H]1C 2230a_100020605311_100000766300 [0,2,0,0,0,0|2,0,0]=4 2894 B9R1.33 COCN1CCC[C@@H]1C 269982a_100020605311_100000766300 [0,2,0,0,0,0|2,0,0]=4 2895 B9R1.33 COCN1CCC[C@H]1C 2230a_100015189458_100000766300 [0,2,0,0,0,0|2,0,0]=4 2896 B9R1.33 COCN1CCC[C@H]1C 269982a_100015189458_100000766300 [0,2,0,0,0,0|2,0,0]=4 2897 B9R1.33 COC[C@@H]1CCCN1C 2230a_100020646714_200000210301 [0,2,0,0,0,0|1,0,0]=3 2898 B9R1.33 COC[C@@H]1CCCN1C 269982a_100020646714_200000210301 [0,2,0,0,0,0|1,0,0]=3 2899 B9R1.33 COC[C@@H]1CCCN1C 34a_100020646714_200000210301 [0,2,0,0,0,0|1,0,0]=3 2900 B9R1.33 COC[C@@H]1CCCN1[13CH3] 2230a_100020646714_200025704644 [0,2,0,0,0,0|1,0,0]=3 2901 B9R1.33 COC[C@@H]1CCCN1[13CH3] 269982a_100020646714_200025704644 [0,2,0,0,0,0|1,0,0]=3 2902 B9R1.33 COC[C@@H]1CCCN1[13CH3] 34a_100020646714_200025704644 [0,2,0,0,0,0|1,0,0]=3 2903 B9R1.33 C[C@@H]1CCCN1CCO 2230a_100015189458_100000211926 [0,2,0,0,0,0|2,0,0]=4 2904 B9R1.33 C[C@@H]1CCCN1CCO 269982a_100015189458_100000211926 [0,2,0,0,0,0|2,0,0]=4 2905 B9R1.33 C[C@@H]1CCCN1CCO 34a_100015189458_100000211926 [0,2,0,0,0,0|2,0,0]=4 2906 B9R1.33 C[C@H]1CCCN1CCO 2230a_100020605311_100000211926 [0,2,0,0,0,0|2,0,0]=4 2907 B9R1.33 C[C@H]1CCCN1CCO 269982a_100020605311_100000211926 [0,2,0,0,0,0|2,0,0]=4 2908 B9R1.33 FCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100015361967 [0,2,0,0,0,0|2,0,0]=4 2909 B9R1.33 N[C@H]1CCC[C@@H]1OCF 34a_100000748460_100015361967 [0,2,0,0,0,0|2,0,0]=4 2910 B9R1.33 O=C1CCCC1OCF 34a_200000719330_100015361967 [0,2,0,0,0,0|2,0,0]=4 2911 B9R1.33 O=C1CCCC1SCF 62a_100000211823_100015361967 [0,2,0,0,0,0|2,0,0]=4 2912 B9R1.33 O=C1CCCC1SCF 62a_100015361967_100000211823 [0,2,0,0,0,0|2,0,0]=4 2913 B9R1.33 O[C@@H]1CCC[C@H]1SCF 62a_100015361967_200016002552 [0,2,0,0,0,0|2,0,0]=4 2914 B9R1.33 O[C@@H]1CCC[C@H]1SCF 62a_200016002552_100015361967 [0,2,0,0,0,0|2,0,0]=4 2915 B9R1.33 [13CH3]OCC1CCNC1=O 34a_100000133458_200025704644 [0,2,0,0,0,0|2,0,0]=4 2916 B9R1.134 CC1(CCCC1)OCF 34a_100000751722_100015361967 [0,2,0,0,0,0|2,0,0]=4 2917 B9R1.134 CC1(CCCC1)OCF 7a_100000751722_100015361967 [0,2,0,0,0,0|2,0,0]=4 2918 B9R1.134 CC1(OCCO1)CN[13CH3] 2230a_100000691740_200025704644 [0,2,0,0,0,0|2,0,0]=4 2919 B9R1.134 CC1(OCCO1)CS[13CH3] 62a_100009818610_200025704644 [0,2,0,0,0,0|1,1,0]=4 2920 B9R1.134 CC1(OCCO1)CS[13CH3] 62a_200025704644_100009818610 [0,2,0,0,0,0|1,1,0]=4 2921 B9R1.134 CCOC1(CCCC1)C 34a_100000751722_100000210202 [0,2,0,0,0,0|2,0,0]=4 2922 B9R1.134 CCOC1(CCCC1)C 7a_100000751722_100000210202 [0,2,0,0,0,0|2,0,0]=4 2923 B9R1.134 CNCC1(CCCC1)O 2230a_100000737848_200000210301 [0,2,0,0,0,0|2,0,0]=4 2924 B9R1.134 CNCC1(OCCO1)C 2230a_100000691740_200000210301 [0,2,0,0,0,0|2,0,0]=4 2925 B9R1.134 COCC1(CCCC1)N 34a_100000749328_200000210301 [0,2,0,0,0,0|1,0,0]=3 2926 B9R1.134 COC[C@@]1(CCCN1)C 34a_100016195882_200000210301 [0,2,0,0,0,0|1,0,0]=3 2927 B9R1.134 CSCC1(OCCO1)C 62a_100009818610_200000210301 [0,2,0,0,0,0|1,1,0]=4 2928 B9R1.134 CSCC1(OCCO1)C 62a_200000210301_100009818610 [0,2,0,0,0,0|1,1,0]=4 2929 B9R1.134 C[C@]1(CCCN1)CO[13CH3] 34a_100016195882_200025704644 [0,2,0,0,0,0|1,0,0]=3 2930 B9R1.134 [13CH3]NCC1(CCCC1)O 2230a_100000737848_200025704644 [0,2,0,0,0,0|2,0,0]=4 2931 B9R1.134 [13CH3]OCC1(CCCC1)N 34a_100000749328_200025704644 [0,2,0,0,0,0|1,0,0]=3 2932 B9R1.14 CCC1CCCC1NC 269862a_106832991636_100000749056 [0,2,0,0,0,0|2,0,0]=4 2933 B9R1.14 CCC1CCCC1NC 270004a_106832991635_100000749056 [0,2,0,0,0,0|2,0,0]=4 2934 B9R1.14 CCC1CCCN1CC 2230a_100000754278_100000210202 [0,2,0,0,0,0|2,0,0]=4 2935 B9R1.14 CCC1CCCN1CC 269982a_100000754278_100000204670 [0,2,0,0,0,0|2,0,0]=4 2936 B9R1.14 CCC1CCCN1CC 34a_100000754278_100000210202 [0,2,0,0,0,0|2,0,0]=4 2937 B9R1.14 CCC1CCCN1CF 269982a_100000754278_100015361967 [0,2,0,0,0,0|2,0,0]=4 2938 B9R1.14 CCC1CCCN1CF 34a_100000754278_100015361967 [0,2,0,0,0,0|2,0,0]=4 2939 B9R1.14 CCN1CCC[C@@H]1CO 2230a_100000745186_100000210202 [0,2,0,0,0,0|1,0,0]=3 2940 B9R1.14 CCN1CCC[C@@H]1CO 269982a_100000745186_100000204670 [0,2,0,0,0,0|1,0,0]=3 2941 B9R1.14 CCN1CCC[C@@H]1CO 34a_100000745186_100000210202 [0,2,0,0,0,0|1,0,0]=3 2942 B9R1.14 OC[C@H]1CCCN1CF 269982a_100000745186_100015361967 [0,2,0,0,0,0|1,0,0]=3 2943 B9R1.14 OC[C@H]1CCCN1CF 34a_100000745186_100015361967 [0,2,0,0,0,0|1,0,0]=3 2944 B9R1.202 CN1CCC[C@@]1(C)CO 2230a_100016195882_200000210301 [0,2,0,0,0,0|1,0,0]=3 2945 B9R1.202 CN1CCC[C@@]1(C)CO 269982a_100016195882_200000210301 [0,2,0,0,0,0|1,0,0]=3 2946 B9R1.202 CN1CCC[C@@]1(C)CO 34a_100016195882_200000210301 [0,2,0,0,0,0|1,0,0]=3 2947 B9R1.202 C[C@]1(CCCN1[13CH3])CO 2230a_100016195882_200025704644 [0,2,0,0,0,0|1,0,0]=3 2948 B9R1.202 C[C@]1(CCCN1[13CH3])CO 269982a_100016195882_200025704644 [0,2,0,0,0,0|1,0,0]=3 2949 B9R1.202 C[C@]1(CCCN1[13CH3])CO 34a_100016195882_200025704644 [0,2,0,0,0,0|1,0,0]=3 2950 B9R1.204 CCC1(CCCC1)NC 2230a_100015183760_200000210301 [0,2,0,0,0,0|2,0,0]=4 2951 B9R1.204 CCC1(CCCC1)N[13CH3] 2230a_100015183760_200025704644 [0,2,0,0,0,0|2,0,0]=4 2952 B9R1.204 CCC1(CCCC1)OC 7a_100000752416_200000210301 [0,2,0,0,0,0|2,0,0]=4 2953 B9R1.204 CCC1(CCCC1)O[13CH3] 7a_100000752416_200025704644 [0,2,0,0,0,0|2,0,0]=4 2954 B9R1.204 CNC1(CCCC1)CO 2230a_100000749328_200000210301 [0,2,0,0,0,0|1,0,0]=3 2955 B9R1.204 CNC1(CCCC1)CO 34a_100000749328_200000210301 [0,2,0,0,0,0|1,0,0]=3 2956 B9R1.204 COC1(CCCC1)CN 34a_100000737848_200000210301 [0,2,0,0,0,0|2,0,0]=4 2957 B9R1.204 [13CH3]NC1(CCCC1)CO 2230a_100000749328_200025704644 [0,2,0,0,0,0|1,0,0]=3 2958 B9R1.204 [13CH3]NC1(CCCC1)CO 34a_100000749328_200025704644 [0,2,0,0,0,0|1,0,0]=3 2959 B9R1.204 [13CH3]OC1(CCCC1)CN 34a_100000737848_200025704644 [0,2,0,0,0,0|2,0,0]=4 2960 B7R1.3 CN1CCCOC1 2230a_100000131196_200000210301 [0,0,1,1,0,0|2,0,0]=4 2961 B7R1.3 CN1CCCOC1 269982a_100000131196_200000210301 [0,0,1,1,0,0|2,0,0]=4 2962 B7R1.3 CN1CCCOC1 34a_100000131196_200000210301 [0,0,1,1,0,0|2,0,0]=4 2963 B7R1.3 [13CH3]N1CCCOC1 2230a_100000131196_200025704644 [0,0,1,1,0,0|2,0,0]=4 2964 B7R1.3 [13CH3]N1CCCOC1 269982a_100000131196_200025704644 [0,0,1,1,0,0|2,0,0]=4 2965 B7R1.3 [13CH3]N1CCCOC1 34a_100000131196_200025704644 [0,0,1,1,0,0|2,0,0]=4 2966 B7R1.5 CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210202 [0,0,1,1,0,0|2,0,0]=4 2967 B7R1.5 CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210202 [0,0,1,1,0,0|2,0,0]=4 2968 B7R1.5 CCN[C@@H]1C[C@H]1F 34a_100025746932_100000210202 [0,0,1,1,0,0|2,0,0]=4 2969 B7R1.15 C[C@H]1[C@H](CN1C)O 2230a_206633788156_200000210301 [0,0,1,1,0,0|2,0,0]=4 2970 B7R1.15 C[C@H]1[C@H](CN1C)O 269982a_206633788156_200000210301 [0,0,1,1,0,0|2,0,0]=4 2971 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 2230a_206633788156_200025704644 [0,0,1,1,0,0|2,0,0]=4 2972 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 269982a_206633788156_200025704644 [0,0,1,1,0,0|2,0,0]=4 2973 B7R1.21 CC1(CC1)OCF 7a_100011725673_100015361967 [0,0,1,1,0,0|2,0,0]=4 2974 B7R1.21 CC1(CO1)CS[13CH3] 62a_100000760498_200025704644 [0,0,1,1,0,0|2,0,0]=4 2975 B7R1.21 CC1(CO1)CS[13CH3] 62a_200025704644_100000760498 [0,0,1,1,0,0|2,0,0]=4 2976 B7R1.21 CCNC1(CC1)C 2230a_100000757604_100000210202 [0,0,1,1,0,0|2,0,0]=4 2977 B7R1.21 CCOC1(CC1)C 7a_100011725673_100000210202 [0,0,1,1,0,0|1,0,0]=3 2978 B7R1.21 CNCC1(CC1)O 2230a_100011936951_200000210301 [0,0,1,1,0,0|2,0,0]=4 2979 B7R1.21 CNCC1(CO1)C 34a_100102657272_100000760498 [0,0,1,1,0,0|2,0,0]=4 2980 B7R1.21 COCC1(CO1)C 34a_100138415774_100000760498 [0,0,1,1,0,0|2,0,0]=4 2981 B7R1.21 CSCC1(CO1)C 62a_100000760498_200000210301 [0,0,1,1,0,0|2,0,0]=4 2982 B7R1.21 CSCC1(CO1)C 62a_200000210301_100000760498 [0,0,1,1,0,0|2,0,0]=4 2983 B7R1.21 [13CH3]NCC1(CC1)O 2230a_100011936951_200025704644 [0,0,1,1,0,0|2,0,0]=4 2984 B7R1.7 BrCCOC1CC1 34a_100000211926_100000211595 [0,0,1,1,0,0|1,0,0]=3 2985 B7R1.7 C#CCOC1CC1 34a_100000210247_100000211595 [0,0,1,1,0,0|1,0,1]=4 2986 B7R1.7 C=CCOC1CC1 34a_200000210373_100000211595 [0,0,1,1,0,0|1,0,1]=4 2987 B7R1.7 CCCNC1CC1 34a_100000212008_100000210303 [0,0,1,1,0,0|2,0,0]=4 2988 B7R1.7 CCCOC1CC1 34a_100000210258_100000211595 [0,0,1,1,0,0|1,0,0]=3 2989 B7R1.7 CCCSC1CC1 62a_100000210303_100000211595 [0,0,1,1,0,0|1,1,0]=4 2990 B7R1.7 CCNCC1CO1 2230a_100015525214_100011216344 [0,0,1,1,0,0|2,0,0]=4 2991 B7R1.7 CCOCC1CO1 34a_100121572206_102125554688 [0,0,1,1,0,0|2,0,0]=4 2992 B7R1.7 CCOC[C@@H]1CO1 34a_100000757423_100000210202 [0,0,1,1,0,0|2,0,0]=4 2993 B7R1.7 CCSCC1CO1 62a_100000210202_102125554688 [0,0,1,1,0,0|2,0,0]=4 2994 B7R1.7 CCSCC1CO1 62a_102125554688_100000210202 [0,0,1,1,0,0|2,0,0]=4 2995 B7R1.7 CCSC[C@@H]1CO1 62a_100000210202_100000745022 [0,0,1,1,0,0|2,0,0]=4 2996 B7R1.7 CCSC[C@@H]1CO1 62a_100000745022_100000210202 [0,0,1,1,0,0|2,0,0]=4 2997 B7R1.7 CNCCC1CO1 2230a_106832991635_100000732470 [0,0,1,1,0,0|2,0,0]=4 2998 B7R1.7 CNCCC1CO1 34a_100102657272_100000732470 [0,0,1,1,0,0|2,0,0]=4 2999 B7R1.7 CNCCC1CO1 7a_106832991635_100000732470 [0,0,1,1,0,0|2,0,0]=4 3000 B7R1.7 COCCC1CO1 34a_100138415774_100000732470 [0,0,1,1,0,0|2,0,0]=4 3001 B7R1.7 COCC[C@@H]1CO1 34a_100009820653_200000210301 [0,0,1,1,0,0|2,0,0]=4 3002 B7R1.7 CSCCC1CO1 62a_100000732470_200000210301 [0,0,1,1,0,0|2,0,0]=4 3003 B7R1.7 CSCCC1CO1 62a_200000210301_100000732470 [0,0,1,1,0,0|2,0,0]=4 3004 B7R1.7 FCCNC1CC1 34a_100000212008_100011217306 [0,0,1,1,0,0|2,0,0]=4 3005 B7R1.7 FCCNC1CC1 34a_100000724931_100000211595 [0,0,1,1,0,0|2,0,0]=4 3006 B7R1.7 FCCSC1CC1 62a_100011217306_100000211595 [0,0,1,1,0,0|1,1,0]=4 3007 B7R1.7 FCOC[C@@H]1CO1 34a_100000757423_100015361967 [0,0,1,1,0,0|2,0,0]=4 3008 B7R1.7 FCSCC1CO1 62a_100015361967_102125554688 [0,0,1,1,0,0|2,0,0]=4 3009 B7R1.7 FCSCC1CO1 62a_102125554688_100015361967 [0,0,1,1,0,0|2,0,0]=4 3010 B7R1.7 FCSC[C@@H]1CO1 62a_100000745022_100015361967 [0,0,1,1,0,0|2,0,0]=4 3011 B7R1.7 FCSC[C@@H]1CO1 62a_100015361967_100000745022 [0,0,1,1,0,0|2,0,0]=4 3012 B7R1.7 NCCOC1CC1 34a_100000210304_100000211595 [0,0,1,1,0,0|1,0,0]=3 3013 B7R1.7 OCCNC1CC1 34a_100000212008_100000211926 [0,0,1,1,0,0|1,0,0]=3 3014 B7R1.7 OCCNC1CC1 34a_100016990907_100000211595 [0,0,1,1,0,0|1,0,0]=3 3015 B7R1.7 OCCSC1CC1 62a_100000211926_100000211595 [0,0,1,1,0,0|0,1,0]=3 3016 B7R1.7 [13CH3]OCC[C@@H]1CO1 34a_100009820653_200025704644 [0,0,1,1,0,0|2,0,0]=4 3017 B7R1.7 [13CH3]SCCC1CO1 62a_100000732470_200025704644 [0,0,1,1,0,0|2,0,0]=4 3018 B7R1.7 [13CH3]SCCC1CO1 62a_200025704644_100000732470 [0,0,1,1,0,0|2,0,0]=4 3019 B7R1.29 CCC1(CC1)NC 2230a_100000732774_200000210301 [0,0,1,1,0,0|2,0,0]=4 3020 B7R1.29 CCC1(CC1)N[13CH3] 2230a_100000732774_200025704644 [0,0,1,1,0,0|2,0,0]=4 3021 B7R1.29 CNC1(CC1)CF 2230a_100000054953_200000210301 [0,0,1,1,0,0|2,0,0]=4 3022 B7R1.29 CNC1(CC1)CF 34a_100000054953_200000210301 [0,0,1,1,0,0|2,0,0]=4 3023 B7R1.29 COC1(CC1)C#N 34a_100138415774_100009889376 [0,0,1,1,0,0|1,0,1]=4 3024 B7R1.29 [13CH3]NC1(CC1)CF 2230a_100000054953_200025704644 [0,0,1,1,0,0|2,0,0]=4 3025 B7R1.29 [13CH3]NC1(CC1)CF 34a_100000054953_200025704644 [0,0,1,1,0,0|2,0,0]=4 3026 B9R2.39 CN1CC2CCC1C2 2230a_100000743476_200000210301 [0,1,0,1,0,0|2,0,0]=4 3027 B9R2.39 CN1CC2CCC1C2 269982a_100000743476_200000210301 [0,1,0,1,0,0|2,0,0]=4 3028 B9R2.39 CN1CC2CCC1C2 34a_100000743476_200000210301 [0,1,0,1,0,0|2,0,0]=4 3029 B9R2.39 CN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_200000210301 [0,1,0,1,0,0|1,0,0]=3 3030 B9R2.39 CN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_200000210301 [0,1,0,1,0,0|1,0,0]=3 3031 B9R2.39 CN1C[C@H]2C[C@@H]1CO2 34a_100016995552_200000210301 [0,1,0,1,0,0|1,0,0]=3 3032 B9R2.39 [13CH3]N1CC2CCC1C2 2230a_100000743476_200025704644 [0,1,0,1,0,0|2,0,0]=4 3033 B9R2.39 [13CH3]N1CC2CCC1C2 269982a_100000743476_200025704644 [0,1,0,1,0,0|2,0,0]=4 3034 B9R2.39 [13CH3]N1CC2CCC1C2 34a_100000743476_200025704644 [0,1,0,1,0,0|2,0,0]=4 3035 B9R2.39 [13CH3]N1C[C@H]2C[C@@H]1CO2 2230a_100016995552_200025704644 [0,1,0,1,0,0|1,0,0]=3 3036 B9R2.39 [13CH3]N1C[C@H]2C[C@@H]1CO2 269982a_100016995552_200025704644 [0,1,0,1,0,0|1,0,0]=3 3037 B9R2.39 [13CH3]N1C[C@H]2C[C@@H]1CO2 34a_100016995552_200025704644 [0,1,0,1,0,0|1,0,0]=3 3038 B9R2.5 CN1CCCC12CC2 2230a_100020620911_200000210301 [0,1,0,1,0,0|2,0,0]=4 3039 B9R2.5 CN1CCCC12CC2 269982a_100020620911_200000210301 [0,1,0,1,0,0|2,0,0]=4 3040 B9R2.5 CN1CCCC12CC2 34a_100020620911_200000210301 [0,1,0,1,0,0|2,0,0]=4 3041 B9R2.5 [13CH3]N1CCCC12CC2 2230a_100020620911_200025704644 [0,1,0,1,0,0|2,0,0]=4 3042 B9R2.5 [13CH3]N1CCCC12CC2 269982a_100020620911_200025704644 [0,1,0,1,0,0|2,0,0]=4 3043 B9R2.5 [13CH3]N1CCCC12CC2 34a_100020620911_200025704644 [0,1,0,1,0,0|2,0,0]=4 3044 B5R1.2 CN1CCC1 269982a_100000754969_200000210301 [1,0,0,0,1,0|1,0,0]=3 3045 B5R1.2 [13CH3]N1CCC1 269982a_100000754969_200025704644 [1,0,0,0,1,0|1,0,0]=3 3046 B5R1.3 CNC1CC1 34a_100000212008_200000210301 [0,0,0,0,2,0|2,0,0]=4 3047 B5R1.3 CNC1CC1 34a_100102657272_100000211595 [0,0,0,0,2,0|2,0,0]=4 3048 B5R1.3 COC1CC1 34a_100138415774_100000211595 [0,0,0,0,2,0|2,0,0]=4 3049 B5R1.3 CSC1CC1 62a_200000210301_100000211595 [0,0,0,0,2,0|2,0,0]=4 3050 B5R1.3 [13CH3]NC1CC1 34a_100000212008_200025704644 [0,0,0,0,2,0|2,0,0]=4 3051 B5R1.3 [13CH3]SC1CC1 62a_200025704644_100000211595 [0,0,0,0,2,0|2,0,0]=4 3052 B9R1.89 CCN1CCCOCC1 2230a_100000685342_100000210202 [0,0,0,0,0,2|2,0,0]=4 3053 B9R1.89 CCN1CCCOCC1 269982a_100000685342_100000204670 [0,0,0,0,0,2|2,0,0]=4 3054 B9R1.89 CCN1CCCOCC1 34a_100000685342_100000210202 [0,0,0,0,0,2|2,0,0]=4 3055 B9R1.89 FCN1CCCOCC1 269982a_100000685342_100015361967 [0,0,0,0,0,2|2,0,0]=4 3056 B9R1.89 FCN1CCCOCC1 34a_100000685342_100015361967 [0,0,0,0,0,2|2,0,0]=4