0 B9R1.11 C#CC(=O)C1CCCC1 1458a_100000211873_100000179811 [0,0,0,0,0,0|1,0,3]=4 1 B9R1.11 C=CC(=O)C1CCCC1 1458a_100000185746_100000179811 [0,0,0,0,0,0|1,0,3]=4 2 B9R1.11 C=CC(=O)N1CCCC1 240690a_100000188435_200121576911 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.11 CCC(=O)C1=CCOC1 1458a_100000139269_100000210202 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.11 CCC(=O)C1=COCC1 1458a_100000750620_100000210202 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.11 CCC(=O)C1CC=CC1 1458a_100000759439_100000210202 [0,0,0,0,0,0|1,0,3]=4 7 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [0,0,0,0,0,0|1,0,1]=2 8 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [0,0,0,0,0,0|1,0,1]=2 9 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [0,0,0,0,0,0|1,0,1]=2 10 B9R1.11 CCC(=O)C1CCOC1 1458a_100000210414_100000690089 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.11 CCC(=O)C1CCOC1 1458a_100011219752_100000210202 [0,0,0,0,0,0|2,0,1]=3 12 B9R1.11 CCC(=O)N1CC=CC1 1626a_100015195280_100000210414 [0,0,0,0,0,0|2,0,2]=4 13 B9R1.11 CCC(=O)N1CC=CC1 240690a_100015195280_100000210414 [0,0,0,0,0,0|2,0,2]=4 14 B9R1.11 CCC(=O)N1CCCC1 240690a_100000188435_100000210414 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.11 CCC(=O)N1CCCC1 527a_100000188435_100000210414 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.11 CCC(=O)N1CCSC1 11a_100011215254_100000210414 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.11 CCC(=O)N1CCSC1 240690a_100011215254_100000210414 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.11 CCC(=O)N1CCSC1 527a_100011215254_100000210414 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [0,0,0,0,0,0|1,0,1]=2 20 B9R1.11 CCC(C)N1CCCC1 2230a_100000188435_100000758301 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.11 CCC(C)N1CCCC1 269982a_100000188435_100000758301 [0,0,0,0,0,0|3,0,1]=4 22 B9R1.11 CCN(C)C1CCCC1 2230a_100000207505_100000210202 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.11 CCN(C)C1CCCC1 2230a_100000225621_100000179811 [0,0,0,0,0,0|3,0,1]=4 24 B9R1.11 CCN(C)C1CCCC1 269982a_100000207505_100000204670 [0,0,0,0,0,0|3,0,1]=4 25 B9R1.11 CCN(C)C1CCCC1 269982a_100000225621_100000179811 [0,0,0,0,0,0|3,0,1]=4 26 B9R1.11 CCN(C)C1CCCC1 34a_100000207505_100000210202 [0,0,0,0,0,0|3,0,1]=4 27 B9R1.11 CNC(=O)C1=CCCC1 11a_106832991635_100000038896 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.11 CNC(=O)C1=CCCC1 1626a_100102657272_100000038896 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.11 CNC(=O)C1=CCCC1 240690a_100102657272_100000038896 [0,0,0,0,0,0|2,0,0]=2 30 B9R1.11 CNC(=O)C1=CCOC1 11a_106832991635_100000139269 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.11 CNC(=O)C1=CCOC1 1626a_100102657272_100000139269 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.11 CNC(=O)C1=CCOC1 240690a_100102657272_100000139269 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.11 CNC(=O)C1=COCC1 1626a_100102657272_100000750620 [0,0,0,0,0,0|3,0,0]=3 34 B9R1.11 CNC(=O)C1=COCC1 240690a_100102657272_100000750620 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.11 CNC(=O)C1CCCC1 11a_106832991635_100000210718 [0,0,0,0,0,0|2,0,1]=3 36 B9R1.11 CNC(=O)C1CCCC1 1626a_100102657272_100000210718 [0,0,0,0,0,0|2,0,1]=3 37 B9R1.11 CNC(=O)C1CCCC1 240690a_100102657272_100000210718 [0,0,0,0,0,0|2,0,1]=3 38 B9R1.11 CNC(=O)C1CCCC1 527a_100102657272_100000210718 [0,0,0,0,0,0|2,0,1]=3 39 B9R1.11 CNC(=O)C1CCCS1 11a_106832991635_100012002731 [0,0,0,0,0,0|2,0,1]=3 40 B9R1.11 CNC(=O)C1CCCS1 1626a_100102657272_100012002731 [0,0,0,0,0,0|2,0,1]=3 41 B9R1.11 CNC(=O)C1CCCS1 240690a_100102657272_100012002731 [0,0,0,0,0,0|2,0,1]=3 42 B9R1.11 CNC(=O)C1CCCS1 527a_100102657272_100012002731 [0,0,0,0,0,0|2,0,1]=3 43 B9R1.11 CNC(=O)C1CCOC1 11a_106832991635_100011219752 [0,0,0,0,0,0|3,0,1]=4 44 B9R1.11 CNC(=O)C1CCOC1 1626a_100102657272_100011219752 [0,0,0,0,0,0|3,0,1]=4 45 B9R1.11 CNC(=O)C1CCOC1 240690a_100102657272_100011219752 [0,0,0,0,0,0|3,0,1]=4 46 B9R1.11 CNC(=O)C1CCOC1 527a_100102657272_100011219752 [0,0,0,0,0,0|3,0,1]=4 47 B9R1.11 CNC(=O)N1CCCC1 2708a_100102657272_100000188435 [0,0,0,0,0,0|3,0,0]=3 48 B9R1.11 CNC(=O)N1CCCC1 273464a_100102657272_100000188435 [0,0,0,0,0,0|3,0,0]=3 49 B9R1.11 CNC(=O)N1CCSC1 2708a_100102657272_100011215254 [0,0,0,0,0,0|4,0,0]=4 50 B9R1.11 CNC(=O)N1CCSC1 273464a_100102657272_100011215254 [0,0,0,0,0,0|4,0,0]=4 51 B9R1.11 CNC(=O)[C@@H]1CCCO1 11a_106832991635_100000686382 [0,0,0,0,0,0|2,0,1]=3 52 B9R1.11 CNC(=O)[C@@H]1CCCO1 1626a_100102657272_100000686382 [0,0,0,0,0,0|2,0,1]=3 53 B9R1.11 CNC(=O)[C@@H]1CCCO1 240690a_100102657272_100000686382 [0,0,0,0,0,0|2,0,1]=3 54 B9R1.11 CNC(=O)[C@@H]1CCCO1 527a_100102657272_100000686382 [0,0,0,0,0,0|2,0,1]=3 55 B9R1.11 O=C(CF)C1=CCCC1 1458a_100000038896_100015361967 [0,0,0,0,0,0|2,0,0]=2 56 B9R1.11 O=C(CF)C1=CCOC1 1458a_100000139269_100015361967 [0,0,0,0,0,0|3,0,0]=3 57 B9R1.11 O=C(CF)C1=COCC1 1458a_100000750620_100015361967 [0,0,0,0,0,0|3,0,0]=3 58 B9R1.11 O=C(CF)C1CCCC1 1458a_100000210718_100015361967 [0,0,0,0,0,0|2,0,1]=3 59 B9R1.11 O=C(CF)C1CCCS1 1458a_100012002731_100015361967 [0,0,0,0,0,0|2,0,1]=3 60 B9R1.11 O=C(CF)C1CCOC1 1458a_100011219752_100015361967 [0,0,0,0,0,0|3,0,1]=4 61 B9R1.11 O=C(CF)[C@@H]1CCCO1 1458a_100000686382_100015361967 [0,0,0,0,0,0|2,0,1]=3 62 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [0,0,0,0,0,0|2,0,1]=3 63 B9R1.11 O=C(CO)C1CCOC1 1458a_100000210174_100000690089 [0,0,0,0,0,0|3,0,1]=4 64 B9R1.11 O=C(CO)N1CCCC1 240690a_100000188435_100000210174 [0,0,0,0,0,0|3,0,0]=3 65 B9R1.11 O=C(CO)N1CCCC1 527a_100000188435_100000210174 [0,0,0,0,0,0|3,0,0]=3 66 B9R1.11 O=C(CO)N1CCSC1 240690a_100011215254_100000210174 [0,0,0,0,0,0|4,0,0]=4 67 B9R1.11 O=C(CO)N1CCSC1 527a_100011215254_100000210174 [0,0,0,0,0,0|4,0,0]=4 68 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [1,0,0,0,0,0|1,0,0]=2 69 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [1,0,0,0,0,0|2,0,0]=3 70 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [1,0,0,0,0,0|2,0,0]=3 71 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [1,0,0,0,0,0|1,0,1]=3 72 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [1,0,0,0,0,0|1,0,1]=3 73 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [1,0,0,0,0,0|1,0,1]=3 74 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [1,0,0,0,0,0|2,0,1]=4 75 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [1,0,0,0,0,0|2,0,1]=4 76 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [1,0,0,0,0,0|2,0,0]=3 77 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [1,0,0,0,0,0|2,0,0]=3 78 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [1,0,0,0,0,0|3,0,0]=4 80 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [1,0,0,0,0,0|1,0,1]=3 82 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [1,0,0,0,0,0|1,0,0]=2 83 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [1,0,0,0,0,0|2,0,0]=3 84 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [1,0,0,0,0,0|2,0,0]=3 85 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [1,0,0,0,0,0|1,0,1]=3 86 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [1,0,0,0,0,0|1,0,1]=3 87 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [1,0,0,0,0,0|2,0,1]=4 88 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [1,0,0,0,0,0|1,0,1]=3 89 B8R1.8 CCCN1CCCC1 2230a_100000188435_100000210303 [1,0,0,0,0,0|2,0,1]=4 90 B8R1.8 CCCN1CCCC1 269982a_100000188435_100000210303 [1,0,0,0,0,0|2,0,1]=4 91 B8R1.8 CCNC1CCCC1 2230a_100000211070_100000210202 [1,0,0,0,0,0|2,0,1]=4 92 B8R1.8 CCNC1CCCC1 2230a_100015525214_100000179811 [1,0,0,0,0,0|2,0,1]=4 93 B8R1.8 CCNC1CCCC1 270004a_100015525214_100000210133 [1,0,0,0,0,0|2,0,1]=4 94 B8R1.8 CCNC1CCCC1 34a_100000211070_100000210202 [1,0,0,0,0,0|2,0,1]=4 95 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [1,0,0,0,0,0|2,0,1]=4 96 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [1,0,0,0,0,0|2,0,1]=4 97 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [1,0,0,0,0,0|2,0,1]=4 98 B8R1.8 CCOC1CCCO1 34a_100000085407_100000210202 [1,0,0,0,0,0|2,0,1]=4 99 B8R1.8 CCSC1CCCC1 62a_100000210202_100000179811 [1,0,0,0,0,0|2,0,1]=4 100 B8R1.8 CCSC1CCCC1 62a_100011217020_100000210202 [1,0,0,0,0,0|2,0,1]=4 101 B8R1.8 CNCC1=NCCN1 34a_100102657272_100000737910 [1,0,0,0,0,0|2,0,1]=4 102 B8R1.8 CNCC1=NCCN1 7a_106832991635_100000737910 [1,0,0,0,0,0|2,0,1]=4 103 B8R1.8 COCC1=NCCN1 34a_100138415774_100000737910 [1,0,0,0,0,0|2,0,1]=4 104 B8R1.8 CSCC1=NCCN1 62a_100000737910_200000210301 [1,0,0,0,0,0|2,0,1]=4 105 B8R1.8 CSCC1=NCCN1 62a_200000210301_100000737910 [1,0,0,0,0,0|2,0,1]=4 106 B8R1.8 [13CH3]SCC1=NCCN1 62a_100000737910_200025704644 [1,0,0,0,0,0|2,0,1]=4 107 B8R1.8 [13CH3]SCC1=NCCN1 62a_200025704644_100000737910 [1,0,0,0,0,0|2,0,1]=4 108 B10R1.6 CCS(=O)(=O)N1CCCC1 270084a_100000188435_100000211323 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.6 CCS(=O)(=O)N1CCCC1 274078a_100000188435_100000211323 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.6 CCS(=O)(=O)N1CCCC1 40a_100000188435_100000053943 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.11 C#CCC(=O)C1=CCCC1 1458a_100000038896_100000184674 [0,1,0,0,0,0|1,0,1]=3 112 B10R1.11 C#CCC(=O)C1=CCOC1 1458a_100000139269_100000184674 [0,1,0,0,0,0|2,0,1]=4 113 B10R1.11 C#CCC(=O)C1=COCC1 1458a_100000750620_100000184674 [0,1,0,0,0,0|2,0,1]=4 114 B10R1.11 C#CCC(=O)C1CCCC1 1458a_100000210718_100000184674 [0,1,0,0,0,0|1,0,2]=4 115 B10R1.11 C#CCC(=O)C1CCCC1 1458a_100011220946_100000179811 [0,1,0,0,0,0|1,0,2]=4 116 B10R1.11 C#CCC(=O)C1CCCS1 1458a_100012002731_100000184674 [0,1,0,0,0,0|1,0,2]=4 117 B10R1.11 C#CCC(=O)N1CCCC1 527a_100000188435_100011220946 [0,1,0,0,0,0|2,0,1]=4 118 B10R1.11 C#CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000184674 [0,1,0,0,0,0|1,0,2]=4 119 B10R1.11 C=CCC(=O)C1=CCCC1 1458a_100000038896_100000210623 [0,1,0,0,0,0|1,0,1]=3 120 B10R1.11 C=CCC(=O)C1=CCOC1 1458a_100000139269_100000210623 [0,1,0,0,0,0|2,0,1]=4 121 B10R1.11 C=CCC(=O)C1=COCC1 1458a_100000750620_100000210623 [0,1,0,0,0,0|2,0,1]=4 122 B10R1.11 C=CCC(=O)C1CCCC1 1458a_100000210193_100000179811 [0,1,0,0,0,0|1,0,2]=4 123 B10R1.11 C=CCC(=O)C1CCCC1 1458a_100000210718_100000210623 [0,1,0,0,0,0|1,0,2]=4 124 B10R1.11 C=CCC(=O)C1CCCS1 1458a_100012002731_100000210623 [0,1,0,0,0,0|1,0,2]=4 125 B10R1.11 C=CCC(=O)N1CCCC1 240690a_100000188435_100000210193 [0,1,0,0,0,0|2,0,1]=4 126 B10R1.11 C=CCC(=O)N1CCCC1 527a_100000188435_100000210193 [0,1,0,0,0,0|2,0,1]=4 127 B10R1.11 C=CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210623 [0,1,0,0,0,0|1,0,2]=4 128 B10R1.11 CC#CC(=O)C1CCCC1 1458a_100000763181_100000179811 [0,1,0,0,0,0|1,0,2]=4 129 B10R1.11 CC=CC(=O)C1CCCC1 1458a_100000210699_100000179811 [0,1,0,0,0,0|1,0,2]=4 130 B10R1.11 CC=CC(=O)N1CCCC1 240690a_100000188435_100000210699 [0,1,0,0,0,0|2,0,1]=4 131 B10R1.11 CCCC(=O)C1=CCCC1 1458a_100000038896_100000210303 [0,1,0,0,0,0|1,0,0]=2 132 B10R1.11 CCCC(=O)C1=CCOC1 1458a_100000139269_100000210303 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.11 CCCC(=O)C1=COCC1 1458a_100000750620_100000210303 [0,1,0,0,0,0|2,0,0]=3 134 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000210718_100000210303 [0,1,0,0,0,0|1,0,1]=3 135 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000211992_100000179811 [0,1,0,0,0,0|1,0,1]=3 136 B10R1.11 CCCC(=O)C1CCCS1 1458a_100012002731_100000210303 [0,1,0,0,0,0|1,0,1]=3 137 B10R1.11 CCCC(=O)C1CCOC1 1458a_100000211992_100000690089 [0,1,0,0,0,0|2,0,1]=4 138 B10R1.11 CCCC(=O)C1CCOC1 1458a_100011219752_100000210303 [0,1,0,0,0,0|2,0,1]=4 139 B10R1.11 CCCC(=O)N1CCCC1 240690a_100000188435_100000211992 [0,1,0,0,0,0|2,0,0]=3 140 B10R1.11 CCCC(=O)N1CCCC1 527a_100000188435_100000211992 [0,1,0,0,0,0|2,0,0]=3 141 B10R1.11 CCCC(=O)N1CCSC1 11a_100011215254_100000211992 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.11 CCCC(=O)N1CCSC1 240690a_100011215254_100000211992 [0,1,0,0,0,0|3,0,0]=4 143 B10R1.11 CCCC(=O)N1CCSC1 527a_100011215254_100000211992 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.11 CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210303 [0,1,0,0,0,0|1,0,1]=3 145 B10R1.11 CCNC(=O)C1=CCCC1 11a_100015525214_100000038896 [0,1,0,0,0,0|1,0,0]=2 146 B10R1.11 CCNC(=O)C1=CCCC1 240690a_100015525214_100000038896 [0,1,0,0,0,0|1,0,0]=2 147 B10R1.11 CCNC(=O)C1=CCOC1 11a_100015525214_100000139269 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.11 CCNC(=O)C1=CCOC1 240690a_100015525214_100000139269 [0,1,0,0,0,0|2,0,0]=3 149 B10R1.11 CCNC(=O)C1=COCC1 240690a_100015525214_100000750620 [0,1,0,0,0,0|2,0,0]=3 150 B10R1.11 CCNC(=O)C1CCCC1 11a_100015525214_100000210718 [0,1,0,0,0,0|1,0,1]=3 151 B10R1.11 CCNC(=O)C1CCCC1 240690a_100015525214_100000210718 [0,1,0,0,0,0|1,0,1]=3 152 B10R1.11 CCNC(=O)C1CCCC1 527a_100015525214_100000210718 [0,1,0,0,0,0|1,0,1]=3 153 B10R1.11 CCNC(=O)C1CCCS1 11a_100015525214_100012002731 [0,1,0,0,0,0|1,0,1]=3 154 B10R1.11 CCNC(=O)C1CCCS1 240690a_100015525214_100012002731 [0,1,0,0,0,0|1,0,1]=3 155 B10R1.11 CCNC(=O)C1CCCS1 527a_100015525214_100012002731 [0,1,0,0,0,0|1,0,1]=3 156 B10R1.11 CCNC(=O)C1CCOC1 11a_100015525214_100011219752 [0,1,0,0,0,0|2,0,1]=4 157 B10R1.11 CCNC(=O)C1CCOC1 240690a_100015525214_100011219752 [0,1,0,0,0,0|2,0,1]=4 158 B10R1.11 CCNC(=O)C1CCOC1 527a_100015525214_100011219752 [0,1,0,0,0,0|2,0,1]=4 159 B10R1.11 CCNC(=O)N1CCCC1 2708a_100015525214_100000188435 [0,1,0,0,0,0|2,0,0]=3 160 B10R1.11 CCNC(=O)N1CCCC1 273464a_100015525214_100000188435 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.11 CCNC(=O)N1CCSC1 2708a_100015525214_100011215254 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.11 CCNC(=O)N1CCSC1 273464a_100015525214_100011215254 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.11 CCNC(=O)[C@@H]1CCCO1 11a_100015525214_100000686382 [0,1,0,0,0,0|1,0,1]=3 164 B10R1.11 CCNC(=O)[C@@H]1CCCO1 240690a_100015525214_100000686382 [0,1,0,0,0,0|1,0,1]=3 165 B10R1.11 CCNC(=O)[C@@H]1CCCO1 527a_100015525214_100000686382 [0,1,0,0,0,0|1,0,1]=3 166 B10R1.11 CNCC(=O)N1CCCC1 2230a_100000751844_200000210301 [0,1,0,0,0,0|2,0,0]=3 167 B10R1.11 CNCC(=O)N1CCCC1 2230a_106832991635_100000183516 [0,1,0,0,0,0|2,0,0]=3 168 B10R1.11 CNCC(=O)N1CCCC1 34a_100102657272_100000183516 [0,1,0,0,0,0|2,0,0]=3 169 B10R1.11 CNCC(=O)N1CCCC1 7a_106832991635_100000183516 [0,1,0,0,0,0|2,0,0]=3 170 B10R1.11 CNCC(=O)c1nccs1 7a_106832991635_100000718653 [0,1,0,0,0,0|1,0,2]=4 171 B10R1.11 CNNC(=O)C1=CCCC1 22a_100016993582_100000038896 [0,1,0,0,0,0|2,0,0]=3 172 B10R1.11 CNNC(=O)C1=CCOC1 22a_100016993582_100000139269 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.11 CNNC(=O)C1=COCC1 22a_100016993582_100000750620 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.11 CNNC(=O)C1CCCC1 22a_100016993582_100000210718 [0,1,0,0,0,0|2,0,1]=4 175 B10R1.11 CNNC(=O)C1CCCS1 22a_100016993582_100012002731 [0,1,0,0,0,0|2,0,1]=4 176 B10R1.11 CNNC(=O)[C@@H]1CCCO1 22a_100016993582_100000686382 [0,1,0,0,0,0|2,0,1]=4 177 B10R1.11 COCC(=O)C1CCCC1 1458a_100000210968_100000179811 [0,1,0,0,0,0|1,0,1]=3 178 B10R1.11 COCC(=O)C1CCOC1 1458a_100000210968_100000690089 [0,1,0,0,0,0|2,0,1]=4 179 B10R1.11 COCC(=O)N1CCCC1 240690a_100000188435_100000210968 [0,1,0,0,0,0|2,0,0]=3 180 B10R1.11 COCC(=O)N1CCCC1 34a_100138415774_100000183516 [0,1,0,0,0,0|2,0,0]=3 181 B10R1.11 COCC(=O)N1CCCC1 527a_100000188435_100000210968 [0,1,0,0,0,0|2,0,0]=3 182 B10R1.11 COCC(=O)N1CCCC1 7a_200000752455_200000210301 [0,1,0,0,0,0|2,0,0]=3 183 B10R1.11 COCC(=O)N1CCSC1 11a_100011215254_100000210968 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.11 COCC(=O)N1CCSC1 240690a_100011215254_100000210968 [0,1,0,0,0,0|3,0,0]=4 185 B10R1.11 COCC(=O)N1CCSC1 527a_100011215254_100000210968 [0,1,0,0,0,0|3,0,0]=4 186 B10R1.11 CSCC(=O)C1CCCC1 1458a_100000184570_100000179811 [0,1,0,0,0,0|1,0,1]=3 187 B10R1.11 CSCC(=O)C1CCOC1 1458a_100000184570_100000690089 [0,1,0,0,0,0|2,0,1]=4 188 B10R1.11 CSCC(=O)N1CCCC1 240690a_100000188435_100000184570 [0,1,0,0,0,0|2,0,0]=3 189 B10R1.11 CSCC(=O)N1CCCC1 527a_100000188435_100000184570 [0,1,0,0,0,0|2,0,0]=3 190 B10R1.11 CSCC(=O)N1CCCC1 62a_100000183516_200000210301 [0,1,0,0,0,0|2,0,0]=3 191 B10R1.11 CSCC(=O)N1CCCC1 62a_200000210301_100000183516 [0,1,0,0,0,0|2,0,0]=3 192 B10R1.11 CSCC(=O)N1CCSC1 11a_100011215254_100000184570 [0,1,0,0,0,0|3,0,0]=4 193 B10R1.11 CSCC(=O)N1CCSC1 240690a_100011215254_100000184570 [0,1,0,0,0,0|3,0,0]=4 194 B10R1.11 CSCC(=O)N1CCSC1 527a_100011215254_100000184570 [0,1,0,0,0,0|3,0,0]=4 195 B10R1.11 CSCC(=O)c1nccs1 62a_100000718653_200000210301 [0,1,0,0,0,0|1,0,2]=4 196 B10R1.11 CSCC(=O)c1nccs1 62a_200000210301_100000718653 [0,1,0,0,0,0|1,0,2]=4 197 B10R1.11 N#CCC(=O)C1=CCCC1 1458a_100000038896_100011214920 [0,1,0,0,0,0|1,0,1]=3 198 B10R1.11 N#CCC(=O)C1=CCOC1 1458a_100000139269_100011214920 [0,1,0,0,0,0|2,0,1]=4 199 B10R1.11 N#CCC(=O)C1=COCC1 1458a_100000750620_100011214920 [0,1,0,0,0,0|2,0,1]=4 200 B10R1.11 N#CCC(=O)C1CCCC1 1458a_100000210718_100011214920 [0,1,0,0,0,0|1,0,2]=4 201 B10R1.11 N#CCC(=O)C1CCCC1 1458a_100051588842_100000179811 [0,1,0,0,0,0|1,0,2]=4 202 B10R1.11 N#CCC(=O)C1CCCS1 1458a_100012002731_100011214920 [0,1,0,0,0,0|1,0,2]=4 203 B10R1.11 N#CCC(=O)N1CCCC1 240690a_100000188435_100051588842 [0,1,0,0,0,0|2,0,1]=4 204 B10R1.11 N#CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100011214920 [0,1,0,0,0,0|1,0,2]=4 205 B10R1.11 O=C(CCF)C1=CCCC1 1458a_100000038896_100011217306 [0,1,0,0,0,0|1,0,0]=2 206 B10R1.11 O=C(CCF)C1=CCOC1 1458a_100000139269_100011217306 [0,1,0,0,0,0|2,0,0]=3 207 B10R1.11 O=C(CCF)C1=COCC1 1458a_100000750620_100011217306 [0,1,0,0,0,0|2,0,0]=3 208 B10R1.11 O=C(CCF)C1CCCC1 1458a_100000210718_100011217306 [0,1,0,0,0,0|1,0,1]=3 209 B10R1.11 O=C(CCF)C1CCCS1 1458a_100012002731_100011217306 [0,1,0,0,0,0|1,0,1]=3 210 B10R1.11 O=C(CCF)C1CCOC1 1458a_100011219752_100011217306 [0,1,0,0,0,0|2,0,1]=4 211 B10R1.11 O=C(CCF)[C@@H]1CCCO1 1458a_100000686382_100011217306 [0,1,0,0,0,0|1,0,1]=3 212 B10R1.11 O=C(CCO)C1=CCCC1 1458a_100000038896_100000211926 [0,1,0,0,0,0|1,0,0]=2 213 B10R1.11 O=C(CCO)C1=CCOC1 1458a_100000139269_100000211926 [0,1,0,0,0,0|2,0,0]=3 214 B10R1.11 O=C(CCO)C1=COCC1 1458a_100000750620_100000211926 [0,1,0,0,0,0|2,0,0]=3 215 B10R1.11 O=C(CCO)C1CCCC1 1458a_100000210718_100000211926 [0,1,0,0,0,0|1,0,1]=3 216 B10R1.11 O=C(CCO)C1CCCC1 1458a_100011216618_100000179811 [0,1,0,0,0,0|1,0,1]=3 217 B10R1.11 O=C(CCO)C1CCCS1 1458a_100012002731_100000211926 [0,1,0,0,0,0|1,0,1]=3 218 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011216618_100000690089 [0,1,0,0,0,0|2,0,1]=4 219 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011219752_100000211926 [0,1,0,0,0,0|2,0,1]=4 220 B10R1.11 O=C(CCO)N1CCCC1 240690a_100000188435_100011216618 [0,1,0,0,0,0|2,0,0]=3 221 B10R1.11 O=C(CCO)N1CCSC1 240690a_100011215254_100011216618 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.11 O=C(CCO)[C@@H]1CCCO1 1458a_100000686382_100000211926 [0,1,0,0,0,0|1,0,1]=3 223 B10R1.11 [13CH3]NCC(=O)N1CCCC1 2230a_100000751844_200025704644 [0,1,0,0,0,0|2,0,0]=3 224 B10R1.11 [13CH3]OCC(=O)N1CCCC1 7a_200000752455_200025704644 [0,1,0,0,0,0|2,0,0]=3 225 B10R1.11 [13CH3]SCC(=O)N1CCCC1 62a_100000183516_200025704644 [0,1,0,0,0,0|2,0,0]=3 226 B10R1.11 [13CH3]SCC(=O)N1CCCC1 62a_200025704644_100000183516 [0,1,0,0,0,0|2,0,0]=3 227 B10R1.11 [13CH3]SCC(=O)c1nccs1 62a_100000718653_200025704644 [0,1,0,0,0,0|1,0,2]=4 228 B10R1.11 [13CH3]SCC(=O)c1nccs1 62a_200025704644_100000718653 [0,1,0,0,0,0|1,0,2]=4 229 B10R1.14 CCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210202 [0,1,0,0,0,0|0,0,3]=4 230 B10R1.14 CCC(=O)C1CCC(C1)O 1458a_100000688591_100000210202 [0,1,0,0,0,0|1,0,1]=3 231 B10R1.14 CCC(=O)C1CCN(C1)C 1458a_100000739633_100000210202 [0,1,0,0,0,0|2,0,1]=4 232 B10R1.14 CCC(=O)C1CSC(=N1)N 1458a_100000002200_100000210202 [0,1,0,0,0,0|1,0,2]=4 233 B10R1.14 CCC(=O)N1CCC(C1)O 240690a_100011215560_100000210414 [0,1,0,0,0,0|2,0,0]=3 234 B10R1.14 CCC(=O)N1CCC(C1)O 527a_100011215560_100000210414 [0,1,0,0,0,0|2,0,0]=3 235 B10R1.14 CCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000210414 [0,1,0,0,0,0|2,0,0]=3 236 B10R1.14 CCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000210414 [0,1,0,0,0,0|2,0,0]=3 237 B10R1.14 CCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000210414 [0,1,0,0,0,0|2,0,0]=3 238 B10R1.14 CCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000210414 [0,1,0,0,0,0|2,0,0]=3 239 B10R1.14 CCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000210414 [0,1,0,0,0,0|2,0,0]=3 240 B10R1.14 CCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210414 [0,1,0,0,0,0|2,0,0]=3 241 B10R1.14 CCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000210414 [0,1,0,0,0,0|2,0,0]=3 242 B10R1.14 CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210202 [0,1,0,0,0,0|1,0,2]=4 243 B10R1.14 CNC(=O)C1=NNC(=O)C1 240690a_100102657272_200000752725 [0,1,0,0,0,0|2,0,1]=4 244 B10R1.14 CNC(=O)C1=NNC(=O)C1 527a_100102657272_200000752725 [0,1,0,0,0,0|2,0,1]=4 245 B10R1.14 CNC(=O)C1CCC(C1)O 1626a_100102657272_100000688591 [0,1,0,0,0,0|2,0,1]=4 246 B10R1.14 CNC(=O)C1CCC(C1)O 240690a_100102657272_100000688591 [0,1,0,0,0,0|2,0,1]=4 247 B10R1.14 CNC(=O)N1CCC(C1)O 2708a_100102657272_100011215560 [0,1,0,0,0,0|3,0,0]=4 248 B10R1.14 CNC(=O)N1CCC(C1)O 273464a_100102657272_100011215560 [0,1,0,0,0,0|3,0,0]=4 249 B10R1.14 CNC(=O)N1CC[C@@H](C1)F 2708a_100102657272_100015203821 [0,1,0,0,0,0|3,0,0]=4 250 B10R1.14 CNC(=O)N1CC[C@@H](C1)F 273464a_100102657272_100015203821 [0,1,0,0,0,0|3,0,0]=4 251 B10R1.14 CNC(=O)N1CC[C@H](C1)C 2708a_100102657272_100016987628 [0,1,0,0,0,0|3,0,0]=4 252 B10R1.14 CNC(=O)N1CC[C@H](C1)C 273464a_100102657272_100016987628 [0,1,0,0,0,0|3,0,0]=4 253 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO 240690a_100016987628_100000210174 [0,1,0,0,0,0|3,0,0]=4 254 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO 527a_100016987628_100000210174 [0,1,0,0,0,0|3,0,0]=4 255 B10R1.14 O=C(CF)C1CCC(C1)O 1458a_100000688591_100015361967 [0,1,0,0,0,0|2,0,1]=4 256 B10R1.14 O=C(CO)N1CCC(C1)O 240690a_100011215560_100000210174 [0,1,0,0,0,0|3,0,0]=4 257 B10R1.14 O=C(CO)N1CCC(C1)O 527a_100011215560_100000210174 [0,1,0,0,0,0|3,0,0]=4 258 B10R1.14 O=C(CO)N1CC[C@@H](C1)F 240690a_100015203821_100000210174 [0,1,0,0,0,0|3,0,0]=4 259 B10R1.14 O=C(CO)N1CC[C@@H](C1)F 527a_100015203821_100000210174 [0,1,0,0,0,0|3,0,0]=4 260 B10R1.23 C=C(C)C(=O)C1CCCC1 1458a_100000185857_100000179811 [0,1,0,0,0,0|1,0,2]=4 261 B10R1.23 CC(C)C(=O)C1=CCCC1 1458a_100000038896_100000210206 [0,1,0,0,0,0|1,0,0]=2 262 B10R1.23 CC(C)C(=O)C1=CCOC1 1458a_100000139269_100000210206 [0,1,0,0,0,0|2,0,0]=3 263 B10R1.23 CC(C)C(=O)C1=COCC1 1458a_100000750620_100000210206 [0,1,0,0,0,0|2,0,0]=3 264 B10R1.23 CC(C)C(=O)C1CCCC1 1458a_100000210198_100000179811 [0,1,0,0,0,0|1,0,1]=3 265 B10R1.23 CC(C)C(=O)C1CCCC1 1458a_100000210718_100000210206 [0,1,0,0,0,0|1,0,1]=3 266 B10R1.23 CC(C)C(=O)C1CCCS1 1458a_100012002731_100000210206 [0,1,0,0,0,0|1,0,1]=3 267 B10R1.23 CC(C)C(=O)C1CCOC1 1458a_100000210198_100000690089 [0,1,0,0,0,0|2,0,1]=4 268 B10R1.23 CC(C)C(=O)C1CCOC1 1458a_100011219752_100000210206 [0,1,0,0,0,0|2,0,1]=4 269 B10R1.23 CC(C)C(=O)N1CCCC1 240690a_100000188435_100000210198 [0,1,0,0,0,0|2,0,0]=3 270 B10R1.23 CC(C)C(=O)N1CCCC1 527a_100000188435_100000210198 [0,1,0,0,0,0|2,0,0]=3 271 B10R1.23 CC(C)C(=O)N1CCSC1 11a_100011215254_100000210198 [0,1,0,0,0,0|3,0,0]=4 272 B10R1.23 CC(C)C(=O)N1CCSC1 240690a_100011215254_100000210198 [0,1,0,0,0,0|3,0,0]=4 273 B10R1.23 CC(C)C(=O)N1CCSC1 527a_100011215254_100000210198 [0,1,0,0,0,0|3,0,0]=4 274 B10R1.23 CC(C)C(=O)[C@@H]1CCCO1 1458a_100000686382_100000210206 [0,1,0,0,0,0|1,0,1]=3 275 B10R1.23 CC(F)C(=O)C1CCCC1 1458a_100000062450_100000179811 [0,1,0,0,0,0|1,0,1]=3 276 B10R1.23 CC(F)C(=O)C1CCOC1 1458a_100000062450_100000690089 [0,1,0,0,0,0|2,0,1]=4 277 B10R1.23 CC(F)C(=O)N1CCCC1 240690a_100000188435_100000062450 [0,1,0,0,0,0|2,0,0]=3 278 B10R1.23 CC(F)C(=O)N1CCCC1 527a_100000188435_100000062450 [0,1,0,0,0,0|2,0,0]=3 279 B10R1.23 CC(F)C(=O)N1CCSC1 11a_100011215254_100000062450 [0,1,0,0,0,0|3,0,0]=4 280 B10R1.23 CC(F)C(=O)N1CCSC1 240690a_100011215254_100000062450 [0,1,0,0,0,0|3,0,0]=4 281 B10R1.23 CC(F)C(=O)N1CCSC1 527a_100011215254_100000062450 [0,1,0,0,0,0|3,0,0]=4 282 B10R1.23 CN(C)C(=O)C1=CCCC1 11a_100102631434_100000038896 [0,1,0,0,0,0|2,0,0]=3 283 B10R1.23 CN(C)C(=O)C1=CCCC1 1626a_100102631434_100000038896 [0,1,0,0,0,0|2,0,0]=3 284 B10R1.23 CN(C)C(=O)C1=CCCC1 240690a_100102631434_100000038896 [0,1,0,0,0,0|2,0,0]=3 285 B10R1.23 CN(C)C(=O)C1=CCOC1 11a_100102631434_100000139269 [0,1,0,0,0,0|3,0,0]=4 286 B10R1.23 CN(C)C(=O)C1=CCOC1 1626a_100102631434_100000139269 [0,1,0,0,0,0|3,0,0]=4 287 B10R1.23 CN(C)C(=O)C1=CCOC1 240690a_100102631434_100000139269 [0,1,0,0,0,0|3,0,0]=4 288 B10R1.23 CN(C)C(=O)C1=COCC1 1626a_100102631434_100000750620 [0,1,0,0,0,0|3,0,0]=4 289 B10R1.23 CN(C)C(=O)C1=COCC1 240690a_100102631434_100000750620 [0,1,0,0,0,0|3,0,0]=4 290 B10R1.23 CN(C)C(=O)C1CCCC1 11a_100102631434_100000210718 [0,1,0,0,0,0|2,0,1]=4 291 B10R1.23 CN(C)C(=O)C1CCCC1 1626a_100102631434_100000210718 [0,1,0,0,0,0|2,0,1]=4 292 B10R1.23 CN(C)C(=O)C1CCCC1 240690a_100102631434_100000210718 [0,1,0,0,0,0|2,0,1]=4 293 B10R1.23 CN(C)C(=O)C1CCCC1 527a_100102631434_100000210718 [0,1,0,0,0,0|2,0,1]=4 294 B10R1.23 CN(C)C(=O)C1CCCS1 11a_100102631434_100012002731 [0,1,0,0,0,0|2,0,1]=4 295 B10R1.23 CN(C)C(=O)C1CCCS1 1626a_100102631434_100012002731 [0,1,0,0,0,0|2,0,1]=4 296 B10R1.23 CN(C)C(=O)C1CCCS1 240690a_100102631434_100012002731 [0,1,0,0,0,0|2,0,1]=4 297 B10R1.23 CN(C)C(=O)C1CCCS1 527a_100102631434_100012002731 [0,1,0,0,0,0|2,0,1]=4 298 B10R1.23 CN(C)C(=O)[C@@H]1CCCO1 11a_100102631434_100000686382 [0,1,0,0,0,0|2,0,1]=4 299 B10R1.23 CN(C)C(=O)[C@@H]1CCCO1 1626a_100102631434_100000686382 [0,1,0,0,0,0|2,0,1]=4 300 B10R1.23 CN(C)C(=O)[C@@H]1CCCO1 240690a_100102631434_100000686382 [0,1,0,0,0,0|2,0,1]=4 301 B10R1.23 CN(C)C(=O)[C@@H]1CCCO1 527a_100102631434_100000686382 [0,1,0,0,0,0|2,0,1]=4 302 B10R1.23 C[C@@H](O)C(=O)C1CCCC1 1458a_100000717761_100000179811 [0,1,0,0,0,0|1,0,1]=3 303 B10R1.23 C[C@@H](O)C(=O)C1CCOC1 1458a_100000717761_100000690089 [0,1,0,0,0,0|2,0,1]=4 304 B10R1.23 C[C@@H](O)C(=O)N1CCCC1 240690a_100000188435_100000717761 [0,1,0,0,0,0|2,0,0]=3 305 B10R1.23 C[C@@H](O)C(=O)N1CCSC1 240690a_100011215254_100000717761 [0,1,0,0,0,0|3,0,0]=4 306 B10R1.23 C[C@H](O)C(=O)C1CCCC1 1458a_217856618621_100000179811 [0,1,0,0,0,0|1,0,1]=3 307 B10R1.23 C[C@H](O)C(=O)C1CCOC1 1458a_217856618621_100000690089 [0,1,0,0,0,0|2,0,1]=4 308 B10R1.23 C[C@H](O)C(=O)N1CCCC1 240690a_100000188435_217856618621 [0,1,0,0,0,0|2,0,0]=3 309 B10R1.23 C[C@H](O)C(=O)N1CCSC1 240690a_100011215254_217856618621 [0,1,0,0,0,0|3,0,0]=4 310 B10R1.23 O=C(C(F)F)N1CCCC1 240690a_100000188435_100000210393 [0,1,0,0,0,0|3,0,0]=4 311 B10R1.23 O=C(C(F)F)N1CCCC1 527a_100000188435_100000210393 [0,1,0,0,0,0|3,0,0]=4 312 B10R1.23 O=C(C(O)O)C1CCCC1 1458a_100000233687_100000179811 [0,1,0,0,0,0|2,0,1]=4 313 B10R1.23 O=C(C(O)O)N1CCCC1 240690a_100000188435_100000233687 [0,1,0,0,0,0|3,0,0]=4 314 B10R1.149 CC1CCCC1C(=O)CF 1458a_100000690547_100015361967 [0,1,0,0,0,0|2,0,1]=4 315 B10R1.149 CCC(=O)C1CCCC1=O 1458a_100000210414_100000211823 [0,1,0,0,0,0|1,0,1]=3 316 B10R1.149 CCC(=O)C1CCCC1C 1458a_100000690547_100000210202 [0,1,0,0,0,0|1,0,1]=3 317 B10R1.149 CCC(=O)C1CCOC1=O 1458a_100000210414_100000211211 [0,1,0,0,0,0|2,0,1]=4 318 B10R1.149 CCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210414 [0,1,0,0,0,0|2,0,0]=3 319 B10R1.149 CCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210414 [0,1,0,0,0,0|2,0,0]=3 320 B10R1.149 CCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210414 [0,1,0,0,0,0|2,0,0]=3 321 B10R1.149 CCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210414 [0,1,0,0,0,0|2,0,0]=3 322 B10R1.149 CCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210414 [0,1,0,0,0,0|2,0,0]=3 323 B10R1.149 CCC(=O)N1CCSC1C 11a_200011216479_100000210414 [0,1,0,0,0,0|3,0,0]=4 324 B10R1.149 CCC(=O)N1CCSC1C 1626a_200011216479_100000210414 [0,1,0,0,0,0|3,0,0]=4 325 B10R1.149 CCC(=O)N1CCSC1C 240690a_200011216479_100000210414 [0,1,0,0,0,0|3,0,0]=4 326 B10R1.149 CCC(=O)N1CCSC1C 527a_200011216479_100000210414 [0,1,0,0,0,0|3,0,0]=4 327 B10R1.149 CCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210202 [0,1,0,0,0,0|0,0,2]=3 328 B10R1.149 CN1CCC[C@H]1C(=O)CF 1458a_100009816429_100015361967 [0,1,0,0,0,0|1,0,2]=4 329 B10R1.149 CNC(=O)C1CCCC1C 11a_106832991635_100000690547 [0,1,0,0,0,0|2,0,1]=4 330 B10R1.149 CNC(=O)C1CCCC1C 1626a_100102657272_100000690547 [0,1,0,0,0,0|2,0,1]=4 331 B10R1.149 CNC(=O)C1CCCC1C 240690a_100102657272_100000690547 [0,1,0,0,0,0|2,0,1]=4 332 B10R1.149 CNC(=O)C1CCCC1C 527a_100102657272_100000690547 [0,1,0,0,0,0|2,0,1]=4 333 B10R1.149 CNC(=O)N1CCC[C@@H]1C 2708a_100102657272_100020605311 [0,1,0,0,0,0|3,0,0]=4 334 B10R1.149 CNC(=O)N1CCC[C@@H]1C 273464a_100102657272_100020605311 [0,1,0,0,0,0|3,0,0]=4 335 B10R1.149 CNC(=O)N1CCC[C@H]1C 2708a_100102657272_100015189458 [0,1,0,0,0,0|3,0,0]=4 336 B10R1.149 CNC(=O)N1CCC[C@H]1C 273464a_100102657272_100015189458 [0,1,0,0,0,0|3,0,0]=4 337 B10R1.149 CNC(=O)[C@@H]1CCCN1C 11a_106832991635_100009816429 [0,1,0,0,0,0|1,0,2]=4 338 B10R1.149 CNC(=O)[C@@H]1CCCN1C 2230a_100015185040_200000210301 [0,1,0,0,0,0|1,0,2]=4 339 B10R1.149 CNC(=O)[C@@H]1CCCN1C 240690a_100102657272_100009816429 [0,1,0,0,0,0|1,0,2]=4 340 B10R1.149 CNC(=O)[C@@H]1CCCN1C 269982a_100015185040_200000210301 [0,1,0,0,0,0|1,0,2]=4 341 B10R1.149 CNC(=O)[C@@H]1CCCN1C 34a_100015185040_200000210301 [0,1,0,0,0,0|1,0,2]=4 342 B10R1.149 CNC(=O)[C@@H]1CCCN1C 527a_100102657272_100009816429 [0,1,0,0,0,0|1,0,2]=4 343 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 2230a_100015185040_200025704644 [0,1,0,0,0,0|1,0,2]=4 344 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 269982a_100015185040_200025704644 [0,1,0,0,0,0|1,0,2]=4 345 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 34a_100015185040_200025704644 [0,1,0,0,0,0|1,0,2]=4 346 B10R1.149 COC(=O)[C@@H]1CCCN1C 2230a_100000752040_200000210301 [0,1,0,0,0,0|1,0,2]=4 347 B10R1.149 COC(=O)[C@@H]1CCCN1C 269982a_100000752040_200000210301 [0,1,0,0,0,0|1,0,2]=4 348 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000752040_200025704644 [0,1,0,0,0,0|1,0,2]=4 349 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000752040_200025704644 [0,1,0,0,0,0|1,0,2]=4 350 B10R1.149 C[C@@H]1CCCN1C(=O)CO 240690a_100015189458_100000210174 [0,1,0,0,0,0|3,0,0]=4 351 B10R1.149 C[C@@H]1CCCN1C(=O)CO 527a_100015189458_100000210174 [0,1,0,0,0,0|3,0,0]=4 352 B10R1.149 C[C@H]1CCCN1C(=O)CO 240690a_100020605311_100000210174 [0,1,0,0,0,0|3,0,0]=4 353 B10R1.149 C[C@H]1CCCN1C(=O)CO 527a_100020605311_100000210174 [0,1,0,0,0,0|3,0,0]=4 354 B10R1.149 O=C(CO)C1CCCC1=O 1458a_100000210174_100000211823 [0,1,0,0,0,0|2,0,1]=4 355 B10R1.411 CC1(CCCC1)C(=O)CF 1458a_100000239728_100015361967 [0,1,0,0,0,0|2,0,1]=4 356 B10R1.411 CC1(CCCO1)C(=O)CF 1458a_100000684770_100015361967 [0,1,0,0,0,0|2,0,1]=4 357 B10R1.411 CCC(=O)C1(CCCC1)C 1458a_100000239728_100000210202 [0,1,0,0,0,0|1,0,1]=3 358 B10R1.411 CCC(=O)C1(CCCC1)O 1458a_100000242637_100000210202 [0,1,0,0,0,0|1,0,1]=3 359 B10R1.411 CCC(=O)C1(CCCO1)C 1458a_100000684770_100000210202 [0,1,0,0,0,0|1,0,1]=3 360 B10R1.411 CNC(=O)C1(CCCC1)C 11a_106832991635_100000239728 [0,1,0,0,0,0|2,0,1]=4 361 B10R1.411 CNC(=O)C1(CCCC1)C 1626a_100102657272_100000239728 [0,1,0,0,0,0|2,0,1]=4 362 B10R1.411 CNC(=O)C1(CCCC1)C 240690a_100102657272_100000239728 [0,1,0,0,0,0|2,0,1]=4 363 B10R1.411 CNC(=O)C1(CCCC1)C 527a_100102657272_100000239728 [0,1,0,0,0,0|2,0,1]=4 364 B10R1.411 CNC(=O)C1(CCCC1)O 240690a_100102657272_100000242637 [0,1,0,0,0,0|2,0,1]=4 365 B10R1.411 CNC(=O)C1(CCCC1)O 527a_100102657272_100000242637 [0,1,0,0,0,0|2,0,1]=4 366 B10R1.411 CNC(=O)C1(CCCO1)C 11a_106832991635_100000684770 [0,1,0,0,0,0|2,0,1]=4 367 B10R1.411 CNC(=O)C1(CCCO1)C 1626a_100102657272_100000684770 [0,1,0,0,0,0|2,0,1]=4 368 B10R1.411 CNC(=O)C1(CCCO1)C 240690a_100102657272_100000684770 [0,1,0,0,0,0|2,0,1]=4 369 B10R1.411 CNC(=O)C1(CCCO1)C 527a_100102657272_100000684770 [0,1,0,0,0,0|2,0,1]=4 370 B10R1.411 O=C(CF)C1(CCCC1)O 1458a_100000242637_100015361967 [0,1,0,0,0,0|2,0,1]=4 371 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [0,0,1,0,0,0|2,0,1]=4 372 B8R0.3 C=C(CNC)C(=O)OC 34a_100102657272_100009813391 [0,0,1,0,0,0|3,0,0]=4 373 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [0,0,1,0,0,0|3,0,0]=4 374 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [0,0,1,0,0,0|3,0,0]=4 375 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [0,0,1,0,0,0|3,0,0]=4 376 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [0,0,1,0,0,0|3,0,0]=4 377 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [0,0,1,0,0,0|3,0,0]=4 378 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [0,0,1,0,0,0|1,0,0]=2 379 B8R0.3 CC/C=C(\C)/C(=O)CF 1458a_100016988807_100015361967 [0,0,1,0,0,0|2,0,0]=3 380 B8R0.3 CC/C=C(\C)/C(=O)NC 11a_106832991635_100016988807 [0,0,1,0,0,0|2,0,0]=3 381 B8R0.3 CC/C=C(\C)/C(=O)NC 1626a_100102657272_100016988807 [0,0,1,0,0,0|2,0,0]=3 382 B8R0.3 CC/C=C(\C)/C(=O)NC 240690a_100102657272_100016988807 [0,0,1,0,0,0|2,0,0]=3 383 B8R0.3 CC/C=C(\C)/C(=O)NC 527a_100102657272_100016988807 [0,0,1,0,0,0|2,0,0]=3 384 B8R0.3 CCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210202 [0,0,1,0,0,0|1,0,0]=2 385 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [0,0,1,0,0,0|2,0,1]=4 386 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [0,0,1,0,0,0|2,0,1]=4 387 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [0,0,1,0,0,0|2,0,1]=4 388 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [0,0,1,0,0,0|2,0,1]=4 389 B8R0.3 CCC(=O)C(C)SCF 62a_100000742827_100015361967 [0,0,1,0,0,0|2,0,1]=4 390 B8R0.3 CCC(=O)C(C)SCF 62a_100015361967_100000742827 [0,0,1,0,0,0|2,0,1]=4 391 B8R0.3 CCC(=O)N(C)CCO 240690a_100000210263_100000210414 [0,0,1,0,0,0|3,0,0]=4 392 B8R0.3 CCC(=O)N(C)CCO 527a_100000210263_100000210414 [0,0,1,0,0,0|3,0,0]=4 393 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,0,1,0,0,0|2,0,0]=3 394 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [0,0,1,0,0,0|2,0,1]=4 395 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [0,0,1,0,0,0|2,0,1]=4 396 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [0,0,1,0,0,0|1,0,2]=4 397 B8R0.3 CCCC(=O)N(C)CC 11a_100000225621_100000211992 [0,0,1,0,0,0|3,0,0]=4 398 B8R0.3 CCCC(=O)N(C)CC 1626a_100000225621_100000211992 [0,0,1,0,0,0|3,0,0]=4 399 B8R0.3 CCCC(=O)N(C)CC 240690a_100000225621_100000211992 [0,0,1,0,0,0|3,0,0]=4 400 B8R0.3 CCCC(=O)N(C)CC 527a_100000225621_100000211992 [0,0,1,0,0,0|3,0,0]=4 401 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,0,1,0,0,0|1,0,1]=3 402 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,0,1,0,0,0|1,0,1]=3 403 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [0,0,1,0,0,0|2,0,1]=4 404 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,0,1,0,0,0|2,0,1]=4 405 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [0,0,1,0,0,0|2,0,1]=4 406 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [0,0,1,0,0,0|2,0,1]=4 407 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [0,0,1,0,0,0|2,0,1]=4 408 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [0,0,1,0,0,0|2,0,1]=4 409 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [0,0,1,0,0,0|2,0,0]=3 410 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [0,0,1,0,0,0|2,0,0]=3 411 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [0,0,1,0,0,0|2,0,0]=3 412 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [0,0,1,0,0,0|2,0,0]=3 413 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [0,0,1,0,0,0|3,0,0]=4 414 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [0,0,1,0,0,0|3,0,0]=4 415 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [0,0,1,0,0,0|3,0,0]=4 416 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [0,0,1,0,0,0|3,0,0]=4 417 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,0,1,0,0,0|1,0,1]=3 418 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [0,0,1,0,0,0|2,0,1]=4 419 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [0,0,1,0,0,0|2,0,1]=4 420 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,0,1,0,0,0|1,0,1]=3 421 B8R0.3 CCNC(=O)C(=O)CF 1458a_200011297158_100015361967 [0,0,1,0,0,0|2,0,1]=4 422 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [0,0,1,0,0,0|2,0,1]=4 423 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [0,0,1,0,0,0|2,0,1]=4 424 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [0,0,1,0,0,0|2,0,1]=4 425 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [0,0,1,0,0,0|2,0,1]=4 426 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [0,0,1,0,0,0|2,0,1]=4 427 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,0,1,0,0,0|2,0,1]=4 428 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,0,1,0,0,0|2,0,1]=4 429 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,0,1,0,0,0|2,0,1]=4 430 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [0,0,1,0,0,0|0,0,2]=3 431 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [0,0,1,0,0,0|1,0,2]=4 432 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [0,0,1,0,0,0|1,0,2]=4 433 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [0,0,1,0,0,0|1,0,2]=4 434 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [0,0,1,0,0,0|1,0,2]=4 435 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [0,0,1,0,0,0|3,0,0]=4 436 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [0,0,1,0,0,0|3,0,0]=4 437 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [0,0,1,0,0,0|3,0,0]=4 438 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,0,1,0,0,0|1,0,1]=3 439 B8R0.3 CCOC(C)C(=O)CF 1458a_100000739345_100015361967 [0,0,1,0,0,0|2,0,1]=4 440 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [0,0,1,0,0,0|2,0,1]=4 441 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [0,0,1,0,0,0|2,0,1]=4 442 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [0,0,1,0,0,0|2,0,1]=4 443 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [0,0,1,0,0,0|2,0,1]=4 444 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [0,0,1,0,0,0|2,0,1]=4 445 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [0,0,1,0,0,0|2,0,1]=4 446 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [0,0,1,0,0,0|2,0,1]=4 447 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [0,0,1,0,0,0|1,0,1]=3 448 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [0,0,1,0,0,0|1,0,1]=3 449 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [0,0,1,0,0,0|1,0,1]=3 450 B8R0.3 CCSC(C)C(=O)CF 1458a_100000230601_100015361967 [0,0,1,0,0,0|2,0,1]=4 451 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [0,0,1,0,0,0|2,0,1]=4 452 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [0,0,1,0,0,0|2,0,1]=4 453 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [0,0,1,0,0,0|2,0,1]=4 454 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [0,0,1,0,0,0|2,0,1]=4 455 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [0,0,1,0,0,0|2,0,1]=4 456 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [0,0,1,0,0,0|2,0,1]=4 457 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [0,0,1,0,0,0|2,0,1]=4 458 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [0,0,1,0,0,0|2,0,1]=4 459 B8R0.3 CNC(=O)/C(=N/OC)/C 11a_106832991635_100160996864 [0,0,1,0,0,0|2,0,0]=3 460 B8R0.3 CNC(=O)/C(=N/OC)/C 240690a_100102657272_100160996864 [0,0,1,0,0,0|2,0,0]=3 461 B8R0.3 CNC(=O)C(=O)CCF 1458a_100011218921_100011217306 [0,0,1,0,0,0|3,0,0]=4 462 B8R0.3 CNC(=O)C(=O)CCO 1458a_100011218921_100000211926 [0,0,1,0,0,0|3,0,0]=4 463 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [0,0,1,0,0,0|3,0,0]=4 464 B8R0.3 CO/N=C(\C)/C(=O)CF 1458a_100160996864_100015361967 [0,0,1,0,0,0|2,0,0]=3 465 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [0,0,1,0,0,0|3,0,0]=4 466 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [0,0,1,0,0,0|3,0,0]=4 467 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [0,0,1,0,0,0|3,0,0]=4 468 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [0,0,1,0,0,0|3,0,0]=4 469 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [0,0,1,0,0,0|3,0,0]=4 470 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [0,0,1,0,0,0|1,0,2]=4 471 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [0,0,1,0,0,0|1,0,2]=4 472 B8R0.6 C#CCCNC(=O)CC 11a_100000755551_100000210414 [0,0,1,0,0,0|2,0,1]=4 473 B8R0.6 C#CCCNC(=O)CC 1626a_100000755551_100000210414 [0,0,1,0,0,0|2,0,1]=4 474 B8R0.6 C#CCCNC(=O)CC 240690a_100000755551_100000210414 [0,0,1,0,0,0|2,0,1]=4 475 B8R0.6 C#CCCNC(=O)CC 527a_100000755551_100000210414 [0,0,1,0,0,0|2,0,1]=4 476 B8R0.6 C/C=C(\C)/C=NNCC 4a_100000756455_100020587592 [0,0,1,0,0,0|2,0,1]=4 477 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [0,0,1,0,0,0|1,0,2]=4 478 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [0,0,1,0,0,0|1,0,2]=4 479 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [0,0,1,0,0,0|1,0,2]=4 480 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [0,0,1,0,0,0|2,0,1]=4 481 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [0,0,1,0,0,0|2,0,1]=4 482 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [0,0,1,0,0,0|2,0,1]=4 483 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [0,0,1,0,0,0|2,0,1]=4 484 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [0,0,1,0,0,0|1,0,2]=4 485 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [0,0,1,0,0,0|1,0,2]=4 486 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [0,0,1,0,0,0|1,0,2]=4 487 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [0,0,1,0,0,0|2,0,0]=3 488 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [0,0,1,0,0,0|0,0,3]=4 489 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [0,0,1,0,0,0|0,0,3]=4 490 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [0,0,1,0,0,0|1,0,1]=3 491 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,0,1,0,0,0|1,0,1]=3 492 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,0,1,0,0,0|1,0,1]=3 493 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [0,0,1,0,0,0|2,0,1]=4 494 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [0,0,1,0,0,0|2,0,1]=4 495 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [0,0,1,0,0,0|2,0,1]=4 496 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [0,0,1,0,0,0|2,0,1]=4 497 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [0,0,1,0,0,0|2,0,1]=4 498 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [0,0,1,0,0,0|2,0,1]=4 499 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [0,0,1,0,0,0|2,0,1]=4 500 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [0,0,1,0,0,0|2,0,1]=4 501 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [0,0,1,0,0,0|2,0,1]=4 502 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [0,0,1,0,0,0|2,0,1]=4 503 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [0,0,1,0,0,0|2,0,1]=4 504 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [0,0,1,0,0,0|2,0,1]=4 505 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [0,0,1,0,0,0|2,0,1]=4 506 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [0,0,1,0,0,0|2,0,1]=4 507 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [0,0,1,0,0,0|2,0,1]=4 508 B8R0.6 CCC(=O)NCCC#N 11a_100000720768_100000210414 [0,0,1,0,0,0|1,0,2]=4 509 B8R0.6 CCC(=O)NCCC#N 1626a_100000720768_100000210414 [0,0,1,0,0,0|1,0,2]=4 510 B8R0.6 CCC(=O)NCCC#N 240690a_100000720768_100000210414 [0,0,1,0,0,0|1,0,2]=4 511 B8R0.6 CCC(=O)NCCC#N 527a_100000720768_100000210414 [0,0,1,0,0,0|1,0,2]=4 512 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [0,0,1,0,0,0|2,0,0]=3 513 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [0,0,1,0,0,0|2,0,0]=3 514 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [0,0,1,0,0,0|2,0,0]=3 515 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [0,0,1,0,0,0|2,0,0]=3 516 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [0,0,1,0,0,0|2,0,0]=3 517 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [0,0,1,0,0,0|2,0,0]=3 518 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [0,0,1,0,0,0|3,0,0]=4 519 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [0,0,1,0,0,0|3,0,0]=4 520 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [0,0,1,0,0,0|3,0,0]=4 521 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [0,0,1,0,0,0|3,0,0]=4 522 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [0,0,1,0,0,0|3,0,0]=4 523 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [0,0,1,0,0,0|3,0,0]=4 524 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [0,0,1,0,0,0|3,0,0]=4 525 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [0,0,1,0,0,0|3,0,0]=4 526 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [0,0,1,0,0,0|3,0,0]=4 527 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [0,0,1,0,0,0|3,0,0]=4 528 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [0,0,1,0,0,0|3,0,0]=4 529 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [0,0,1,0,0,0|3,0,0]=4 530 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [0,0,1,0,0,0|3,0,0]=4 531 B8R0.6 CCC(=O)NNCCO 22a_100000210001_100000210414 [0,0,1,0,0,0|2,0,1]=4 532 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [0,0,1,0,0,0|3,0,0]=4 533 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [0,0,1,0,0,0|3,0,0]=4 534 B8R0.6 CCC=NNC(=O)CC 4a_100000183195_100000210100 [0,0,1,0,0,0|1,0,1]=3 535 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [0,0,1,0,0,0|1,0,1]=3 536 B8R0.6 CCCC#CC(=O)CF 1458a_200011218047_100015361967 [0,0,1,0,0,0|2,0,1]=4 537 B8R0.6 CCCC#CC(=O)NC 240690a_100102657272_200011218047 [0,0,1,0,0,0|2,0,1]=4 538 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,0,1,0,0,0|1,0,0]=2 539 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [0,0,1,0,0,0|2,0,0]=3 540 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [0,0,1,0,0,0|2,0,0]=3 541 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [0,0,1,0,0,0|2,0,0]=3 542 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [0,0,1,0,0,0|2,0,0]=3 543 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,0,1,0,0,0|1,0,1]=3 544 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,0,1,0,0,0|1,0,1]=3 545 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [0,0,1,0,0,0|2,0,1]=4 546 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,0,1,0,0,0|2,0,1]=4 547 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [0,0,1,0,0,0|2,0,1]=4 548 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [0,0,1,0,0,0|2,0,1]=4 549 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [0,0,1,0,0,0|2,0,1]=4 550 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [0,0,1,0,0,0|2,0,1]=4 551 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [0,0,1,0,0,0|2,0,0]=3 552 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [0,0,1,0,0,0|2,0,0]=3 553 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [0,0,1,0,0,0|2,0,0]=3 554 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [0,0,1,0,0,0|2,0,0]=3 555 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,0,1,0,0,0|3,0,0]=4 556 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,0,1,0,0,0|3,0,0]=4 557 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [0,0,1,0,0,0|3,0,0]=4 558 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [0,0,1,0,0,0|3,0,0]=4 559 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [0,0,1,0,0,0|3,0,0]=4 560 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [0,0,1,0,0,0|3,0,0]=4 561 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [0,0,1,0,0,0|3,0,0]=4 562 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [0,0,1,0,0,0|3,0,0]=4 563 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [0,0,1,0,0,0|1,0,2]=4 564 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [0,0,1,0,0,0|1,0,1]=3 565 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [0,0,1,0,0,0|2,0,1]=4 566 B8R0.6 CCCNNC(=O)NC 273464a_100102657272_100000740057 [0,0,1,0,0,0|2,0,1]=4 567 B8R0.6 CCCNNC(=O)NC 512a_100000740057_100102657272 [0,0,1,0,0,0|2,0,1]=4 568 B8R0.6 CCCNNC(=O)NC 512a_106832991638_100000740057 [0,0,1,0,0,0|2,0,1]=4 569 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,0,1,0,0,0|1,0,1]=3 570 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,0,1,0,0,0|1,0,1]=3 571 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [0,0,1,0,0,0|2,0,1]=4 572 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [0,0,1,0,0,0|2,0,1]=4 573 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [0,0,1,0,0,0|2,0,1]=4 574 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [0,0,1,0,0,0|2,0,1]=4 575 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [0,0,1,0,0,0|2,0,1]=4 576 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [0,0,1,0,0,0|2,0,1]=4 577 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [0,0,1,0,0,0|2,0,1]=4 578 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [0,0,1,0,0,0|2,0,1]=4 579 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,0,1,0,0,0|1,0,1]=3 580 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,0,1,0,0,0|1,0,1]=3 581 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,0,1,0,0,0|1,0,1]=3 582 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [0,0,1,0,0,0|2,0,1]=4 583 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [0,0,1,0,0,0|2,0,1]=4 584 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [0,0,1,0,0,0|2,0,1]=4 585 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [0,0,1,0,0,0|2,0,1]=4 586 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [0,0,1,0,0,0|2,0,1]=4 587 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [0,0,1,0,0,0|2,0,1]=4 588 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [0,0,1,0,0,0|2,0,1]=4 589 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,0,1,0,0,0|2,0,1]=4 590 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,0,1,0,0,0|2,0,1]=4 591 B8R0.6 CCNN=CC(=O)OC 4a_100000756455_200011823558 [0,0,1,0,0,0|2,0,0]=3 592 B8R0.6 CCNN=CC(C)CC 4a_100000756455_100000243153 [0,0,1,0,0,0|2,0,1]=4 593 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [0,0,1,0,0,0|2,0,0]=3 594 B8R0.6 CCOC=CC(=O)CF 1458a_100016266692_100015361967 [0,0,1,0,0,0|3,0,0]=4 595 B8R0.6 CCOC=CC(=O)NC 11a_106832991635_100016266692 [0,0,1,0,0,0|3,0,0]=4 596 B8R0.6 CCOC=CC(=O)NC 1626a_100102657272_100016266692 [0,0,1,0,0,0|3,0,0]=4 597 B8R0.6 CCOC=CC(=O)NC 240690a_100102657272_100016266692 [0,0,1,0,0,0|3,0,0]=4 598 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [0,0,1,0,0,0|2,0,1]=4 599 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [0,0,1,0,0,0|2,0,1]=4 600 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [0,0,1,0,0,0|2,0,1]=4 601 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [0,0,1,0,0,0|2,0,1]=4 602 B8R0.6 CNC(=O)C=CCOC 11a_106832991635_100016285016 [0,0,1,0,0,0|3,0,0]=4 603 B8R0.6 CNC(=O)C=CCOC 1626a_100102657272_100016285016 [0,0,1,0,0,0|3,0,0]=4 604 B8R0.6 CNC(=O)C=CCOC 240690a_100102657272_100016285016 [0,0,1,0,0,0|3,0,0]=4 605 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [0,0,1,0,0,0|2,0,1]=4 606 B8R0.6 CNC(=O)NCCCF 2708a_100015189416_106832991635 [0,0,1,0,0,0|3,0,0]=4 607 B8R0.6 CNC(=O)NCCCF 2708a_100102657272_100015189416 [0,0,1,0,0,0|3,0,0]=4 608 B8R0.6 CNC(=O)NCCCF 273464a_100015189416_100102657272 [0,0,1,0,0,0|3,0,0]=4 609 B8R0.6 CNC(=O)NCCCF 273464a_100102657272_100015189416 [0,0,1,0,0,0|3,0,0]=4 610 B8R0.6 CNC(=O)NCCCF 512a_100015189416_100102657272 [0,0,1,0,0,0|3,0,0]=4 611 B8R0.6 CNC(=O)NCCCF 512a_106832991638_100015189416 [0,0,1,0,0,0|3,0,0]=4 612 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [0,0,1,0,0,0|3,0,0]=4 613 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [0,0,1,0,0,0|3,0,0]=4 614 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [0,0,1,0,0,0|3,0,0]=4 615 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [0,0,1,0,0,0|3,0,0]=4 616 B8R0.6 CNC/C=C/C(=O)OC 2230a_106832991635_100000742655 [0,0,1,0,0,0|3,0,0]=4 617 B8R0.6 CNC/C=C/C(=O)OC 34a_100102657272_100000742655 [0,0,1,0,0,0|3,0,0]=4 618 B8R0.6 CNC/C=C/C(=O)OC 7a_106832991635_100000742655 [0,0,1,0,0,0|3,0,0]=4 619 B8R0.6 COC(=O)/C=C/CSC 62a_100000742655_200000210301 [0,0,1,0,0,0|3,0,0]=4 620 B8R0.6 COC(=O)/C=C/CSC 62a_200000210301_100000742655 [0,0,1,0,0,0|3,0,0]=4 621 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_100000742655_200025704644 [0,0,1,0,0,0|3,0,0]=4 622 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_200025704644_100000742655 [0,0,1,0,0,0|3,0,0]=4 623 B8R0.6 COC/C=C/C(=O)OC 34a_100138415774_100000742655 [0,0,1,0,0,0|3,0,0]=4 624 B8R0.6 COCC=CC(=O)CF 1458a_100016285016_100015361967 [0,0,1,0,0,0|3,0,0]=4 625 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [0,0,1,0,0,0|2,0,1]=4 626 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [0,0,1,0,0,0|2,0,1]=4 627 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,0,1,0,0,0|2,0,1]=4 628 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [0,0,1,0,0,0|3,0,0]=4 629 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [0,0,1,0,0,0|3,0,0]=4 630 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [0,0,1,0,0,0|3,0,0]=4 631 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [0,0,1,0,0,0|3,0,0]=4 632 B8R0.20 CCC(=O)C(CC)CC 1458a_100000210414_100000210505 [0,0,1,0,0,0|1,0,1]=3 633 B8R0.20 CCC(=O)C(CC)CC 1458a_100000211163_100000210202 [0,0,1,0,0,0|1,0,1]=3 634 B8R0.20 CCC(=O)C(CC)OC 1458a_100000747056_100000210202 [0,0,1,0,0,0|1,0,1]=3 635 B8R0.20 CCC(=O)C(CC)OC 34a_200011218131_200000210301 [0,0,1,0,0,0|1,0,1]=3 636 B8R0.20 CCC(=O)C(CC)OC 7a_200011218131_200000210301 [0,0,1,0,0,0|1,0,1]=3 637 B8R0.20 CCC(=O)C(CC)O[13CH3] 34a_200011218131_200025704644 [0,0,1,0,0,0|1,0,1]=3 638 B8R0.20 CCC(=O)C(CC)O[13CH3] 7a_200011218131_200025704644 [0,0,1,0,0,0|1,0,1]=3 639 B8R0.20 CCC(=O)C(OC)OC 1458a_100000046285_100000210202 [0,0,1,0,0,0|2,0,1]=4 640 B8R0.20 CCC(=O)N(CC)CC 11a_100000724800_100000210414 [0,0,1,0,0,0|2,0,0]=3 641 B8R0.20 CCC(=O)N(CC)CC 1626a_100000724800_100000210414 [0,0,1,0,0,0|2,0,0]=3 642 B8R0.20 CCC(=O)N(CC)CC 240690a_100000724800_100000210414 [0,0,1,0,0,0|2,0,0]=3 643 B8R0.20 CCC(=O)N(CC)CC 527a_100000724800_100000210414 [0,0,1,0,0,0|2,0,0]=3 644 B8R0.20 CCC(CC)C(=O)CF 1458a_100000211163_100015361967 [0,0,1,0,0,0|2,0,1]=4 645 B8R0.20 CCC(CC)C(=O)CO 1458a_100000210174_100000210505 [0,0,1,0,0,0|2,0,1]=4 646 B8R0.20 CCC(CC)C(=O)NC 11a_106832991635_100000211163 [0,0,1,0,0,0|2,0,1]=4 647 B8R0.20 CCC(CC)C(=O)NC 1626a_100102657272_100000211163 [0,0,1,0,0,0|2,0,1]=4 648 B8R0.20 CCC(CC)C(=O)NC 240690a_100102657272_100000211163 [0,0,1,0,0,0|2,0,1]=4 649 B8R0.20 CCC(CC)C(=O)NC 527a_100102657272_100000211163 [0,0,1,0,0,0|2,0,1]=4 650 B8R0.20 CCC(NC)C(=O)OC 2230a_106832991635_100000235869 [0,0,1,0,0,0|1,0,2]=4 651 B8R0.20 CCC(NC)C(=O)OC 34a_100102657272_100000235869 [0,0,1,0,0,0|1,0,2]=4 652 B8R0.20 CCC(NC)C(=O)OC 7a_106832991635_100000742303 [0,0,1,0,0,0|1,0,2]=4 653 B8R0.20 CCC(OC)C(=O)CF 1458a_100000747056_100015361967 [0,0,1,0,0,0|2,0,1]=4 654 B8R0.20 CCC(OC)C(=O)NC 11a_106832991635_100000747056 [0,0,1,0,0,0|2,0,1]=4 655 B8R0.20 CCC(OC)C(=O)NC 1626a_100102657272_100000747056 [0,0,1,0,0,0|2,0,1]=4 656 B8R0.20 CCC(OC)C(=O)NC 240690a_100102657272_100000747056 [0,0,1,0,0,0|2,0,1]=4 657 B8R0.20 CCC(OC)C(=O)NC 527a_100102657272_100000747056 [0,0,1,0,0,0|2,0,1]=4 658 B8R0.20 CCC(OC)C(=O)OC 34a_100000695916_200000210301 [0,0,1,0,0,0|2,0,1]=4 659 B8R0.20 CCC(OC)C(=O)OC 34a_100138415774_100000235869 [0,0,1,0,0,0|2,0,1]=4 660 B8R0.20 CCC(OC)C(=O)OC 7a_100000695916_200000210301 [0,0,1,0,0,0|2,0,1]=4 661 B8R0.20 CCC(O[13CH3])C(=O)OC 34a_100000695916_200025704644 [0,0,1,0,0,0|2,0,1]=4 662 B8R0.20 CCC(O[13CH3])C(=O)OC 7a_100000695916_200025704644 [0,0,1,0,0,0|2,0,1]=4 663 B8R0.20 CCC(SC)C(=O)OC 62a_100000235869_200000210301 [0,0,1,0,0,0|2,0,1]=4 664 B8R0.20 CCC(SC)C(=O)OC 62a_200000210301_100000235869 [0,0,1,0,0,0|2,0,1]=4 665 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_100000235869_200025704644 [0,0,1,0,0,0|2,0,1]=4 666 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_200025704644_100000235869 [0,0,1,0,0,0|2,0,1]=4 667 B8R0.20 CCN(CC)C(=O)CO 240690a_100000724800_100000210174 [0,0,1,0,0,0|3,0,0]=4 668 B8R0.20 CCN(CC)C(=O)CO 527a_100000724800_100000210174 [0,0,1,0,0,0|3,0,0]=4 669 B8R0.20 CCN(CC)C(=O)NC 2708a_100102657272_100000724800 [0,0,1,0,0,0|3,0,0]=4 670 B8R0.20 CCN(CC)C(=O)NC 273464a_100102657272_100000724800 [0,0,1,0,0,0|3,0,0]=4 671 B8R0.20 CC[C@H](NC)C(=O)NC 2230a_106657271573_200000210301 [0,0,1,0,0,0|1,0,2]=4 672 B8R0.20 CC[C@H](NC)C(=O)NC 34a_106657271573_200000210301 [0,0,1,0,0,0|1,0,2]=4 673 B8R0.20 CC[C@H](N[13CH3])C(=O)NC 2230a_106657271573_200025704644 [0,0,1,0,0,0|1,0,2]=4 674 B8R0.20 CC[C@H](N[13CH3])C(=O)NC 34a_106657271573_200025704644 [0,0,1,0,0,0|1,0,2]=4 675 B8R1.38 C#CC(=O)C1CCC1 1458a_100000211873_100000749161 [0,0,0,0,1,0|0,0,3]=4 676 B8R1.38 C=CC(=O)C1CCC1 1458a_100000185746_100000749161 [0,0,0,0,1,0|0,0,3]=4 677 B8R1.38 C=CC(=O)N1CCC1 240690a_100000754969_200121576911 [0,0,0,0,1,0|1,0,2]=4 678 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [0,0,0,0,1,0|0,0,1]=2 679 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [0,0,0,0,1,0|0,0,1]=2 680 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [0,0,0,0,1,0|1,0,1]=3 681 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [0,0,0,0,1,0|1,0,1]=3 682 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [0,0,0,0,1,0|1,0,1]=3 683 B8R1.38 CCC(=O)N1CCC1 11a_100000754969_100000210414 [0,0,0,0,1,0|1,0,0]=2 684 B8R1.38 CCC(=O)N1CCC1 240690a_100000754969_100000210414 [0,0,0,0,1,0|1,0,0]=2 685 B8R1.38 CCC(=O)N1CCC1 527a_100000754969_100000210414 [0,0,0,0,1,0|1,0,0]=2 686 B8R1.38 CCC(C)N1CCC1 269982a_100000754969_100000758301 [0,0,0,0,1,0|2,0,1]=4 687 B8R1.38 CCN(C)C1CCC1 2230a_100000758072_100000210202 [0,0,0,0,1,0|2,0,1]=4 688 B8R1.38 CCN(C)C1CCC1 2230a_100000758130_200000210301 [0,0,0,0,1,0|2,0,1]=4 689 B8R1.38 CCN(C)C1CCC1 269982a_100000225621_100000749161 [0,0,0,0,1,0|2,0,1]=4 690 B8R1.38 CCN(C)C1CCC1 269982a_100000758072_100000204670 [0,0,0,0,1,0|2,0,1]=4 691 B8R1.38 CCN(C)C1CCC1 269982a_100000758130_200000210301 [0,0,0,0,1,0|2,0,1]=4 692 B8R1.38 CCN(C)C1CCC1 34a_100000758072_100000210202 [0,0,0,0,1,0|2,0,1]=4 693 B8R1.38 CCN([13CH3])C1CCC1 2230a_100000758130_200025704644 [0,0,0,0,1,0|2,0,1]=4 694 B8R1.38 CCN([13CH3])C1CCC1 269982a_100000758130_200025704644 [0,0,0,0,1,0|2,0,1]=4 695 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [0,0,0,0,1,0|1,0,1]=3 696 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [0,0,0,0,1,0|1,0,1]=3 697 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [0,0,0,0,1,0|1,0,1]=3 698 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [0,0,0,0,1,0|1,0,1]=3 699 B8R1.38 CNC(=O)C1CCO1 11a_106832991635_100000089072 [0,0,0,0,1,0|2,0,1]=4 700 B8R1.38 CNC(=O)C1CCO1 1626a_100102657272_100000089072 [0,0,0,0,1,0|2,0,1]=4 701 B8R1.38 CNC(=O)C1CCO1 240690a_100102657272_100000089072 [0,0,0,0,1,0|2,0,1]=4 702 B8R1.38 CNC(=O)C1CCO1 527a_100102657272_100000089072 [0,0,0,0,1,0|2,0,1]=4 703 B8R1.38 CNC(=O)C1COC1 11a_106832991635_100000758290 [0,0,0,0,1,0|2,0,1]=4 704 B8R1.38 CNC(=O)C1COC1 1626a_100102657272_100000758290 [0,0,0,0,1,0|2,0,1]=4 705 B8R1.38 CNC(=O)C1COC1 240690a_100102657272_100000758290 [0,0,0,0,1,0|2,0,1]=4 706 B8R1.38 CNC(=O)C1COC1 527a_100102657272_100000758290 [0,0,0,0,1,0|2,0,1]=4 707 B8R1.38 CNC(=O)N1CCC1 2708a_100102657272_100000754969 [0,0,0,0,1,0|2,0,0]=3 708 B8R1.38 CNC(=O)N1CCC1 273464a_100102657272_100000754969 [0,0,0,0,1,0|2,0,0]=3 709 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [0,0,0,0,1,0|1,0,1]=3 710 B8R1.38 O=C(CF)C1CCO1 1458a_100000089072_100015361967 [0,0,0,0,1,0|2,0,1]=4 711 B8R1.38 O=C(CF)C1COC1 1458a_100000758290_100015361967 [0,0,0,0,1,0|2,0,1]=4 712 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [0,0,0,0,1,0|1,0,1]=3 713 B8R1.38 O=C(CO)C1COC1 1458a_100000210174_100000687716 [0,0,0,0,1,0|2,0,1]=4 714 B8R1.38 O=C(CO)N1CCC1 240690a_100000754969_100000210174 [0,0,0,0,1,0|2,0,0]=3 715 B8R1.38 O=C(CO)N1CCC1 527a_100000754969_100000210174 [0,0,0,0,1,0|2,0,0]=3 716 B10R1.15 CCC(=O)C1=CCCCC1 1458a_100000765259_100000210202 [0,0,0,0,0,1|1,0,0]=2 717 B10R1.15 CCC(=O)C1=CCCCO1 1458a_100000764163_100000210202 [0,0,0,0,0,1|1,0,0]=2 718 B10R1.15 CCC(=O)C1=COCCC1 1458a_100000749935_100000210202 [0,0,0,0,0,1|1,0,0]=2 719 B10R1.15 CCC(=O)C1=COCCO1 1458a_100000008702_100000210202 [0,0,0,0,0,1|1,0,1]=3 720 B10R1.15 CCC(=O)C1C=CCCC1 1458a_100000210414_100000751183 [0,0,0,0,0,1|1,0,1]=3 721 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [0,0,0,0,0,1|1,0,1]=3 722 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [0,0,0,0,0,1|1,0,1]=3 723 B10R1.15 CCC(=O)C1CCCCO1 1458a_100000748299_100000210202 [0,0,0,0,0,1|1,0,1]=3 724 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000210414_100000693364 [0,0,0,0,0,1|1,0,1]=3 725 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000741522_100000210202 [0,0,0,0,0,1|1,0,1]=3 726 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000195482_100000210202 [0,0,0,0,0,1|1,0,1]=3 727 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000210414_100011324220 [0,0,0,0,0,1|1,0,1]=3 728 B10R1.15 CCC(=O)C1CCSCC1 1458a_100000755232_100000210202 [0,0,0,0,0,1|1,0,1]=3 729 B10R1.15 CCC(=O)C1COCCO1 1458a_100000045528_100000210202 [0,0,0,0,0,1|1,0,1]=3 730 B10R1.15 CCC(=O)C1SCCCS1 1458a_100000028545_100000210202 [0,0,0,0,0,1|1,0,1]=3 731 B10R1.15 CCC(=O)N1CC=CCC1 11a_100000698166_100000210414 [0,0,0,0,0,1|2,0,1]=4 732 B10R1.15 CCC(=O)N1CC=CCC1 1626a_100000698166_100000210414 [0,0,0,0,0,1|2,0,1]=4 733 B10R1.15 CCC(=O)N1CC=CCC1 240690a_100000698166_100000210414 [0,0,0,0,0,1|2,0,1]=4 734 B10R1.15 CCC(=O)N1CC=CCC1 527a_100000698166_100000210414 [0,0,0,0,0,1|2,0,1]=4 735 B10R1.15 CCC(=O)N1CCCOC1 11a_100000131196_100000210414 [0,0,0,0,0,1|2,0,0]=3 736 B10R1.15 CCC(=O)N1CCCOC1 240690a_100000131196_100000210414 [0,0,0,0,0,1|2,0,0]=3 737 B10R1.15 CCC(=O)N1CCOCC1 11a_100015191051_100000210414 [0,0,0,0,0,1|2,0,0]=3 738 B10R1.15 CCC(=O)N1CCOCC1 1626a_100015191051_100000210414 [0,0,0,0,0,1|2,0,0]=3 739 B10R1.15 CCC(=O)N1CCOCC1 240690a_100015191051_100000210414 [0,0,0,0,0,1|2,0,0]=3 740 B10R1.15 CCC(=O)N1CCOCC1 527a_100015191051_100000210414 [0,0,0,0,0,1|2,0,0]=3 741 B10R1.15 CCC(=O)N1CCSCC1 11a_100000737611_100000210414 [0,0,0,0,0,1|2,0,0]=3 742 B10R1.15 CCC(=O)N1CCSCC1 240690a_100000737611_100000210414 [0,0,0,0,0,1|2,0,0]=3 743 B10R1.15 CCC(=O)N1CCSCC1 527a_100000737611_100000210414 [0,0,0,0,0,1|2,0,0]=3 744 B10R1.15 CCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210202 [0,0,0,0,0,1|1,0,2]=4 745 B10R1.15 CNC(=O)C1=CCCCC1 11a_106832991635_100000765259 [0,0,0,0,0,1|2,0,0]=3 746 B10R1.15 CNC(=O)C1=CCCCC1 1626a_100102657272_100000765259 [0,0,0,0,0,1|2,0,0]=3 747 B10R1.15 CNC(=O)C1=CCCCC1 240690a_100102657272_100000765259 [0,0,0,0,0,1|2,0,0]=3 748 B10R1.15 CNC(=O)C1=CCCCC1 527a_100102657272_100000765259 [0,0,0,0,0,1|2,0,0]=3 749 B10R1.15 CNC(=O)C1=CCCCO1 11a_106832991635_100000764163 [0,0,0,0,0,1|2,0,0]=3 750 B10R1.15 CNC(=O)C1=CCCCO1 1626a_100102657272_100000764163 [0,0,0,0,0,1|2,0,0]=3 751 B10R1.15 CNC(=O)C1=CCCCO1 240690a_100102657272_100000764163 [0,0,0,0,0,1|2,0,0]=3 752 B10R1.15 CNC(=O)C1=CCCCO1 527a_100102657272_100000764163 [0,0,0,0,0,1|2,0,0]=3 753 B10R1.15 CNC(=O)C1=COCCC1 1626a_100102657272_100000749935 [0,0,0,0,0,1|2,0,0]=3 754 B10R1.15 CNC(=O)C1=COCCC1 527a_100102657272_100000749935 [0,0,0,0,0,1|2,0,0]=3 755 B10R1.15 CNC(=O)C1=COCCO1 11a_106832991635_100000008702 [0,0,0,0,0,1|2,0,1]=4 756 B10R1.15 CNC(=O)C1=COCCO1 1626a_100102657272_100000008702 [0,0,0,0,0,1|2,0,1]=4 757 B10R1.15 CNC(=O)C1=COCCO1 240690a_100102657272_100000008702 [0,0,0,0,0,1|2,0,1]=4 758 B10R1.15 CNC(=O)C1=COCCO1 527a_100102657272_100000008702 [0,0,0,0,0,1|2,0,1]=4 759 B10R1.15 CNC(=O)C1CCCCC1 11a_106832991635_100000210647 [0,0,0,0,0,1|2,0,1]=4 760 B10R1.15 CNC(=O)C1CCCCC1 1626a_100102657272_100000210647 [0,0,0,0,0,1|2,0,1]=4 761 B10R1.15 CNC(=O)C1CCCCC1 240690a_100102657272_100000210647 [0,0,0,0,0,1|2,0,1]=4 762 B10R1.15 CNC(=O)C1CCCCC1 527a_100102657272_100000210647 [0,0,0,0,0,1|2,0,1]=4 763 B10R1.15 CNC(=O)C1CCCCO1 11a_106832991635_100000748299 [0,0,0,0,0,1|2,0,1]=4 764 B10R1.15 CNC(=O)C1CCCCO1 1626a_100102657272_100000748299 [0,0,0,0,0,1|2,0,1]=4 765 B10R1.15 CNC(=O)C1CCCCO1 240690a_100102657272_100000748299 [0,0,0,0,0,1|2,0,1]=4 766 B10R1.15 CNC(=O)C1CCCCO1 527a_100102657272_100000748299 [0,0,0,0,0,1|2,0,1]=4 767 B10R1.15 CNC(=O)C1CCCOC1 11a_106832991635_100000741522 [0,0,0,0,0,1|2,0,1]=4 768 B10R1.15 CNC(=O)C1CCCOC1 1626a_100102657272_100000741522 [0,0,0,0,0,1|2,0,1]=4 769 B10R1.15 CNC(=O)C1CCCOC1 240690a_100102657272_100000741522 [0,0,0,0,0,1|2,0,1]=4 770 B10R1.15 CNC(=O)C1CCCOC1 527a_100102657272_100000741522 [0,0,0,0,0,1|2,0,1]=4 771 B10R1.15 CNC(=O)C1CCOCC1 11a_106832991635_100000195482 [0,0,0,0,0,1|2,0,1]=4 772 B10R1.15 CNC(=O)C1CCOCC1 1626a_100102657272_100000195482 [0,0,0,0,0,1|2,0,1]=4 773 B10R1.15 CNC(=O)C1CCOCC1 240690a_100102657272_100000195482 [0,0,0,0,0,1|2,0,1]=4 774 B10R1.15 CNC(=O)C1CCOCC1 527a_100102657272_100000195482 [0,0,0,0,0,1|2,0,1]=4 775 B10R1.15 CNC(=O)C1CCSCC1 11a_106832991635_100000755232 [0,0,0,0,0,1|2,0,1]=4 776 B10R1.15 CNC(=O)C1CCSCC1 1626a_100102657272_100000755232 [0,0,0,0,0,1|2,0,1]=4 777 B10R1.15 CNC(=O)C1CCSCC1 240690a_100102657272_100000755232 [0,0,0,0,0,1|2,0,1]=4 778 B10R1.15 CNC(=O)C1CCSCC1 527a_100102657272_100000755232 [0,0,0,0,0,1|2,0,1]=4 779 B10R1.15 CNC(=O)C1COCCO1 11a_106832991635_100000045528 [0,0,0,0,0,1|2,0,1]=4 780 B10R1.15 CNC(=O)C1COCCO1 1626a_100102657272_100000045528 [0,0,0,0,0,1|2,0,1]=4 781 B10R1.15 CNC(=O)C1COCCO1 240690a_100102657272_100000045528 [0,0,0,0,0,1|2,0,1]=4 782 B10R1.15 CNC(=O)C1COCCO1 527a_100102657272_100000045528 [0,0,0,0,0,1|2,0,1]=4 783 B10R1.15 CNC(=O)C1SCCCS1 11a_106832991635_100000028545 [0,0,0,0,0,1|2,0,1]=4 784 B10R1.15 CNC(=O)C1SCCCS1 1626a_100102657272_100000028545 [0,0,0,0,0,1|2,0,1]=4 785 B10R1.15 CNC(=O)C1SCCCS1 240690a_100102657272_100000028545 [0,0,0,0,0,1|2,0,1]=4 786 B10R1.15 CNC(=O)C1SCCCS1 527a_100102657272_100000028545 [0,0,0,0,0,1|2,0,1]=4 787 B10R1.15 CNC(=O)N1CCCOC1 2708a_100102657272_100000131196 [0,0,0,0,0,1|3,0,0]=4 788 B10R1.15 CNC(=O)N1CCCOC1 273464a_100102657272_100000131196 [0,0,0,0,0,1|3,0,0]=4 789 B10R1.15 CNC(=O)N1CCOCC1 2708a_100102657272_100015191051 [0,0,0,0,0,1|3,0,0]=4 790 B10R1.15 CNC(=O)N1CCOCC1 273464a_100102657272_100015191051 [0,0,0,0,0,1|3,0,0]=4 791 B10R1.15 CNC(=O)N1CCSCC1 2708a_100102657272_100000737611 [0,0,0,0,0,1|3,0,0]=4 792 B10R1.15 CNC(=O)N1CCSCC1 273464a_100102657272_100000737611 [0,0,0,0,0,1|3,0,0]=4 793 B10R1.15 O=C(CF)C1=CCCCC1 1458a_100000765259_100015361967 [0,0,0,0,0,1|2,0,0]=3 794 B10R1.15 O=C(CF)C1=CCCCO1 1458a_100000764163_100015361967 [0,0,0,0,0,1|2,0,0]=3 795 B10R1.15 O=C(CF)C1=COCCC1 1458a_100000749935_100015361967 [0,0,0,0,0,1|2,0,0]=3 796 B10R1.15 O=C(CF)C1=COCCO1 1458a_100000008702_100015361967 [0,0,0,0,0,1|2,0,1]=4 797 B10R1.15 O=C(CF)C1CCCCC1 1458a_100000210647_100015361967 [0,0,0,0,0,1|2,0,1]=4 798 B10R1.15 O=C(CF)C1CCCCO1 1458a_100000748299_100015361967 [0,0,0,0,0,1|2,0,1]=4 799 B10R1.15 O=C(CF)C1CCCOC1 1458a_100000741522_100015361967 [0,0,0,0,0,1|2,0,1]=4 800 B10R1.15 O=C(CF)C1CCOCC1 1458a_100000195482_100015361967 [0,0,0,0,0,1|2,0,1]=4 801 B10R1.15 O=C(CF)C1CCSCC1 1458a_100000755232_100015361967 [0,0,0,0,0,1|2,0,1]=4 802 B10R1.15 O=C(CF)C1COCCO1 1458a_100000045528_100015361967 [0,0,0,0,0,1|2,0,1]=4 803 B10R1.15 O=C(CF)C1SCCCS1 1458a_100000028545_100015361967 [0,0,0,0,0,1|2,0,1]=4 804 B10R1.15 O=C(CO)C1C=CCCC1 1458a_100000210174_100000751183 [0,0,0,0,0,1|2,0,1]=4 805 B10R1.15 O=C(CO)C1CCCCC1 1458a_100000210174_100000210327 [0,0,0,0,0,1|2,0,1]=4 806 B10R1.15 O=C(CO)C1CCCOC1 1458a_100000210174_100000693364 [0,0,0,0,0,1|2,0,1]=4 807 B10R1.15 O=C(CO)C1CCOCC1 1458a_100000210174_100011324220 [0,0,0,0,0,1|2,0,1]=4 808 B10R1.15 O=C(CO)N1CCCOC1 240690a_100000131196_100000210174 [0,0,0,0,0,1|3,0,0]=4 809 B10R1.15 O=C(CO)N1CCOCC1 240690a_100015191051_100000210174 [0,0,0,0,0,1|3,0,0]=4 810 B10R1.15 O=C(CO)N1CCOCC1 527a_100015191051_100000210174 [0,0,0,0,0,1|3,0,0]=4 811 B10R1.15 O=C(CO)N1CCSCC1 240690a_100000737611_100000210174 [0,0,0,0,0,1|3,0,0]=4 812 B10R1.15 O=C(CO)N1CCSCC1 527a_100000737611_100000210174 [0,0,0,0,0,1|3,0,0]=4 813 B10R1.27 CCC(=O)C=C1CCCC1 1458a_100000743260_100000210202 [0,0,0,0,0,1|1,0,0]=2 814 B10R1.27 CCC(=O)CC1=CCCC1 1458a_100000050221_100000210202 [0,0,0,0,0,1|1,0,0]=2 815 B10R1.27 CCC(=O)CC1C=CCC1 1458a_100000212241_100000210202 [0,0,0,0,0,1|1,0,2]=4 816 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [0,0,0,0,0,1|1,0,1]=3 817 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [0,0,0,0,0,1|1,0,1]=3 818 B10R1.27 CCC(=O)CC1CCCO1 1458a_100000210414_100000203698 [0,0,0,0,0,1|1,0,1]=3 819 B10R1.27 CCC(=O)CC1CCOC1 1458a_100000210414_100000702531 [0,0,0,0,0,1|2,0,1]=4 820 B10R1.27 CCC(=O)CC1CCOC1 1458a_100011218419_100000210202 [0,0,0,0,0,1|2,0,1]=4 821 B10R1.27 CCC(=O)CC1OCCO1 1458a_100000210414_100000755774 [0,0,0,0,0,1|2,0,1]=4 822 B10R1.27 CCC(=O)CN1CCCC1 1458a_100000740243_100000210202 [0,0,0,0,0,1|2,0,0]=3 823 B10R1.27 CCC(=O)CN1CCCC1 269982a_100000188435_100000747405 [0,0,0,0,0,1|2,0,0]=3 824 B10R1.27 CCC(=O)CN1CCSC1 269982a_100011215254_100000747405 [0,0,0,0,0,1|3,0,0]=4 825 B10R1.27 CCC(=O)Cc1c[nH]cn1 1458a_100000210414_100000707719 [0,0,0,0,0,1|1,0,2]=4 826 B10R1.27 CCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000210202 [0,0,0,0,0,1|1,0,2]=4 827 B10R1.27 CCC(=O)Cc1ccon1 1458a_100000210414_100000234950 [0,0,0,0,0,1|1,0,2]=4 828 B10R1.27 CCC(=O)Cc1cscn1 1458a_100000210414_100000205941 [0,0,0,0,0,1|1,0,2]=4 829 B10R1.27 CCC(=O)Cc1cscn1 1458a_100011438297_100000210202 [0,0,0,0,0,1|1,0,2]=4 830 B10R1.27 CCC(=O)Cc1ncco1 1458a_100000210414_103436540062 [0,0,0,0,0,1|1,0,2]=4 831 B10R1.27 CCC(=O)Cc1nccs1 1458a_100000210414_100015184050 [0,0,0,0,0,1|1,0,2]=4 832 B10R1.27 CCC(=O)Cc1nnn[nH]1 1458a_100000210414_100000765167 [0,0,0,0,0,1|3,0,0]=4 833 B10R1.27 CCC(=O)NC1CCCC1 11a_100000211070_100000210414 [0,0,0,0,0,1|1,0,1]=3 834 B10R1.27 CCC(=O)NC1CCCC1 1626a_100000211070_100000210414 [0,0,0,0,0,1|1,0,1]=3 835 B10R1.27 CCC(=O)NC1CCCC1 240690a_100000211070_100000210414 [0,0,0,0,0,1|1,0,1]=3 836 B10R1.27 CCC(=O)NC1CCCC1 527a_100000211070_100000210414 [0,0,0,0,0,1|1,0,1]=3 837 B10R1.27 CCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000210414 [0,0,0,0,0,1|2,0,1]=4 838 B10R1.27 CCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000210414 [0,0,0,0,0,1|2,0,1]=4 839 B10R1.27 CCC(=O)N[C@H]1CCOC1 11a_100015188467_100000210414 [0,0,0,0,0,1|2,0,1]=4 840 B10R1.27 CCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000210414 [0,0,0,0,0,1|2,0,1]=4 841 B10R1.27 CCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000210414 [0,0,0,0,0,1|2,0,1]=4 842 B10R1.27 CCC(=O)N[C@H]1CCOC1 527a_100015188467_100000210414 [0,0,0,0,0,1|2,0,1]=4 843 B10R1.27 CCN(C)CC1=NCCN1 269982a_100000225621_100000737910 [0,0,0,0,0,1|3,0,0]=4 844 B10R1.27 CNC(=O)C=C1CCCC1 11a_106832991635_100000743260 [0,0,0,0,0,1|2,0,0]=3 845 B10R1.27 CNC(=O)C=C1CCCC1 1626a_100102657272_100000743260 [0,0,0,0,0,1|2,0,0]=3 846 B10R1.27 CNC(=O)C=C1CCCC1 240690a_100102657272_100000743260 [0,0,0,0,0,1|2,0,0]=3 847 B10R1.27 CNC(=O)C=C1CCCC1 527a_100102657272_100000743260 [0,0,0,0,0,1|2,0,0]=3 848 B10R1.27 CNC(=O)CC1=CCCC1 11a_106832991635_100000050221 [0,0,0,0,0,1|2,0,0]=3 849 B10R1.27 CNC(=O)CC1=CCCC1 1626a_100102657272_100000050221 [0,0,0,0,0,1|2,0,0]=3 850 B10R1.27 CNC(=O)CC1=CCCC1 240690a_100102657272_100000050221 [0,0,0,0,0,1|2,0,0]=3 851 B10R1.27 CNC(=O)CC1=CCCC1 527a_100102657272_100000050221 [0,0,0,0,0,1|2,0,0]=3 852 B10R1.27 CNC(=O)CC1CCCC1 11a_106832991635_100000210891 [0,0,0,0,0,1|2,0,1]=4 853 B10R1.27 CNC(=O)CC1CCCC1 1626a_100102657272_100000210891 [0,0,0,0,0,1|2,0,1]=4 854 B10R1.27 CNC(=O)CC1CCCC1 240690a_100102657272_100000210891 [0,0,0,0,0,1|2,0,1]=4 855 B10R1.27 CNC(=O)CC1CCCC1 527a_100102657272_100000210891 [0,0,0,0,0,1|2,0,1]=4 856 B10R1.27 CNC(=O)CN1CCCC1 2230a_100000188435_100000183359 [0,0,0,0,0,1|3,0,0]=4 857 B10R1.27 CNC(=O)CN1CCCC1 240690a_100102657272_100000740243 [0,0,0,0,0,1|3,0,0]=4 858 B10R1.27 CNC(=O)CN1CCCC1 269982a_100000188435_100000183359 [0,0,0,0,0,1|3,0,0]=4 859 B10R1.27 CNC(=O)CN1CCCC1 527a_100102657272_100000740243 [0,0,0,0,0,1|3,0,0]=4 860 B10R1.27 CNC(=O)NC1CCCC1 2708a_100000211070_106832991635 [0,0,0,0,0,1|2,0,1]=4 861 B10R1.27 CNC(=O)NC1CCCC1 2708a_100102657272_100000211070 [0,0,0,0,0,1|2,0,1]=4 862 B10R1.27 CNC(=O)NC1CCCC1 273464a_100000211070_100102657272 [0,0,0,0,0,1|2,0,1]=4 863 B10R1.27 CNC(=O)NC1CCCC1 273464a_100102657272_100000211070 [0,0,0,0,0,1|2,0,1]=4 864 B10R1.27 CNC(=O)NC1CCCC1 512a_100000211070_100102657272 [0,0,0,0,0,1|2,0,1]=4 865 B10R1.27 CNC(=O)NC1CCCC1 512a_106832991638_100000211070 [0,0,0,0,0,1|2,0,1]=4 866 B10R1.27 COC(=O)CN1CCCC1 2230a_100000188435_100000747449 [0,0,0,0,0,1|3,0,0]=4 867 B10R1.27 COC(=O)CN1CCCC1 269982a_100000188435_100000747449 [0,0,0,0,0,1|3,0,0]=4 868 B10R1.27 O=C(C=C1CCCC1)CF 1458a_100000743260_100015361967 [0,0,0,0,0,1|2,0,0]=3 869 B10R1.27 O=C(CF)CC1=CCCC1 1458a_100000050221_100015361967 [0,0,0,0,0,1|2,0,0]=3 870 B10R1.27 O=C(CF)CC1CCCC1 1458a_100000210891_100015361967 [0,0,0,0,0,1|2,0,1]=4 871 B10R1.27 O=C(CF)CN1CCCC1 1458a_100000740243_100015361967 [0,0,0,0,0,1|3,0,0]=4 872 B10R1.27 O=C(CO)CC1CCCC1 1458a_100000210174_100000740388 [0,0,0,0,0,1|2,0,1]=4 873 B10R1.27 O=C(CO)CC1CCCO1 1458a_100000210174_100000203698 [0,0,0,0,0,1|2,0,1]=4 874 B10R1.27 O=C(CO)NC1CCCC1 240690a_100000211070_100000210174 [0,0,0,0,0,1|2,0,1]=4 875 B10R1.27 O=C(CO)NC1CCCC1 527a_100000211070_100000210174 [0,0,0,0,0,1|2,0,1]=4 876 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [1,0,1,0,0,0|1,0,1]=4 877 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [1,0,1,0,0,0|1,0,1]=4 878 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [1,0,1,0,0,0|1,0,1]=4 879 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [1,0,1,0,0,0|1,0,1]=4 880 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [1,0,1,0,0,0|1,0,1]=4 881 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [1,0,1,0,0,0|0,0,2]=4 882 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [1,0,1,0,0,0|1,0,1]=4 883 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [1,0,1,0,0,0|0,0,2]=4 884 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [1,0,1,0,0,0|0,0,2]=4 885 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,0,1,0,0,0|1,0,0]=3 886 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,0,1,0,0,0|1,0,0]=3 887 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,0,1,0,0,0|1,0,1]=4 888 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,0,1,0,0,0|1,0,1]=4 889 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,0,1,0,0,0|1,0,1]=4 890 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,0,1,0,0,0|1,0,1]=4 891 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [1,0,1,0,0,0|2,0,0]=4 892 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [1,0,1,0,0,0|2,0,0]=4 893 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [1,0,1,0,0,0|2,0,0]=4 894 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [1,0,1,0,0,0|1,0,1]=4 895 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [1,0,1,0,0,0|1,0,1]=4 896 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [1,0,1,0,0,0|1,0,1]=4 897 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [1,0,1,0,0,0|1,0,1]=4 898 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [1,0,1,0,0,0|1,0,1]=4 899 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [1,0,1,0,0,0|1,0,1]=4 900 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,0,1,0,0,0|0,0,1]=3 901 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [1,0,1,0,0,0|1,0,1]=4 902 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [1,0,1,0,0,0|1,0,1]=4 903 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [1,0,1,0,0,0|1,0,1]=4 904 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [1,0,1,0,0,0|1,0,1]=4 905 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,0,1,0,0,0|0,0,1]=3 906 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,0,1,0,0,0|0,0,1]=3 907 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [1,0,1,0,0,0|1,0,1]=4 908 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,0,1,0,0,0|1,0,1]=4 909 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,0,1,0,0,0|1,0,1]=4 910 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,0,1,0,0,0|1,0,1]=4 911 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,0,1,0,0,0|1,0,1]=4 912 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,0,1,0,0,0|1,0,1]=4 913 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,0,1,0,0,0|0,0,1]=3 914 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,0,1,0,0,0|0,0,1]=3 915 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,0,1,0,0,0|0,0,1]=3 916 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,0,1,0,0,0|0,0,1]=3 917 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [1,0,1,0,0,0|1,0,1]=4 918 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [1,0,1,0,0,0|1,0,1]=4 919 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [1,0,1,0,0,0|1,0,1]=4 920 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [1,0,1,0,0,0|1,0,1]=4 921 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [1,0,1,0,0,0|1,0,1]=4 922 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [1,0,1,0,0,0|1,0,1]=4 923 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [1,0,1,0,0,0|1,0,1]=4 924 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [1,0,1,0,0,0|1,0,1]=4 925 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [1,0,1,0,0,0|1,0,1]=4 926 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,0,1,0,0,0|1,0,1]=4 927 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,0,1,0,0,0|1,0,1]=4 928 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,0,1,0,0,0|1,0,1]=4 929 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,0,1,0,0,0|1,0,1]=4 930 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,0,1,0,0,0|1,0,1]=4 931 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [1,0,1,0,0,0|2,0,0]=4 932 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [1,0,1,0,0,0|2,0,0]=4 933 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [1,0,1,0,0,0|2,0,0]=4 934 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [1,0,1,0,0,0|2,0,0]=4 935 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [1,0,1,0,0,0|2,0,0]=4 936 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [1,0,1,0,0,0|1,0,0]=3 937 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [1,0,1,0,0,0|1,0,0]=3 938 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [1,0,1,0,0,0|1,0,1]=4 939 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [1,0,1,0,0,0|1,0,1]=4 940 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [1,0,1,0,0,0|1,0,1]=4 941 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [1,0,1,0,0,0|2,0,0]=4 942 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [1,0,1,0,0,0|2,0,0]=4 943 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [1,0,1,0,0,0|2,0,0]=4 944 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [1,0,1,0,0,0|2,0,0]=4 945 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [1,0,1,0,0,0|1,0,1]=4 946 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [1,0,1,0,0,0|1,0,1]=4 947 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [1,0,1,0,0,0|1,0,1]=4 948 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [1,0,1,0,0,0|1,0,1]=4 949 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [1,0,1,0,0,0|0,0,2]=4 950 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [1,0,1,0,0,0|1,0,1]=4 951 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [1,0,1,0,0,0|1,0,1]=4 952 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [1,0,1,0,0,0|1,0,1]=4 953 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [1,0,1,0,0,0|1,0,1]=4 954 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [1,0,1,0,0,0|1,0,1]=4 955 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [1,0,1,0,0,0|1,0,1]=4 956 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [1,0,1,0,0,0|1,0,1]=4 957 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [1,0,1,0,0,0|2,0,0]=4 958 B7R0.5 CO/N=C(\C)/C(=O)C 1458a_100160996864_200000210301 [1,0,1,0,0,0|1,0,0]=3 959 B7R0.5 CO/N=C(\C)/C(=O)[13CH3] 1458a_100160996864_200025704644 [1,0,1,0,0,0|1,0,0]=3 960 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [1,0,1,0,0,0|2,0,0]=4 961 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [1,0,1,0,0,0|2,0,0]=4 962 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [1,0,1,0,0,0|2,0,0]=4 963 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [1,0,1,0,0,0|1,0,1]=4 964 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [1,0,1,0,0,0|1,0,1]=4 965 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [1,0,1,0,0,0|2,0,0]=4 966 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [1,0,1,0,0,0|2,0,0]=4 967 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [1,0,1,0,0,0|2,0,0]=4 968 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [1,0,1,0,0,0|0,0,1]=3 969 B7R0.10 C/C=C(\C)/C(=O)CF 1458a_100020587367_100015361967 [1,0,1,0,0,0|1,0,1]=4 970 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [1,0,1,0,0,0|1,0,1]=4 971 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [1,0,1,0,0,0|1,0,1]=4 972 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [1,0,1,0,0,0|1,0,1]=4 973 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [1,0,1,0,0,0|0,0,1]=3 974 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [1,0,1,0,0,0|0,0,1]=3 975 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [1,0,1,0,0,0|0,0,2]=4 976 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [1,0,1,0,0,0|0,0,2]=4 977 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [1,0,1,0,0,0|1,0,1]=4 978 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [1,0,1,0,0,0|1,0,1]=4 979 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [1,0,1,0,0,0|1,0,1]=4 980 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [1,0,1,0,0,0|1,0,1]=4 981 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [1,0,1,0,0,0|1,0,1]=4 982 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [1,0,1,0,0,0|1,0,1]=4 983 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [1,0,1,0,0,0|1,0,1]=4 984 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [1,0,1,0,0,0|1,0,0]=3 985 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [1,0,1,0,0,0|1,0,0]=3 986 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [1,0,1,0,0,0|1,0,0]=3 987 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [1,0,1,0,0,0|1,0,0]=3 988 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [1,0,1,0,0,0|1,0,1]=4 989 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [1,0,1,0,0,0|1,0,1]=4 990 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [1,0,1,0,0,0|1,0,1]=4 991 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [1,0,1,0,0,0|1,0,1]=4 992 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [1,0,1,0,0,0|1,0,1]=4 993 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [1,0,1,0,0,0|1,0,1]=4 994 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [1,0,1,0,0,0|2,0,0]=4 995 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [1,0,1,0,0,0|2,0,0]=4 996 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [1,0,1,0,0,0|2,0,0]=4 997 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [1,0,1,0,0,0|2,0,0]=4 998 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [1,0,1,0,0,0|2,0,0]=4 999 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [1,0,1,0,0,0|2,0,0]=4 1000 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [1,0,1,0,0,0|2,0,0]=4 1001 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [1,0,1,0,0,0|2,0,0]=4 1002 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [1,0,1,0,0,0|2,0,0]=4 1003 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [1,0,1,0,0,0|2,0,0]=4 1004 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [1,0,1,0,0,0|2,0,0]=4 1005 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [1,0,1,0,0,0|2,0,0]=4 1006 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [1,0,1,0,0,0|2,0,0]=4 1007 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [1,0,1,0,0,0|2,0,0]=4 1008 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [1,0,1,0,0,0|2,0,0]=4 1009 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [1,0,1,0,0,0|2,0,0]=4 1010 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [1,0,1,0,0,0|2,0,0]=4 1011 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [1,0,1,0,0,0|2,0,0]=4 1012 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [1,0,1,0,0,0|2,0,0]=4 1013 B7R0.1 CC/C=C\COCF 34a_100016268518_100015361967 [1,0,1,0,0,0|2,0,0]=4 1014 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [1,0,1,0,0,0|2,0,0]=4 1015 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [1,0,1,0,0,0|2,0,0]=4 1016 B7R0.1 CC/C=C\CSCF 62a_100015361967_100103147603 [1,0,1,0,0,0|2,0,0]=4 1017 B7R0.1 CC/C=C\CSCF 62a_100103147603_100015361967 [1,0,1,0,0,0|2,0,0]=4 1018 B7R0.1 CCC=NNCCC 4a_100000740057_100000210100 [1,0,1,0,0,0|1,0,1]=4 1019 B7R0.1 CCCC=NNCC 4a_100000756455_100000185831 [1,0,1,0,0,0|1,0,1]=4 1020 B7R0.4 C=C(C)C=NNCC 4a_100000756455_100000210575 [1,0,1,0,0,0|2,0,0]=4 1021 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,0,1,0,0,0|1,0,1]=4 1022 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,1,0,0,0|1,0,1]=4 1023 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,1,0,0,0|1,0,1]=4 1024 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,0,1,0,0,0|2,0,0]=4 1025 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,0,1,0,0,0|2,0,0]=4 1026 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,0,1,0,0,0|2,0,0]=4 1027 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,0,1,0,0,0|2,0,0]=4 1028 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,0,1,0,0,0|2,0,0]=4 1029 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,0,1,0,0,0|2,0,0]=4 1030 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [1,0,1,0,0,0|1,0,1]=4 1031 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [1,0,1,0,0,0|1,0,1]=4 1032 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [1,0,1,0,0,0|1,0,1]=4 1033 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,0,1,0,0,0|1,0,0]=3 1034 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,0,1,0,0,0|1,0,0]=3 1035 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,1,0,0,0|1,0,1]=4 1036 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,1,0,0,0|1,0,1]=4 1037 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,1,0,0,0|1,0,1]=4 1038 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,0,1,0,0,0|2,0,0]=4 1039 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,0,1,0,0,0|2,0,0]=4 1040 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,0,1,0,0,0|2,0,0]=4 1041 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,0,1,0,0,0|2,0,0]=4 1042 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [1,0,1,0,0,0|1,0,1]=4 1043 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,0,1,0,0,0|1,0,1]=4 1044 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,0,1,0,0,0|1,0,1]=4 1045 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,0,1,0,0,0|1,0,1]=4 1046 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,0,1,0,0,0|1,0,1]=4 1047 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,0,1,0,0,0|1,0,1]=4 1048 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [1,0,1,0,0,0|2,0,0]=4 1049 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [1,0,1,0,0,0|2,0,0]=4 1050 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [1,0,1,0,0,0|2,0,0]=4 1051 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [1,0,1,0,0,0|2,0,0]=4 1052 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,1,0,0,0|1,0,1]=4 1053 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [1,0,1,0,0,0|1,0,1]=4 1054 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [1,0,1,0,0,0|1,0,1]=4 1055 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [1,0,1,0,0,0|1,0,1]=4 1056 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [1,0,1,0,0,0|1,0,1]=4 1057 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [1,0,1,0,0,0|1,0,1]=4 1058 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [1,0,1,0,0,0|2,0,0]=4 1059 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [1,0,1,0,0,0|2,0,0]=4 1060 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [1,0,1,0,0,0|2,0,0]=4 1061 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [1,0,1,0,0,0|2,0,0]=4 1062 B7R1.1 CCN1CCCC1 2230a_100000188435_100000210202 [2,0,0,0,0,0|2,0,0]=4 1063 B7R1.1 CCN1CCCC1 269982a_100000188435_100000204670 [2,0,0,0,0,0|2,0,0]=4 1064 B9R0.6 CC/C=C(\C)/C(=O)C(C)C 1458a_100016988807_100000210206 [0,1,1,0,0,0|1,0,0]=3 1065 B9R0.6 CC/C=C(\C)/C(=O)N(C)C 11a_100102631434_100016988807 [0,1,1,0,0,0|2,0,0]=4 1066 B9R0.6 CC/C=C(\C)/C(=O)N(C)C 1626a_100102631434_100016988807 [0,1,1,0,0,0|2,0,0]=4 1067 B9R0.6 CC/C=C(\C)/C(=O)N(C)C 240690a_100102631434_100016988807 [0,1,1,0,0,0|2,0,0]=4 1068 B9R0.6 CC/C=C(\C)/C(=O)N(C)C 527a_100102631434_100016988807 [0,1,1,0,0,0|2,0,0]=4 1069 B9R0.6 CCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210303 [0,1,1,0,0,0|2,0,0]=4 1070 B9R0.6 CCCC(C)C(=O)C(C)C 1458a_100000210198_100000766640 [0,1,1,0,0,0|1,0,1]=4 1071 B9R0.6 CCCC(C)C(=O)C(C)C 1458a_100000210906_100000210206 [0,1,1,0,0,0|1,0,1]=4 1072 B9R0.6 CCCC(C)C(=O)C(C)F 1458a_100000062450_100000766640 [0,1,1,0,0,0|1,0,1]=4 1073 B9R0.6 CCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000766640 [0,1,1,0,0,0|1,0,1]=4 1074 B9R0.6 CCCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000766640 [0,1,1,0,0,0|1,0,1]=4 1075 B9R0.6 CCCN(C)C(=O)C(C)C 11a_100000747261_100000210198 [0,1,1,0,0,0|2,0,0]=4 1076 B9R0.6 CCCN(C)C(=O)C(C)C 1626a_100000747261_100000210198 [0,1,1,0,0,0|2,0,0]=4 1077 B9R0.6 CCCN(C)C(=O)C(C)C 240690a_100000747261_100000210198 [0,1,1,0,0,0|2,0,0]=4 1078 B9R0.6 CCCN(C)C(=O)C(C)C 527a_100000747261_100000210198 [0,1,1,0,0,0|2,0,0]=4 1079 B9R0.6 CCCN(C)C(=O)C(C)F 11a_100000747261_100000062450 [0,1,1,0,0,0|2,0,0]=4 1080 B9R0.6 CCCN(C)C(=O)C(C)F 1626a_100000747261_100000062450 [0,1,1,0,0,0|2,0,0]=4 1081 B9R0.6 CCCN(C)C(=O)C(C)F 240690a_100000747261_100000062450 [0,1,1,0,0,0|2,0,0]=4 1082 B9R0.6 CCCN(C)C(=O)C(C)F 527a_100000747261_100000062450 [0,1,1,0,0,0|2,0,0]=4 1083 B9R0.6 CCCN(C)C(=O)[C@@H](C)O 240690a_100000747261_100000717761 [0,1,1,0,0,0|2,0,0]=4 1084 B9R0.6 CCCN(C)C(=O)[C@H](C)O 1626a_100000747261_217856618621 [0,1,1,0,0,0|2,0,0]=4 1085 B9R0.6 CCCN(C)C(=O)[C@H](C)O 240690a_100000747261_217856618621 [0,1,1,0,0,0|2,0,0]=4 1086 B9R0.6 CCC[C@H](O)C(=O)C(C)C 1458a_100009822183_100000210206 [0,1,1,0,0,0|1,0,1]=4 1087 B9R0.6 CCNC(=O)C(=O)C(C)C 1458a_200011297158_100000210206 [0,1,1,0,0,0|1,0,1]=4 1088 B9R0.6 CCNC(C)C(=O)C(C)C 2230a_100015525214_100009893295 [0,1,1,0,0,0|0,0,2]=4 1089 B9R0.6 CCOC(C)C(=O)C(C)C 1458a_100000739345_100000210206 [0,1,1,0,0,0|1,0,1]=4 1090 B9R0.6 CCSC(C)C(=O)C(C)C 1458a_100000230601_100000210206 [0,1,1,0,0,0|1,0,1]=4 1091 B9R0.6 CCSC(C)C(=O)C(C)C 62a_100000210202_100009893295 [0,1,1,0,0,0|1,0,1]=4 1092 B9R0.6 CCSC(C)C(=O)C(C)C 62a_100009893295_100000210202 [0,1,1,0,0,0|1,0,1]=4 1093 B9R0.6 CO/N=C(\C)/C(=O)C(C)C 1458a_100160996864_100000210206 [0,1,1,0,0,0|1,0,0]=3 1094 B9R0.6 CO/N=C(\C)/C(=O)N(C)C 11a_100102631434_100160996864 [0,1,1,0,0,0|2,0,0]=4 1095 B9R0.6 CO/N=C(\C)/C(=O)N(C)C 240690a_100102631434_100160996864 [0,1,1,0,0,0|2,0,0]=4 1096 B9R0.8 C/C=C(\C)/C(=NNCC)C 4a_100000756455_100020675665 [0,1,1,0,0,0|1,0,1]=4 1097 B9R0.8 C=C(COCC)C(=O)OC 34a_100121572206_100009813391 [0,1,1,0,0,0|2,0,0]=4 1098 B9R0.8 C=C(CSCC)C(=O)OC 62a_100000210202_100009813391 [0,1,1,0,0,0|2,0,0]=4 1099 B9R0.8 C=C(CSCC)C(=O)OC 62a_100009813391_100000210202 [0,1,1,0,0,0|2,0,0]=4 1100 B9R0.8 CCC(=O)C(C)NCCO 2230a_100016997473_100000742827 [0,1,1,0,0,0|0,0,2]=4 1101 B9R0.8 CCC(=O)C(C)SCCF 62a_100000742827_100011217306 [0,1,1,0,0,0|1,0,1]=4 1102 B9R0.8 CCC(=O)C(C)SCCF 62a_100011217306_100000742827 [0,1,1,0,0,0|1,0,1]=4 1103 B9R0.8 CCC(=O)C(C)SCCO 62a_100000211926_100000742827 [0,1,1,0,0,0|1,0,1]=4 1104 B9R0.8 CCC(=O)C(C)SCCO 62a_100000742827_100000211926 [0,1,1,0,0,0|1,0,1]=4 1105 B9R0.8 CCC(=O)C(C)SCOC 62a_100000742827_100000766300 [0,1,1,0,0,0|1,0,1]=4 1106 B9R0.8 CCC(=O)C(C)SCOC 62a_100000766300_100000742827 [0,1,1,0,0,0|1,0,1]=4 1107 B9R0.8 CCC(=O)C(C)SCSC 62a_100000742827_100011218213 [0,1,1,0,0,0|1,0,1]=4 1108 B9R0.8 CCC(=O)C(C)SCSC 62a_100011218213_100000742827 [0,1,1,0,0,0|1,0,1]=4 1109 B9R0.8 CCC(=O)C(O)CCSC 1458a_100000685904_100000210202 [0,1,1,0,0,0|1,0,1]=4 1110 B9R0.8 CCC(=O)N(C)CCCO 240690a_100000213112_100000210414 [0,1,1,0,0,0|2,0,0]=4 1111 B9R0.8 CCC(=O)N(C)CCCO 527a_100000213112_100000210414 [0,1,1,0,0,0|2,0,0]=4 1112 B9R0.8 CCC(=O)N(C)CCOC 11a_100000743101_100000210414 [0,1,1,0,0,0|2,0,0]=4 1113 B9R0.8 CCC(=O)N(C)CCOC 1626a_100000743101_100000210414 [0,1,1,0,0,0|2,0,0]=4 1114 B9R0.8 CCC(=O)N(C)CCOC 240690a_100000743101_100000210414 [0,1,1,0,0,0|2,0,0]=4 1115 B9R0.8 CCC(=O)N(C)CCOC 527a_100000743101_100000210414 [0,1,1,0,0,0|2,0,0]=4 1116 B9R0.8 CCC(=O)N(C)CCSC 11a_100000686725_100000210414 [0,1,1,0,0,0|2,0,0]=4 1117 B9R0.8 CCC(=O)N(C)CCSC 1626a_100000686725_100000210414 [0,1,1,0,0,0|2,0,0]=4 1118 B9R0.8 CCC(=O)N(C)CCSC 240690a_100000686725_100000210414 [0,1,1,0,0,0|2,0,0]=4 1119 B9R0.8 CCC(=O)N(C)CCSC 527a_100000686725_100000210414 [0,1,1,0,0,0|2,0,0]=4 1120 B9R0.8 CCC/C=C(\C)/C(=O)CC 1458a_200020648666_100000210202 [0,1,1,0,0,0|1,0,0]=3 1121 B9R0.8 CCC/C=C(\C)/C(=O)CF 1458a_200020648666_100015361967 [0,1,1,0,0,0|2,0,0]=4 1122 B9R0.8 CCC/C=C(\C)/C(=O)NC 11a_106832991635_200020648666 [0,1,1,0,0,0|2,0,0]=4 1123 B9R0.8 CCC/C=C(\C)/C(=O)NC 1626a_100102657272_200020648666 [0,1,1,0,0,0|2,0,0]=4 1124 B9R0.8 CCC/C=C(\C)/C(=O)NC 240690a_100102657272_200020648666 [0,1,1,0,0,0|2,0,0]=4 1125 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [0,1,1,0,0,0|2,0,0]=4 1126 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [0,1,1,0,0,0|1,0,1]=4 1127 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [0,1,1,0,0,0|1,0,1]=4 1128 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [0,1,1,0,0,0|1,0,1]=4 1129 B9R0.8 CCCCN(C)C(=O)CC 11a_100000207549_100000210414 [0,1,1,0,0,0|2,0,0]=4 1130 B9R0.8 CCCCN(C)C(=O)CC 1626a_100000207549_100000210414 [0,1,1,0,0,0|2,0,0]=4 1131 B9R0.8 CCCCN(C)C(=O)CC 240690a_100000207549_100000210414 [0,1,1,0,0,0|2,0,0]=4 1132 B9R0.8 CCCCN(C)C(=O)CC 527a_100000207549_100000210414 [0,1,1,0,0,0|2,0,0]=4 1133 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [0,1,1,0,0,0|1,0,0]=3 1134 B9R0.8 CCCNC(=O)C(=O)CF 1458a_200011297150_100015361967 [0,1,1,0,0,0|2,0,0]=4 1135 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100020643023_100011218921 [0,1,1,0,0,0|2,0,0]=4 1136 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100102657272_200011297150 [0,1,1,0,0,0|2,0,0]=4 1137 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100020643023_100011218921 [0,1,1,0,0,0|2,0,0]=4 1138 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100102657272_200011297150 [0,1,1,0,0,0|2,0,0]=4 1139 B9R0.8 CCCNC(=O)C(=O)NC 527a_100020643023_100011218921 [0,1,1,0,0,0|2,0,0]=4 1140 B9R0.8 CCCNC(=O)C(=O)NC 527a_100102657272_200011297150 [0,1,1,0,0,0|2,0,0]=4 1141 B9R0.8 CCCNC(=O)C(=O)OC 11a_100020643023_100000024059 [0,1,1,0,0,0|2,0,0]=4 1142 B9R0.8 CCCNC(=O)C(=O)OC 1626a_100020643023_100000024059 [0,1,1,0,0,0|2,0,0]=4 1143 B9R0.8 CCCNC(=O)C(=O)OC 240690a_100020643023_100000024059 [0,1,1,0,0,0|2,0,0]=4 1144 B9R0.8 CCCNC(=O)C(=O)OC 527a_100020643023_100000024059 [0,1,1,0,0,0|2,0,0]=4 1145 B9R0.8 CCCSC(C)C(=O)CC 62a_100000210303_100000742827 [0,1,1,0,0,0|1,0,1]=4 1146 B9R0.8 CCCSC(C)C(=O)CC 62a_100000742827_100000210303 [0,1,1,0,0,0|1,0,1]=4 1147 B9R0.8 CCNN=C(C)C(=O)OC 4a_100000756455_100000211753 [0,1,1,0,0,0|1,0,0]=3 1148 B9R0.8 CCNN=C(C)C(C)CC 4a_100000756455_100000210599 [0,1,1,0,0,0|1,0,1]=4 1149 B9R0.8 CCOCC(=O)C(=O)OC 34a_100121572206_100011610305 [0,1,1,0,0,0|2,0,0]=4 1150 B9R0.8 CCSCC(=O)C(=O)OC 62a_100000210202_100011610305 [0,1,1,0,0,0|2,0,0]=4 1151 B9R0.8 CCSCC(=O)C(=O)OC 62a_100011610305_100000210202 [0,1,1,0,0,0|2,0,0]=4 1152 B9R0.8 CNC(=O)C(=O)CCCF 1458a_100011218921_100011934791 [0,1,1,0,0,0|2,0,0]=4 1153 B9R0.8 CNC(=O)C(=O)CCCO 1458a_100011218921_100011215043 [0,1,1,0,0,0|2,0,0]=4 1154 B9R0.8 CNC(=O)C(=O)CCOC 1458a_100011218921_100000233755 [0,1,1,0,0,0|2,0,0]=4 1155 B9R0.8 CNC(=O)C(=O)CCSC 1458a_100011218921_100000751147 [0,1,1,0,0,0|2,0,0]=4 1156 B9R0.12 CCCC(CC)C(=O)CC 1458a_100000210414_100011219200 [0,1,1,0,0,0|1,0,1]=4 1157 B9R0.12 CCCC(CC)C(=O)CC 1458a_100011416436_100000210202 [0,1,1,0,0,0|1,0,1]=4 1158 B9R0.12 CCCN(CC)C(=O)CC 11a_100000226822_100000210414 [0,1,1,0,0,0|2,0,0]=4 1159 B9R0.12 CCCN(CC)C(=O)CC 1626a_100000226822_100000210414 [0,1,1,0,0,0|2,0,0]=4 1160 B9R0.12 CCCN(CC)C(=O)CC 240690a_100000226822_100000210414 [0,1,1,0,0,0|2,0,0]=4 1161 B9R0.12 CCCN(CC)C(=O)CC 527a_100000226822_100000210414 [0,1,1,0,0,0|2,0,0]=4 1162 B9R0.12 CCOC(CC)C(=O)CC 34a_200011218131_100000210202 [0,1,1,0,0,0|1,0,1]=4 1163 B9R0.12 CCOC(CC)C(=O)CC 7a_200011218131_100000210202 [0,1,1,0,0,0|1,0,1]=4 1164 B9R0.23 CCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210202 [0,1,1,0,0,0|1,0,1]=4 1165 B9R0.23 CCC(=O)C(C)CC(C)C 1458a_100000210414_100000731052 [0,1,1,0,0,0|1,0,1]=4 1166 B9R0.23 CCC(=O)C(C)NC(C)C 2230a_100138425928_100000742827 [0,1,1,0,0,0|0,0,2]=4 1167 B9R0.23 CCC(=O)C(C)SC(C)C 62a_100000210206_100000742827 [0,1,1,0,0,0|1,0,1]=4 1168 B9R0.23 CCC(=O)C(C)SC(C)C 62a_100000742827_100000210206 [0,1,1,0,0,0|1,0,1]=4 1169 B9R0.23 CCC(=O)N(C)CC(C)C 11a_100000747067_100000210414 [0,1,1,0,0,0|2,0,0]=4 1170 B9R0.23 CCC(=O)N(C)CC(C)C 1626a_100000747067_100000210414 [0,1,1,0,0,0|2,0,0]=4 1171 B9R0.23 CCC(=O)N(C)CC(C)C 240690a_100000747067_100000210414 [0,1,1,0,0,0|2,0,0]=4 1172 B9R0.23 CCC(=O)N(C)CC(C)C 527a_100000747067_100000210414 [0,1,1,0,0,0|2,0,0]=4 1173 B9R0.23 CCC(=O)N(C)CC(C)O 240690a_100000227577_100000210414 [0,1,1,0,0,0|2,0,0]=4 1174 B9R0.23 CCC(=O)N(C)CC(C)O 527a_100000227577_100000210414 [0,1,1,0,0,0|2,0,0]=4 1175 B9R0.23 CCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210202 [0,1,1,0,0,0|1,0,1]=4 1176 B9R0.23 CNC(=O)C(=O)CC(C)C 1458a_100011218921_100000210624 [0,1,1,0,0,0|2,0,0]=4 1177 B9R0.23 CNC(=O)C(=O)CC(C)O 1458a_100011218921_100011218427 [0,1,1,0,0,0|2,0,0]=4 1178 B9R0.27 CCC(=O)C(C)C(=O)CC 1458a_100000210414_100000742827 [0,1,1,0,0,0|1,0,1]=4 1179 B9R0.27 CCC(=O)C(C)N(C)CC 1458a_100011281945_100000210202 [0,1,1,0,0,0|0,0,2]=4 1180 B9R0.27 CCC(=O)C(C)N(C)CC 2230a_100000225621_100000742827 [0,1,1,0,0,0|0,0,2]=4 1181 B9R0.27 CCC(=O)C(C)N(C)CC 269982a_100000225621_100000742827 [0,1,1,0,0,0|0,0,2]=4 1182 B9R0.27 CCC(=O)N(C)C(C)CC 11a_100000741768_100000210414 [0,1,1,0,0,0|2,0,0]=4 1183 B9R0.27 CCC(=O)N(C)C(C)CC 1626a_100000741768_100000210414 [0,1,1,0,0,0|2,0,0]=4 1184 B9R0.27 CCC(=O)N(C)C(C)CC 240690a_100000741768_100000210414 [0,1,1,0,0,0|2,0,0]=4 1185 B9R0.27 CCC(=O)N(C)C(C)CC 527a_100000741768_100000210414 [0,1,1,0,0,0|2,0,0]=4 1186 B9R0.27 CCC(C)C(=O)C(=O)NC 1458a_100011218921_100000758301 [0,1,1,0,0,0|2,0,0]=4 1187 B9R0.35 C#CCC(=O)/C(=C/CC)/C 1458a_100016988807_100000184674 [0,1,1,0,0,0|1,0,1]=4 1188 B9R0.35 C#CCC(=O)/C(=N/OC)/C 1458a_100160996864_100000184674 [0,1,1,0,0,0|1,0,1]=4 1189 B9R0.35 C=C(CNC)C(=O)OCC 34a_100102657272_100000755967 [0,1,1,0,0,0|2,0,0]=4 1190 B9R0.35 C=C(CNC)C(=O)OCC 7a_106832991635_100000755967 [0,1,1,0,0,0|2,0,0]=4 1191 B9R0.35 C=C(COC)C(=O)OCC 34a_100138415774_100000755967 [0,1,1,0,0,0|2,0,0]=4 1192 B9R0.35 C=C(CSC)C(=O)OCC 62a_100000755967_200000210301 [0,1,1,0,0,0|2,0,0]=4 1193 B9R0.35 C=C(CSC)C(=O)OCC 62a_200000210301_100000755967 [0,1,1,0,0,0|2,0,0]=4 1194 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_100000755967_200025704644 [0,1,1,0,0,0|2,0,0]=4 1195 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_200025704644_100000755967 [0,1,1,0,0,0|2,0,0]=4 1196 B9R0.35 C=CCC(=O)/C(=C/CC)/C 1458a_100016988807_100000210623 [0,1,1,0,0,0|1,0,1]=4 1197 B9R0.35 C=CCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210623 [0,1,1,0,0,0|1,0,1]=4 1198 B9R0.35 CC/C=C(\C)/C(=O)CC#N 1458a_100016988807_100011214920 [0,1,1,0,0,0|1,0,1]=4 1199 B9R0.35 CC/C=C(\C)/C(=O)CCC 1458a_100016988807_100000210303 [0,1,1,0,0,0|1,0,0]=3 1200 B9R0.35 CC/C=C(\C)/C(=O)CCF 1458a_100016988807_100011217306 [0,1,1,0,0,0|1,0,0]=3 1201 B9R0.35 CC/C=C(\C)/C(=O)CCO 1458a_100016988807_100000211926 [0,1,1,0,0,0|1,0,0]=3 1202 B9R0.35 CC/C=C(\C)/C(=O)NCC 11a_100015525214_100016988807 [0,1,1,0,0,0|1,0,0]=3 1203 B9R0.35 CC/C=C(\C)/C(=O)NCC 240690a_100015525214_100016988807 [0,1,1,0,0,0|1,0,0]=3 1204 B9R0.35 CC/C=C(\C)/C(=O)NCC 527a_100015525214_100016988807 [0,1,1,0,0,0|1,0,0]=3 1205 B9R0.35 CC/C=C(\C)/C(=O)NNC 22a_100016993582_100016988807 [0,1,1,0,0,0|2,0,0]=4 1206 B9R0.35 CCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210303 [0,1,1,0,0,0|1,0,0]=3 1207 B9R0.35 CCCC(=O)C(=O)NCC 1458a_200011297158_100000210303 [0,1,1,0,0,0|1,0,0]=3 1208 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [0,1,1,0,0,0|1,0,1]=4 1209 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [0,1,1,0,0,0|1,0,1]=4 1210 B9R0.35 CCCC(=O)C(C)OCC 1458a_100000739345_100000210303 [0,1,1,0,0,0|1,0,1]=4 1211 B9R0.35 CCCC(=O)C(C)SCC 1458a_100000230601_100000210303 [0,1,1,0,0,0|1,0,1]=4 1212 B9R0.35 CCCC(=O)N(C)CCC 11a_100000747261_100000211992 [0,1,1,0,0,0|2,0,0]=4 1213 B9R0.35 CCCC(=O)N(C)CCC 1626a_100000747261_100000211992 [0,1,1,0,0,0|2,0,0]=4 1214 B9R0.35 CCCC(=O)N(C)CCC 240690a_100000747261_100000211992 [0,1,1,0,0,0|2,0,0]=4 1215 B9R0.35 CCCC(=O)N(C)CCC 527a_100000747261_100000211992 [0,1,1,0,0,0|2,0,0]=4 1216 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [0,1,1,0,0,0|1,0,1]=4 1217 B9R0.35 CCCC(C)C(=O)CCF 1458a_100000210906_100011217306 [0,1,1,0,0,0|1,0,1]=4 1218 B9R0.35 CCCC(C)C(=O)CCO 1458a_100000210906_100000211926 [0,1,1,0,0,0|1,0,1]=4 1219 B9R0.35 CCCC(C)C(=O)CCO 1458a_100011216618_100000766640 [0,1,1,0,0,0|1,0,1]=4 1220 B9R0.35 CCCC(C)C(=O)COC 1458a_100000210968_100000766640 [0,1,1,0,0,0|1,0,1]=4 1221 B9R0.35 CCCC(C)C(=O)CSC 1458a_100000184570_100000766640 [0,1,1,0,0,0|1,0,1]=4 1222 B9R0.35 CCCC(C)C(=O)NCC 11a_100015525214_100000210906 [0,1,1,0,0,0|1,0,1]=4 1223 B9R0.35 CCCC(C)C(=O)NCC 240690a_100015525214_100000210906 [0,1,1,0,0,0|1,0,1]=4 1224 B9R0.35 CCCC(C)C(=O)NCC 527a_100015525214_100000210906 [0,1,1,0,0,0|1,0,1]=4 1225 B9R0.35 CCCN(C)C(=O)CCO 240690a_100000747261_100011216618 [0,1,1,0,0,0|2,0,0]=4 1226 B9R0.35 CCCN(C)C(=O)COC 11a_100000747261_100000210968 [0,1,1,0,0,0|2,0,0]=4 1227 B9R0.35 CCCN(C)C(=O)COC 1626a_100000747261_100000210968 [0,1,1,0,0,0|2,0,0]=4 1228 B9R0.35 CCCN(C)C(=O)COC 240690a_100000747261_100000210968 [0,1,1,0,0,0|2,0,0]=4 1229 B9R0.35 CCCN(C)C(=O)COC 527a_100000747261_100000210968 [0,1,1,0,0,0|2,0,0]=4 1230 B9R0.35 CCCN(C)C(=O)CSC 11a_100000747261_100000184570 [0,1,1,0,0,0|2,0,0]=4 1231 B9R0.35 CCCN(C)C(=O)CSC 1626a_100000747261_100000184570 [0,1,1,0,0,0|2,0,0]=4 1232 B9R0.35 CCCN(C)C(=O)CSC 240690a_100000747261_100000184570 [0,1,1,0,0,0|2,0,0]=4 1233 B9R0.35 CCCN(C)C(=O)CSC 527a_100000747261_100000184570 [0,1,1,0,0,0|2,0,0]=4 1234 B9R0.35 CCCN(C)C(=O)NCC 2708a_100015525214_100000747261 [0,1,1,0,0,0|2,0,0]=4 1235 B9R0.35 CCCN(C)C(=O)NCC 273464a_100015525214_100000747261 [0,1,1,0,0,0|2,0,0]=4 1236 B9R0.35 CCC[C@H](O)C(=O)CCF 1458a_100009822183_100011217306 [0,1,1,0,0,0|1,0,1]=4 1237 B9R0.35 CCC[C@H](O)C(=O)CCO 1458a_100009822183_100000211926 [0,1,1,0,0,0|1,0,1]=4 1238 B9R0.35 CCC[C@H](O)C(=O)NCC 240690a_100015525214_100009822183 [0,1,1,0,0,0|1,0,1]=4 1239 B9R0.35 CCNC(=O)/C(=N/OC)/C 11a_100015525214_100160996864 [0,1,1,0,0,0|1,0,0]=3 1240 B9R0.35 CCNC(=O)/C(=N/OC)/C 240690a_100015525214_100160996864 [0,1,1,0,0,0|1,0,0]=3 1241 B9R0.35 CCNC(=O)C(=O)CCF 1458a_200011297158_100011217306 [0,1,1,0,0,0|1,0,1]=4 1242 B9R0.35 CCNC(=O)C(=O)CCO 1458a_200011297158_100000211926 [0,1,1,0,0,0|1,0,1]=4 1243 B9R0.35 CCNC(=O)C(=O)NCC 240690a_100015525214_200011297158 [0,1,1,0,0,0|1,0,1]=4 1244 B9R0.35 CCNC(=O)C(=O)NCC 527a_100015525214_200011297158 [0,1,1,0,0,0|1,0,1]=4 1245 B9R0.35 CCNC(=O)C(=O)OCC 11a_100015525214_100014798877 [0,1,1,0,0,0|1,0,1]=4 1246 B9R0.35 CCNC(=O)C(=O)OCC 240690a_100015525214_100014798877 [0,1,1,0,0,0|1,0,1]=4 1247 B9R0.35 CCNC(=O)C(C)NCC 2230a_100000736553_100000210202 [0,1,1,0,0,0|0,0,2]=4 1248 B9R0.35 CCNC(=O)C(C)NCC 2230a_100015525214_100000230173 [0,1,1,0,0,0|0,0,2]=4 1249 B9R0.35 CCNC(=O)C(C)NCC 34a_100000736553_100000210202 [0,1,1,0,0,0|0,0,2]=4 1250 B9R0.35 CCNC(=O)C(C)OCC 11a_100015525214_100000739345 [0,1,1,0,0,0|1,0,1]=4 1251 B9R0.35 CCNC(=O)C(C)OCC 240690a_100015525214_100000739345 [0,1,1,0,0,0|1,0,1]=4 1252 B9R0.35 CCNC(=O)C(C)OCC 34a_100121572206_100000230173 [0,1,1,0,0,0|1,0,1]=4 1253 B9R0.35 CCNC(=O)C(C)OCC 527a_100015525214_100000739345 [0,1,1,0,0,0|1,0,1]=4 1254 B9R0.35 CCNC(=O)C(C)SCC 11a_100015525214_100000230601 [0,1,1,0,0,0|1,0,1]=4 1255 B9R0.35 CCNC(=O)C(C)SCC 240690a_100015525214_100000230601 [0,1,1,0,0,0|1,0,1]=4 1256 B9R0.35 CCNC(=O)C(C)SCC 527a_100015525214_100000230601 [0,1,1,0,0,0|1,0,1]=4 1257 B9R0.35 CCNC(=O)C(C)SCC 62a_100000210202_100000230173 [0,1,1,0,0,0|1,0,1]=4 1258 B9R0.35 CCNC(=O)C(C)SCC 62a_100000230173_100000210202 [0,1,1,0,0,0|1,0,1]=4 1259 B9R0.35 CCNC(C)C(=O)OCC 2230a_100015525214_100011215307 [0,1,1,0,0,0|0,0,2]=4 1260 B9R0.35 CCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210202 [0,1,1,0,0,0|0,0,2]=4 1261 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [0,1,1,0,0,0|2,0,0]=4 1262 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [0,1,1,0,0,0|2,0,0]=4 1263 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [0,1,1,0,0,0|2,0,0]=4 1264 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [0,1,1,0,0,0|2,0,0]=4 1265 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [0,1,1,0,0,0|1,0,1]=4 1266 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [0,1,1,0,0,0|1,0,1]=4 1267 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [0,1,1,0,0,0|1,0,1]=4 1268 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [0,1,1,0,0,0|1,0,1]=4 1269 B9R0.35 CCOC(C)C(=O)CCF 1458a_100000739345_100011217306 [0,1,1,0,0,0|1,0,1]=4 1270 B9R0.35 CCOC(C)C(=O)CCO 1458a_100000739345_100000211926 [0,1,1,0,0,0|1,0,1]=4 1271 B9R0.35 CCSC(C)C(=O)CCF 1458a_100000230601_100011217306 [0,1,1,0,0,0|1,0,1]=4 1272 B9R0.35 CCSC(C)C(=O)CCO 1458a_100000230601_100000211926 [0,1,1,0,0,0|1,0,1]=4 1273 B9R0.35 CNNC(=O)/C(=N/OC)/C 22a_100016993582_100160996864 [0,1,1,0,0,0|2,0,0]=4 1274 B9R0.35 CO/N=C(\C)/C(=O)CC#N 1458a_100160996864_100011214920 [0,1,1,0,0,0|1,0,1]=4 1275 B9R0.35 CO/N=C(\C)/C(=O)CCF 1458a_100160996864_100011217306 [0,1,1,0,0,0|1,0,0]=3 1276 B9R0.35 CO/N=C(\C)/C(=O)CCO 1458a_100160996864_100000211926 [0,1,1,0,0,0|1,0,0]=3 1277 B9R0.60 CCCC(C)(C)C(=O)CC 1458a_100011215034_100000210202 [0,1,1,0,0,0|1,0,1]=4 1278 B9R0.60 CCOC(C)(C)C(=O)CC 1458a_100011458965_100000210202 [0,1,1,0,0,0|1,0,1]=4 1279 B9R0.1 CCC(=O)C=CCN(C)C 1458a_100000754359_100000210202 [0,1,1,0,0,0|2,0,0]=4 1280 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [0,1,1,0,0,0|1,0,1]=4 1281 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [0,1,1,0,0,0|1,0,1]=4 1282 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [0,1,1,0,0,0|1,0,1]=4 1283 B9R0.1 CCC(=O)COCC(C)C 1458a_100011223364_100000210202 [0,1,1,0,0,0|1,0,1]=4 1284 B9R0.1 CCC(=O)COCC(C)C 34a_100000725409_100000210624 [0,1,1,0,0,0|1,0,1]=4 1285 B9R0.1 CCC(=O)COCC(C)O 34a_100000725409_100011218427 [0,1,1,0,0,0|1,0,1]=4 1286 B9R0.1 CCC(=O)COC[C@@H](C)O 34a_100000725409_100009817552 [0,1,1,0,0,0|1,0,1]=4 1287 B9R0.1 CCC(=O)CSCC(C)C 62a_100000210624_100000747405 [0,1,1,0,0,0|1,0,1]=4 1288 B9R0.1 CCC(=O)CSCC(C)C 62a_100000747405_100000210760 [0,1,1,0,0,0|1,0,1]=4 1289 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [0,1,1,0,0,0|1,0,1]=4 1290 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [0,1,1,0,0,0|1,0,1]=4 1291 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [0,1,1,0,0,0|1,0,1]=4 1292 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [0,1,1,0,0,0|1,0,1]=4 1293 B9R0.1 CCC(=O)NCCC(C)C 11a_100000210545_100000210414 [0,1,1,0,0,0|2,0,0]=4 1294 B9R0.1 CCC(=O)NCCC(C)C 1626a_100000210545_100000210414 [0,1,1,0,0,0|2,0,0]=4 1295 B9R0.1 CCC(=O)NCCC(C)C 240690a_100000210545_100000210414 [0,1,1,0,0,0|2,0,0]=4 1296 B9R0.1 CCC(=O)NCCC(C)C 527a_100000210545_100000210414 [0,1,1,0,0,0|2,0,0]=4 1297 B9R0.1 CCC(=O)NCCC(C)O 240690a_200000755665_100000210414 [0,1,1,0,0,0|2,0,0]=4 1298 B9R0.1 CCC(=O)NCCC(C)O 527a_200000755665_100000210414 [0,1,1,0,0,0|2,0,0]=4 1299 B9R0.1 CCC(=O)NN=CC(C)C 4a_100000183195_100000210432 [0,1,1,0,0,0|1,0,1]=4 1300 B9R0.1 CCC(=O)NNCC(C)C 22a_100000696102_100000210414 [0,1,1,0,0,0|1,0,1]=4 1301 B9R0.1 CCC(=O)NNCC(C)O 22a_200000730056_100000210414 [0,1,1,0,0,0|1,0,1]=4 1302 B9R0.1 COC(=O)C=NNC(C)C 4a_100000741168_200011823558 [0,1,1,0,0,0|2,0,0]=4 1303 B9R0.5 C#CCC(=O)C=CCCC 1458a_100000212230_100000184674 [0,1,1,0,0,0|1,0,1]=4 1304 B9R0.5 C=CCC(=O)C=CCCC 1458a_100000212230_100000210623 [0,1,1,0,0,0|1,0,1]=4 1305 B9R0.5 CC/C=C(\C)/C=NNCC 4a_100000756455_100020678925 [0,1,1,0,0,0|2,0,0]=4 1306 B9R0.5 CCC=NNC(=O)CCC 4a_100000189770_100000210100 [0,1,1,0,0,0|1,0,1]=4 1307 B9R0.5 CCC=NNC(=O)COC 4a_100000216845_100000210100 [0,1,1,0,0,0|1,0,1]=4 1308 B9R0.5 CCCC#CC(=O)CCC 1458a_200011218047_100000210303 [0,1,1,0,0,0|1,0,1]=4 1309 B9R0.5 CCCC#CC(=O)CCF 1458a_200011218047_100011217306 [0,1,1,0,0,0|1,0,1]=4 1310 B9R0.5 CCCC#CC(=O)CCO 1458a_200011218047_100000211926 [0,1,1,0,0,0|1,0,1]=4 1311 B9R0.5 CCCC#CC(=O)NCC 240690a_100015525214_200011218047 [0,1,1,0,0,0|1,0,1]=4 1312 B9R0.5 CCCC(=O)C=CCOC 1458a_100016285016_100000210303 [0,1,1,0,0,0|2,0,0]=4 1313 B9R0.5 CCCC(=O)C=COCC 1458a_100016266692_100000210303 [0,1,1,0,0,0|2,0,0]=4 1314 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [0,1,1,0,0,0|1,0,1]=4 1315 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [0,1,1,0,0,0|1,0,1]=4 1316 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [0,1,1,0,0,0|1,0,1]=4 1317 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [0,1,1,0,0,0|2,0,0]=4 1318 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [0,1,1,0,0,0|2,0,0]=4 1319 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [0,1,1,0,0,0|2,0,0]=4 1320 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [0,1,1,0,0,0|2,0,0]=4 1321 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [0,1,1,0,0,0|2,0,0]=4 1322 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [0,1,1,0,0,0|2,0,0]=4 1323 B9R0.5 CCCC=CC(=O)CC#N 1458a_100000212230_100011214920 [0,1,1,0,0,0|1,0,1]=4 1324 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [0,1,1,0,0,0|1,0,0]=3 1325 B9R0.5 CCCC=CC(=O)CCF 1458a_100000212230_100011217306 [0,1,1,0,0,0|1,0,0]=3 1326 B9R0.5 CCCC=CC(=O)CCO 1458a_100000212230_100000211926 [0,1,1,0,0,0|1,0,0]=3 1327 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [0,1,1,0,0,0|1,0,0]=3 1328 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [0,1,1,0,0,0|1,0,0]=3 1329 B9R0.5 CCCC=CC(=O)NNC 22a_100016993582_100000212230 [0,1,1,0,0,0|2,0,0]=4 1330 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [0,1,1,0,0,0|1,0,1]=4 1331 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [0,1,1,0,0,0|1,0,1]=4 1332 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [0,1,1,0,0,0|1,0,1]=4 1333 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [0,1,1,0,0,0|1,0,1]=4 1334 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [0,1,1,0,0,0|1,0,1]=4 1335 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [0,1,1,0,0,0|1,0,1]=4 1336 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [0,1,1,0,0,0|1,0,1]=4 1337 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [0,1,1,0,0,0|1,0,1]=4 1338 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [0,1,1,0,0,0|1,0,1]=4 1339 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [0,1,1,0,0,0|1,0,1]=4 1340 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [0,1,1,0,0,0|1,0,1]=4 1341 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [0,1,1,0,0,0|1,0,1]=4 1342 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [0,1,1,0,0,0|1,0,1]=4 1343 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [0,1,1,0,0,0|1,0,1]=4 1344 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [0,1,1,0,0,0|1,0,1]=4 1345 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [0,1,1,0,0,0|1,0,1]=4 1346 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [0,1,1,0,0,0|1,0,1]=4 1347 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [0,1,1,0,0,0|1,0,1]=4 1348 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [0,1,1,0,0,0|2,0,0]=4 1349 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [0,1,1,0,0,0|2,0,0]=4 1350 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [0,1,1,0,0,0|2,0,0]=4 1351 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [0,1,1,0,0,0|2,0,0]=4 1352 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [0,1,1,0,0,0|2,0,0]=4 1353 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [0,1,1,0,0,0|2,0,0]=4 1354 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [0,1,1,0,0,0|2,0,0]=4 1355 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [0,1,1,0,0,0|2,0,0]=4 1356 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [0,1,1,0,0,0|2,0,0]=4 1357 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [0,1,1,0,0,0|2,0,0]=4 1358 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [0,1,1,0,0,0|2,0,0]=4 1359 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [0,1,1,0,0,0|2,0,0]=4 1360 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [0,1,1,0,0,0|2,0,0]=4 1361 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [0,1,1,0,0,0|2,0,0]=4 1362 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [0,1,1,0,0,0|2,0,0]=4 1363 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [0,1,1,0,0,0|2,0,0]=4 1364 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [0,1,1,0,0,0|2,0,0]=4 1365 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [0,1,1,0,0,0|2,0,0]=4 1366 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [0,1,1,0,0,0|2,0,0]=4 1367 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [0,1,1,0,0,0|2,0,0]=4 1368 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [0,1,1,0,0,0|2,0,0]=4 1369 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [0,1,1,0,0,0|2,0,0]=4 1370 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [0,1,1,0,0,0|2,0,0]=4 1371 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [0,1,1,0,0,0|2,0,0]=4 1372 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [0,1,1,0,0,0|2,0,0]=4 1373 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [0,1,1,0,0,0|2,0,0]=4 1374 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [0,1,1,0,0,0|2,0,0]=4 1375 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [0,1,1,0,0,0|2,0,0]=4 1376 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [0,1,1,0,0,0|2,0,0]=4 1377 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [0,1,1,0,0,0|2,0,0]=4 1378 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [0,1,1,0,0,0|2,0,0]=4 1379 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [0,1,1,0,0,0|2,0,0]=4 1380 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [0,1,1,0,0,0|2,0,0]=4 1381 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [0,1,1,0,0,0|2,0,0]=4 1382 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [0,1,1,0,0,0|2,0,0]=4 1383 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [0,1,1,0,0,0|0,0,2]=4 1384 B9R0.5 CCCNNC(=O)CCC 22a_100000740057_100000211992 [0,1,1,0,0,0|1,0,1]=4 1385 B9R0.5 CCCNNC(=O)CCO 22a_100000740057_100011216618 [0,1,1,0,0,0|1,0,1]=4 1386 B9R0.5 CCCNNC(=O)COC 22a_100000740057_100000210968 [0,1,1,0,0,0|1,0,1]=4 1387 B9R0.5 CCCNNC(=O)CSC 22a_100000740057_100000184570 [0,1,1,0,0,0|1,0,1]=4 1388 B9R0.5 CCCNNC(=O)NCC 273464a_100015525214_100000740057 [0,1,1,0,0,0|1,0,1]=4 1389 B9R0.5 CCCNNC(=O)NCC 512a_100000740057_100015525214 [0,1,1,0,0,0|1,0,1]=4 1390 B9R0.5 CCCNNC(=O)NCC 512a_100015525214_100000740057 [0,1,1,0,0,0|1,0,1]=4 1391 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [0,1,1,0,0,0|1,0,1]=4 1392 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [0,1,1,0,0,0|1,0,1]=4 1393 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [0,1,1,0,0,0|1,0,1]=4 1394 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [0,1,1,0,0,0|1,0,1]=4 1395 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [0,1,1,0,0,0|1,0,1]=4 1396 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [0,1,1,0,0,0|1,0,1]=4 1397 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [0,1,1,0,0,0|1,0,1]=4 1398 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [0,1,1,0,0,0|1,0,1]=4 1399 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [0,1,1,0,0,0|1,0,1]=4 1400 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [0,1,1,0,0,0|1,0,1]=4 1401 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [0,1,1,0,0,0|1,0,1]=4 1402 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [0,1,1,0,0,0|1,0,1]=4 1403 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [0,1,1,0,0,0|1,0,1]=4 1404 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [0,1,1,0,0,0|1,0,1]=4 1405 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [0,1,1,0,0,0|1,0,1]=4 1406 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [0,1,1,0,0,0|1,0,1]=4 1407 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [0,1,1,0,0,0|1,0,1]=4 1408 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [0,1,1,0,0,0|1,0,1]=4 1409 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [0,1,1,0,0,0|1,0,1]=4 1410 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [0,1,1,0,0,0|1,0,1]=4 1411 B9R0.5 CCNC(=O)C=CCOC 11a_100015525214_100016285016 [0,1,1,0,0,0|2,0,0]=4 1412 B9R0.5 CCNC(=O)C=CCOC 240690a_100015525214_100016285016 [0,1,1,0,0,0|2,0,0]=4 1413 B9R0.5 CCNC(=O)C=COCC 11a_100015525214_100016266692 [0,1,1,0,0,0|2,0,0]=4 1414 B9R0.5 CCNC(=O)C=COCC 240690a_100015525214_100016266692 [0,1,1,0,0,0|2,0,0]=4 1415 B9R0.5 CCNC(=O)NCCCF 2708a_100015189416_100015525214 [0,1,1,0,0,0|2,0,0]=4 1416 B9R0.5 CCNC(=O)NCCCF 2708a_100015525214_100015189416 [0,1,1,0,0,0|2,0,0]=4 1417 B9R0.5 CCNC(=O)NCCCF 273464a_100015189416_100015525214 [0,1,1,0,0,0|2,0,0]=4 1418 B9R0.5 CCNC(=O)NCCCF 273464a_100015525214_100015189416 [0,1,1,0,0,0|2,0,0]=4 1419 B9R0.5 CCNC(=O)NCCCF 512a_100015189416_100015525214 [0,1,1,0,0,0|2,0,0]=4 1420 B9R0.5 CCNC(=O)NCCCF 512a_100015525214_100015189416 [0,1,1,0,0,0|2,0,0]=4 1421 B9R0.5 CCNC(=O)NCCCO 2708a_100015525214_100000182051 [0,1,1,0,0,0|2,0,0]=4 1422 B9R0.5 CCNC(=O)NCCCO 273464a_100000182051_100015525214 [0,1,1,0,0,0|2,0,0]=4 1423 B9R0.5 CCNC(=O)NCCCO 273464a_100015525214_100000182051 [0,1,1,0,0,0|2,0,0]=4 1424 B9R0.5 CCNC(=O)NCCCO 512a_100015525214_100000182051 [0,1,1,0,0,0|2,0,0]=4 1425 B9R0.5 CCNN=CC(=O)OCC 4a_100000756455_100000742314 [0,1,1,0,0,0|1,0,0]=3 1426 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [0,1,1,0,0,0|2,0,0]=4 1427 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [0,1,1,0,0,0|2,0,0]=4 1428 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [0,1,1,0,0,0|2,0,0]=4 1429 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [0,1,1,0,0,0|2,0,0]=4 1430 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [0,1,1,0,0,0|2,0,0]=4 1431 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [0,1,1,0,0,0|2,0,0]=4 1432 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [0,1,1,0,0,0|2,0,0]=4 1433 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [0,1,1,0,0,0|2,0,0]=4 1434 B9R0.5 CCOC=CC(=O)CCF 1458a_100016266692_100011217306 [0,1,1,0,0,0|2,0,0]=4 1435 B9R0.5 CCOC=CC(=O)CCO 1458a_100016266692_100000211926 [0,1,1,0,0,0|2,0,0]=4 1436 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [0,1,1,0,0,0|1,0,1]=4 1437 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [0,1,1,0,0,0|1,0,1]=4 1438 B9R0.5 COCC(=O)NCCCF 11a_100015189416_100000210968 [0,1,1,0,0,0|2,0,0]=4 1439 B9R0.5 COCC(=O)NCCCF 1626a_100015189416_100000210968 [0,1,1,0,0,0|2,0,0]=4 1440 B9R0.5 COCC(=O)NCCCF 240690a_100015189416_100000210968 [0,1,1,0,0,0|2,0,0]=4 1441 B9R0.5 COCC(=O)NCCCF 527a_100015189416_100000210968 [0,1,1,0,0,0|2,0,0]=4 1442 B9R0.5 COCC(=O)NCCCO 240690a_100000182051_100000210968 [0,1,1,0,0,0|2,0,0]=4 1443 B9R0.5 COCC(=O)NCCCO 527a_100000182051_100000210968 [0,1,1,0,0,0|2,0,0]=4 1444 B9R0.5 COCC=CC(=O)CCF 1458a_100016285016_100011217306 [0,1,1,0,0,0|2,0,0]=4 1445 B9R0.5 COCC=CC(=O)CCO 1458a_100016285016_100000211926 [0,1,1,0,0,0|2,0,0]=4 1446 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [0,1,1,0,0,0|1,0,1]=4 1447 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [0,1,1,0,0,0|1,0,1]=4 1448 B9R0.5 CSCC(=O)NCCCF 11a_100015189416_100000184570 [0,1,1,0,0,0|2,0,0]=4 1449 B9R0.5 CSCC(=O)NCCCF 1626a_100015189416_100000184570 [0,1,1,0,0,0|2,0,0]=4 1450 B9R0.5 CSCC(=O)NCCCF 240690a_100015189416_100000184570 [0,1,1,0,0,0|2,0,0]=4 1451 B9R0.5 CSCC(=O)NCCCF 527a_100015189416_100000184570 [0,1,1,0,0,0|2,0,0]=4 1452 B9R0.5 CSCC(=O)NCCCO 240690a_100000182051_100000184570 [0,1,1,0,0,0|2,0,0]=4 1453 B9R0.5 CSCC(=O)NCCCO 527a_100000182051_100000184570 [0,1,1,0,0,0|2,0,0]=4 1454 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [0,1,1,0,0,0|1,0,1]=4 1455 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [0,1,1,0,0,0|1,0,1]=4 1456 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [0,1,1,0,0,0|1,0,1]=4 1457 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [0,1,1,0,0,0|1,0,1]=4 1458 B9R0.5 O=C(CCO)NCCCF 240690a_100015189416_100011216618 [0,1,1,0,0,0|2,0,0]=4 1459 B9R0.5 O=C(CCO)NCCCO 240690a_100000182051_100011216618 [0,1,1,0,0,0|2,0,0]=4 1460 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [0,1,1,0,0,0|1,0,1]=4 1461 B9R0.24 CCC(=O)COC(C)CC 34a_100000725409_100011215416 [0,1,1,0,0,0|1,0,1]=4 1462 B9R0.24 CCC(=O)COC(C)CC 7a_100000210228_100000747405 [0,1,1,0,0,0|1,0,1]=4 1463 B9R0.24 CCC(=O)CSC(C)CC 62a_100000747405_100000758301 [0,1,1,0,0,0|1,0,1]=4 1464 B9R0.24 CCC(=O)CSC(C)CC 62a_100000758301_100000747405 [0,1,1,0,0,0|1,0,1]=4 1465 B9R0.24 CCC(=O)NCC(C)CC 11a_100020588543_100000210414 [0,1,1,0,0,0|2,0,0]=4 1466 B9R0.24 CCC(=O)NCC(C)CC 1626a_100020588543_100000210414 [0,1,1,0,0,0|2,0,0]=4 1467 B9R0.24 CCC(=O)NCC(C)CC 240690a_100020588543_100000210414 [0,1,1,0,0,0|2,0,0]=4 1468 B9R0.24 CCC(=O)NCC(C)CC 527a_100020588543_100000210414 [0,1,1,0,0,0|2,0,0]=4 1469 B9R0.24 CCC(=O)NCC(C)CO 240690a_100000744482_100000210414 [0,1,1,0,0,0|2,0,0]=4 1470 B9R0.24 CCC(=O)NCC(C)CO 527a_100000744482_100000210414 [0,1,1,0,0,0|2,0,0]=4 1471 B9R0.24 CCC(=O)NCC(O)CC 11a_100011218483_100000210414 [0,1,1,0,0,0|2,0,0]=4 1472 B9R0.24 CCC(=O)NCC(O)CC 240690a_100011218483_100000210414 [0,1,1,0,0,0|2,0,0]=4 1473 B9R0.24 CCC(=O)NCC(O)CC 527a_100011218483_100000210414 [0,1,1,0,0,0|2,0,0]=4 1474 B9R0.24 CCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210414 [0,1,1,0,0,0|2,0,0]=4 1475 B9R0.24 CCC(=O)NC[C@@H](F)CO 527a_100015665980_100000210414 [0,1,1,0,0,0|2,0,0]=4 1476 B9R0.24 CCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210414 [0,1,1,0,0,0|2,0,0]=4 1477 B9R0.24 CCC(=O)NC[C@H](O)CO 527a_100020644852_100000210414 [0,1,1,0,0,0|2,0,0]=4 1478 B9R0.24 CCC(=O)NNC(C)CC 22a_100000718999_100000210414 [0,1,1,0,0,0|1,0,1]=4 1479 B9R0.34 C=C(CCC)CC(=O)CC 1458a_100000138376_100000210202 [0,1,1,0,0,0|1,0,1]=4 1480 B9R0.34 CCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210414 [0,1,1,0,0,0|2,0,0]=4 1481 B9R0.34 CCC(=O)N[C@H](C)CCO 527a_100000706166_100000210414 [0,1,1,0,0,0|2,0,0]=4 1482 B9R0.34 CCCC(=CC(=O)CC)C 1458a_100020676950_100000210202 [0,1,1,0,0,0|1,0,0]=3 1483 B9R0.34 CCCC(=CC(=O)CF)C 1458a_100020676950_100015361967 [0,1,1,0,0,0|2,0,0]=4 1484 B9R0.34 CCCC(=CC(=O)NC)C 11a_106832991635_100020676950 [0,1,1,0,0,0|2,0,0]=4 1485 B9R0.34 CCCC(=CC(=O)NC)C 1626a_100102657272_100020676950 [0,1,1,0,0,0|2,0,0]=4 1486 B9R0.34 CCCC(=CC(=O)NC)C 240690a_100102657272_100020676950 [0,1,1,0,0,0|2,0,0]=4 1487 B9R0.34 CCCC(=O)C=C(C)CC 1458a_100020758463_100000210303 [0,1,1,0,0,0|2,0,0]=4 1488 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [0,1,1,0,0,0|1,0,1]=4 1489 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [0,1,1,0,0,0|1,0,1]=4 1490 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000210414_100011216630 [0,1,1,0,0,0|1,0,1]=4 1491 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000748435_100000210202 [0,1,1,0,0,0|1,0,1]=4 1492 B9R0.34 CCCC(C)NC(=O)CC 11a_100000741246_100000210414 [0,1,1,0,0,0|2,0,0]=4 1493 B9R0.34 CCCC(C)NC(=O)CC 1626a_100000741246_100000210414 [0,1,1,0,0,0|2,0,0]=4 1494 B9R0.34 CCCC(C)NC(=O)CC 240690a_100000741246_100000210414 [0,1,1,0,0,0|2,0,0]=4 1495 B9R0.34 CCCC(C)NC(=O)CC 527a_100000741246_100000210414 [0,1,1,0,0,0|2,0,0]=4 1496 B9R0.34 CCCN(C)CC(=O)CC 269982a_100000747261_100000747405 [0,1,1,0,0,0|0,0,2]=4 1497 B9R0.34 CCCS(=O)CC(=O)CC 1458a_100011387404_100000210202 [0,1,1,0,0,0|1,0,1]=4 1498 B9R0.46 C#CCCCCC(=O)CC 1458a_100000210414_100010269958 [0,1,1,0,0,0|1,0,1]=4 1499 B9R0.46 C#CCCCCC(=O)CC 1458a_100000696528_100000210202 [0,1,1,0,0,0|1,0,1]=4 1500 B9R0.46 C#CCCCNC(=O)CC 11a_100000718082_100000210414 [0,1,1,0,0,0|2,0,0]=4 1501 B9R0.46 C#CCCCNC(=O)CC 1626a_100000718082_100000210414 [0,1,1,0,0,0|2,0,0]=4 1502 B9R0.46 C#CCCCNC(=O)CC 240690a_100000718082_100000210414 [0,1,1,0,0,0|2,0,0]=4 1503 B9R0.46 C#CCCCNC(=O)CC 527a_100000718082_100000210414 [0,1,1,0,0,0|2,0,0]=4 1504 B9R0.46 C/C=C(\C)/C=NNCCC 4a_100000740057_100020587592 [0,1,1,0,0,0|1,0,1]=4 1505 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [0,1,1,0,0,0|1,0,1]=4 1506 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [0,1,1,0,0,0|1,0,1]=4 1507 B9R0.46 C=CCCCNC(=O)CC 11a_100000700776_100000210414 [0,1,1,0,0,0|2,0,0]=4 1508 B9R0.46 C=CCCCNC(=O)CC 1626a_100000700776_100000210414 [0,1,1,0,0,0|2,0,0]=4 1509 B9R0.46 C=CCCCNC(=O)CC 240690a_100000700776_100000210414 [0,1,1,0,0,0|2,0,0]=4 1510 B9R0.46 C=CCCCNC(=O)CC 527a_100000700776_100000210414 [0,1,1,0,0,0|2,0,0]=4 1511 B9R0.46 CCC(=O)CCCCC#N 1458a_100000210414_100000211819 [0,1,1,0,0,0|0,0,2]=4 1512 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [0,1,1,0,0,0|1,0,1]=4 1513 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [0,1,1,0,0,0|1,0,1]=4 1514 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [0,1,1,0,0,0|1,0,1]=4 1515 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [0,1,1,0,0,0|1,0,1]=4 1516 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [0,1,1,0,0,0|1,0,1]=4 1517 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [0,1,1,0,0,0|1,0,1]=4 1518 B9R0.46 CCC(=O)COCCCF 34a_100000725409_100011934791 [0,1,1,0,0,0|1,0,1]=4 1519 B9R0.46 CCC(=O)COCCCO 34a_100000725409_100000230001 [0,1,1,0,0,0|1,0,1]=4 1520 B9R0.46 CCC(=O)COCCOC 1458a_100000211095_100000210202 [0,1,1,0,0,0|1,0,1]=4 1521 B9R0.46 CCC(=O)COCCOC 34a_100000725409_100011201679 [0,1,1,0,0,0|1,0,1]=4 1522 B9R0.46 CCC(=O)COCCSC 34a_100000725409_100000212216 [0,1,1,0,0,0|1,0,1]=4 1523 B9R0.46 CCC(=O)COCCSC 7a_100000230434_100000747405 [0,1,1,0,0,0|1,0,1]=4 1524 B9R0.46 CCC(=O)CSCCCF 62a_100000747405_100011934791 [0,1,1,0,0,0|1,0,1]=4 1525 B9R0.46 CCC(=O)CSCCCF 62a_100011934791_100000747405 [0,1,1,0,0,0|1,0,1]=4 1526 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [0,1,1,0,0,0|1,0,1]=4 1527 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [0,1,1,0,0,0|1,0,1]=4 1528 B9R0.46 CCC(=O)CSCCOC 62a_100000233755_100000747405 [0,1,1,0,0,0|1,0,1]=4 1529 B9R0.46 CCC(=O)CSCCOC 62a_100000747405_100000233755 [0,1,1,0,0,0|1,0,1]=4 1530 B9R0.46 CCC(=O)CSCCSC 62a_100000212216_100000747405 [0,1,1,0,0,0|1,0,1]=4 1531 B9R0.46 CCC(=O)CSCCSC 62a_100000747405_100000751147 [0,1,1,0,0,0|1,0,1]=4 1532 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [0,1,1,0,0,0|1,0,1]=4 1533 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [0,1,1,0,0,0|1,0,1]=4 1534 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [0,1,1,0,0,0|2,0,0]=4 1535 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [0,1,1,0,0,0|2,0,0]=4 1536 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [0,1,1,0,0,0|2,0,0]=4 1537 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [0,1,1,0,0,0|2,0,0]=4 1538 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [0,1,1,0,0,0|2,0,0]=4 1539 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [0,1,1,0,0,0|2,0,0]=4 1540 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [0,1,1,0,0,0|2,0,0]=4 1541 B9R0.46 CCC(=O)NCCNCF 34a_100132302217_100015361967 [0,1,1,0,0,0|2,0,0]=4 1542 B9R0.46 CCC(=O)NCCOCF 34a_200000158885_100015361967 [0,1,1,0,0,0|2,0,0]=4 1543 B9R0.46 CCC(=O)NCCOCF 7a_200000158885_100015361967 [0,1,1,0,0,0|2,0,0]=4 1544 B9R0.46 CCC(=O)NNCCOC 22a_100000741390_100000210414 [0,1,1,0,0,0|1,0,1]=4 1545 B9R0.46 CCC(=O)OCCOCF 7a_200000031056_100015361967 [0,1,1,0,0,0|2,0,0]=4 1546 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [0,1,1,0,0,0|1,0,0]=3 1547 B9R0.46 CCC/C=C/CC(=O)CF 1458a_200016266809_100015361967 [0,1,1,0,0,0|2,0,0]=4 1548 B9R0.46 CCC/C=C/CC(=O)NC 11a_106832991635_200016266809 [0,1,1,0,0,0|2,0,0]=4 1549 B9R0.46 CCC/C=C/CC(=O)NC 1626a_100102657272_200016266809 [0,1,1,0,0,0|2,0,0]=4 1550 B9R0.46 CCC/C=C/CC(=O)NC 240690a_100102657272_200016266809 [0,1,1,0,0,0|2,0,0]=4 1551 B9R0.46 CCC/C=C/CC(=O)NC 527a_100102657272_200016266809 [0,1,1,0,0,0|2,0,0]=4 1552 B9R0.46 CCCC=NNC(=O)CC 4a_100000183195_100000185831 [0,1,1,0,0,0|1,0,0]=3 1553 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [0,1,1,0,0,0|1,0,0]=3 1554 B9R0.46 CCCCC=CC(=O)CF 1458a_100016266645_100015361967 [0,1,1,0,0,0|2,0,0]=4 1555 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [0,1,1,0,0,0|2,0,0]=4 1556 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [0,1,1,0,0,0|2,0,0]=4 1557 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [0,1,1,0,0,0|2,0,0]=4 1558 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [0,1,1,0,0,0|1,0,1]=4 1559 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [0,1,1,0,0,0|1,0,1]=4 1560 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [0,1,1,0,0,0|1,0,1]=4 1561 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [0,1,1,0,0,0|1,0,1]=4 1562 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [0,1,1,0,0,0|1,0,1]=4 1563 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [0,1,1,0,0,0|1,0,1]=4 1564 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [0,1,1,0,0,0|0,0,2]=4 1565 B9R0.46 CCCCNNC(=O)CC 22a_100025702795_100000210414 [0,1,1,0,0,0|1,0,1]=4 1566 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [0,1,1,0,0,0|1,0,1]=4 1567 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [0,1,1,0,0,0|1,0,1]=4 1568 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [0,1,1,0,0,0|1,0,1]=4 1569 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [0,1,1,0,0,0|1,0,1]=4 1570 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [0,1,1,0,0,0|1,0,1]=4 1571 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [0,1,1,0,0,0|1,0,1]=4 1572 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [0,1,1,0,0,0|1,0,1]=4 1573 B9R0.46 CCCNN=CC(=O)OC 4a_100000740057_200011823558 [0,1,1,0,0,0|1,0,0]=3 1574 B9R0.46 CCCNN=CC(C)CC 4a_100000740057_100000243153 [0,1,1,0,0,0|1,0,1]=4 1575 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [0,1,1,0,0,0|1,0,1]=4 1576 B9R0.46 CCNC/C=C/C(=O)OC 2230a_100015525214_100000742655 [0,1,1,0,0,0|2,0,0]=4 1577 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [0,1,1,0,0,0|2,0,0]=4 1578 B9R0.46 CCNN=CCC(=O)OC 4a_100000756455_200011552997 [0,1,1,0,0,0|2,0,0]=4 1579 B9R0.46 CCOC/C=C/C(=O)OC 34a_100121572206_100000742655 [0,1,1,0,0,0|2,0,0]=4 1580 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [0,1,1,0,0,0|1,0,1]=4 1581 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [0,1,1,0,0,0|2,0,0]=4 1582 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [0,1,1,0,0,0|2,0,0]=4 1583 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [0,1,1,0,0,0|2,0,0]=4 1584 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [0,1,1,0,0,0|2,0,0]=4 1585 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [0,1,1,0,0,0|2,0,0]=4 1586 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [0,1,1,0,0,0|2,0,0]=4 1587 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [0,1,1,0,0,0|2,0,0]=4 1588 B9R0.46 CCOCSCC(=O)CC 62a_100000739092_100000747405 [0,1,1,0,0,0|1,0,1]=4 1589 B9R0.46 CCOCSCC(=O)CC 62a_100000747405_100000739092 [0,1,1,0,0,0|1,0,1]=4 1590 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000210202_100000742655 [0,1,1,0,0,0|2,0,0]=4 1591 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000742655_100000210202 [0,1,1,0,0,0|2,0,0]=4 1592 B9R0.46 CCSCCNC(=O)CC 11a_100000106463_100000210414 [0,1,1,0,0,0|2,0,0]=4 1593 B9R0.46 CCSCCNC(=O)CC 1626a_100000106463_100000210414 [0,1,1,0,0,0|2,0,0]=4 1594 B9R0.46 CCSCCNC(=O)CC 240690a_100000106463_100000210414 [0,1,1,0,0,0|2,0,0]=4 1595 B9R0.46 CCSCCNC(=O)CC 527a_100000106463_100000210414 [0,1,1,0,0,0|2,0,0]=4 1596 B9R0.46 COC(=O)C=NNCCO 4a_100000210001_200011823558 [0,1,1,0,0,0|2,0,0]=4 1597 B9R0.47 CC(C)C(=O)CCCCF 1458a_100000210198_100000729493 [0,1,1,0,0,0|1,0,1]=4 1598 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000210198_100000210776 [0,1,1,0,0,0|1,0,1]=4 1599 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000695505_100000210206 [0,1,1,0,0,0|1,0,1]=4 1600 B9R0.47 CC(C)C(=O)NCCCF 11a_100015189416_100000210198 [0,1,1,0,0,0|2,0,0]=4 1601 B9R0.47 CC(C)C(=O)NCCCF 1626a_100015189416_100000210198 [0,1,1,0,0,0|2,0,0]=4 1602 B9R0.47 CC(C)C(=O)NCCCF 240690a_100015189416_100000210198 [0,1,1,0,0,0|2,0,0]=4 1603 B9R0.47 CC(C)C(=O)NCCCF 527a_100015189416_100000210198 [0,1,1,0,0,0|2,0,0]=4 1604 B9R0.47 CC(C)C(=O)NCCCO 240690a_100000182051_100000210198 [0,1,1,0,0,0|2,0,0]=4 1605 B9R0.47 CC(C)C(=O)NCCCO 527a_100000182051_100000210198 [0,1,1,0,0,0|2,0,0]=4 1606 B9R0.47 CC(F)C(=O)CCCCF 1458a_100000062450_100000729493 [0,1,1,0,0,0|1,0,1]=4 1607 B9R0.47 CC(F)C(=O)CCCCO 1458a_100000062450_100000210776 [0,1,1,0,0,0|1,0,1]=4 1608 B9R0.47 CC(F)C(=O)NCCCF 11a_100015189416_100000062450 [0,1,1,0,0,0|2,0,0]=4 1609 B9R0.47 CC(F)C(=O)NCCCF 1626a_100015189416_100000062450 [0,1,1,0,0,0|2,0,0]=4 1610 B9R0.47 CC(F)C(=O)NCCCF 240690a_100015189416_100000062450 [0,1,1,0,0,0|2,0,0]=4 1611 B9R0.47 CC(F)C(=O)NCCCF 527a_100015189416_100000062450 [0,1,1,0,0,0|2,0,0]=4 1612 B9R0.47 CC(F)C(=O)NCCCO 240690a_100000182051_100000062450 [0,1,1,0,0,0|2,0,0]=4 1613 B9R0.47 CC(F)C(=O)NCCCO 527a_100000182051_100000062450 [0,1,1,0,0,0|2,0,0]=4 1614 B9R0.47 CCC=NNC(=O)C(C)C 4a_100000184118_100000210100 [0,1,1,0,0,0|1,0,1]=4 1615 B9R0.47 CCCC#CC(=O)C(C)C 1458a_200011218047_100000210206 [0,1,1,0,0,0|1,0,1]=4 1616 B9R0.47 CCCC=CC(=O)C(C)C 1458a_100000212230_100000210206 [0,1,1,0,0,0|1,0,0]=3 1617 B9R0.47 CCCC=CC(=O)N(C)C 11a_100102631434_100000212230 [0,1,1,0,0,0|2,0,0]=4 1618 B9R0.47 CCCC=CC(=O)N(C)C 1626a_100102631434_100000212230 [0,1,1,0,0,0|2,0,0]=4 1619 B9R0.47 CCCC=CC(=O)N(C)C 240690a_100102631434_100000212230 [0,1,1,0,0,0|2,0,0]=4 1620 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000210198_100000210326 [0,1,1,0,0,0|1,0,1]=4 1621 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000212188_100000210206 [0,1,1,0,0,0|1,0,1]=4 1622 B9R0.47 CCCCCC(=O)C(C)F 1458a_100000062450_100000210326 [0,1,1,0,0,0|1,0,1]=4 1623 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [0,1,1,0,0,0|1,0,1]=4 1624 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [0,1,1,0,0,0|1,0,1]=4 1625 B9R0.47 CCCCNC(=O)C(C)C 11a_100000102301_100000210198 [0,1,1,0,0,0|2,0,0]=4 1626 B9R0.47 CCCCNC(=O)C(C)C 1626a_100000102301_100000210198 [0,1,1,0,0,0|2,0,0]=4 1627 B9R0.47 CCCCNC(=O)C(C)C 240690a_100000102301_100000210198 [0,1,1,0,0,0|2,0,0]=4 1628 B9R0.47 CCCCNC(=O)C(C)C 527a_100000102301_100000210198 [0,1,1,0,0,0|2,0,0]=4 1629 B9R0.47 CCCCNC(=O)C(C)F 11a_100000102301_100000062450 [0,1,1,0,0,0|2,0,0]=4 1630 B9R0.47 CCCCNC(=O)C(C)F 1626a_100000102301_100000062450 [0,1,1,0,0,0|2,0,0]=4 1631 B9R0.47 CCCCNC(=O)C(C)F 240690a_100000102301_100000062450 [0,1,1,0,0,0|2,0,0]=4 1632 B9R0.47 CCCCNC(=O)C(C)F 527a_100000102301_100000062450 [0,1,1,0,0,0|2,0,0]=4 1633 B9R0.47 CCCCNC(=O)[C@@H](C)O 240690a_100000102301_100000717761 [0,1,1,0,0,0|2,0,0]=4 1634 B9R0.47 CCCCNC(=O)[C@H](C)O 1626a_100000102301_217856618621 [0,1,1,0,0,0|2,0,0]=4 1635 B9R0.47 CCCCNC(=O)[C@H](C)O 240690a_100000102301_217856618621 [0,1,1,0,0,0|2,0,0]=4 1636 B9R0.47 CCCNNC(=O)C(C)C 22a_100000740057_100000210198 [0,1,1,0,0,0|1,0,1]=4 1637 B9R0.47 CCCNNC(=O)C(C)F 22a_100000740057_100000062450 [0,1,1,0,0,0|1,0,1]=4 1638 B9R0.47 CCCNNC(=O)[C@@H](C)O 22a_100000740057_100000717761 [0,1,1,0,0,0|1,0,1]=4 1639 B9R0.47 CCCNNC(=O)[C@H](C)O 22a_100000740057_217856618621 [0,1,1,0,0,0|1,0,1]=4 1640 B9R0.47 CCCOCC(=O)C(C)C 1458a_100000745993_100000210206 [0,1,1,0,0,0|1,0,1]=4 1641 B9R0.47 CCCOCC(=O)C(C)C 34a_100000210258_100000753385 [0,1,1,0,0,0|1,0,1]=4 1642 B9R0.47 CCCSCC(=O)C(C)C 1458a_100000217233_100000210206 [0,1,1,0,0,0|1,0,1]=4 1643 B9R0.47 CCCSCC(=O)C(C)C 62a_100000210303_100000753385 [0,1,1,0,0,0|1,0,1]=4 1644 B9R0.47 CCCSCC(=O)C(C)C 62a_100000753385_100000210303 [0,1,1,0,0,0|1,0,1]=4 1645 B9R0.47 CCOC=CC(=O)C(C)C 1458a_100016266692_100000210206 [0,1,1,0,0,0|2,0,0]=4 1646 B9R0.47 COCC=CC(=O)C(C)C 1458a_100016285016_100000210206 [0,1,1,0,0,0|2,0,0]=4 1647 B9R0.47 C[C@@H](O)C(=O)CCCCF 1458a_100000717761_100000729493 [0,1,1,0,0,0|1,0,1]=4 1648 B9R0.47 C[C@@H](O)C(=O)CCCCO 1458a_100000717761_100000210776 [0,1,1,0,0,0|1,0,1]=4 1649 B9R0.47 C[C@@H](O)C(=O)NCCCF 240690a_100015189416_100000717761 [0,1,1,0,0,0|2,0,0]=4 1650 B9R0.47 C[C@@H](O)C(=O)NCCCO 240690a_100000182051_100000717761 [0,1,1,0,0,0|2,0,0]=4 1651 B9R0.47 C[C@H](O)C(=O)CCCCF 1458a_217856618621_100000729493 [0,1,1,0,0,0|1,0,1]=4 1652 B9R0.47 C[C@H](O)C(=O)CCCCO 1458a_217856618621_100000210776 [0,1,1,0,0,0|1,0,1]=4 1653 B9R0.47 C[C@H](O)C(=O)NCCCF 1626a_100015189416_217856618621 [0,1,1,0,0,0|2,0,0]=4 1654 B9R0.47 C[C@H](O)C(=O)NCCCF 240690a_100015189416_217856618621 [0,1,1,0,0,0|2,0,0]=4 1655 B9R0.47 C[C@H](O)C(=O)NCCCO 240690a_100000182051_217856618621 [0,1,1,0,0,0|2,0,0]=4 1656 B9R0.29 CCC(=O)C(CC)N(C)C 1458a_100000689100_100000210202 [0,1,1,0,0,0|0,0,2]=4 1657 B9R0.29 CCC(=O)N(CC)C(C)C 11a_100000223864_100000210414 [0,1,1,0,0,0|2,0,0]=4 1658 B9R0.29 CCC(=O)N(CC)C(C)C 1626a_100000223864_100000210414 [0,1,1,0,0,0|2,0,0]=4 1659 B9R0.29 CCC(=O)N(CC)C(C)C 240690a_100000223864_100000210414 [0,1,1,0,0,0|2,0,0]=4 1660 B9R0.29 CCC(=O)N(CC)C(C)C 527a_100000223864_100000210414 [0,1,1,0,0,0|2,0,0]=4 1661 B9R0.41 CCC(CC)C(=O)C(C)C 1458a_100000210198_100000210505 [0,1,1,0,0,0|1,0,1]=4 1662 B9R0.41 CCC(CC)C(=O)C(C)C 1458a_100000211163_100000210206 [0,1,1,0,0,0|1,0,1]=4 1663 B9R0.41 CCC(CC)C(=O)C(C)F 1458a_100000062450_100000210505 [0,1,1,0,0,0|1,0,1]=4 1664 B9R0.41 CCC(CC)C(=O)[C@@H](C)O 1458a_100000717761_100000210505 [0,1,1,0,0,0|1,0,1]=4 1665 B9R0.41 CCC(CC)C(=O)[C@H](C)O 1458a_217856618621_100000210505 [0,1,1,0,0,0|1,0,1]=4 1666 B9R0.41 CCC(OC)C(=O)C(C)C 1458a_100000747056_100000210206 [0,1,1,0,0,0|1,0,1]=4 1667 B9R0.41 CCN(CC)C(=O)C(C)C 11a_100000724800_100000210198 [0,1,1,0,0,0|2,0,0]=4 1668 B9R0.41 CCN(CC)C(=O)C(C)C 1626a_100000724800_100000210198 [0,1,1,0,0,0|2,0,0]=4 1669 B9R0.41 CCN(CC)C(=O)C(C)C 240690a_100000724800_100000210198 [0,1,1,0,0,0|2,0,0]=4 1670 B9R0.41 CCN(CC)C(=O)C(C)C 527a_100000724800_100000210198 [0,1,1,0,0,0|2,0,0]=4 1671 B9R0.41 CCN(CC)C(=O)C(C)F 11a_100000724800_100000062450 [0,1,1,0,0,0|2,0,0]=4 1672 B9R0.41 CCN(CC)C(=O)C(C)F 1626a_100000724800_100000062450 [0,1,1,0,0,0|2,0,0]=4 1673 B9R0.41 CCN(CC)C(=O)C(C)F 240690a_100000724800_100000062450 [0,1,1,0,0,0|2,0,0]=4 1674 B9R0.41 CCN(CC)C(=O)C(C)F 527a_100000724800_100000062450 [0,1,1,0,0,0|2,0,0]=4 1675 B9R0.41 CCN(CC)C(=O)[C@@H](C)O 240690a_100000724800_100000717761 [0,1,1,0,0,0|2,0,0]=4 1676 B9R0.41 CCN(CC)C(=O)[C@H](C)O 1626a_100000724800_217856618621 [0,1,1,0,0,0|2,0,0]=4 1677 B9R0.41 CCN(CC)C(=O)[C@H](C)O 240690a_100000724800_217856618621 [0,1,1,0,0,0|2,0,0]=4 1678 B9R0.69 CCC(=O)C(C)(CC)CC 1458a_100000210414_100009817345 [0,1,1,0,0,0|1,0,1]=4 1679 B9R0.69 CCC(=O)C(C)(CC)CC 1458a_100000760562_100000210202 [0,1,1,0,0,0|1,0,1]=4 1680 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [1,1,0,0,0,0|1,0,1]=4 1681 B9R1.35 CC(=O)N1CCC(C1)O 240690a_100011215560_100015343762 [1,1,0,0,0,0|2,0,0]=4 1682 B9R1.35 CC(=O)N1CCC(C1)O 527a_100011215560_100103153847 [1,1,0,0,0,0|2,0,0]=4 1683 B9R1.35 CC(=O)N1CC[C@@H](C1)F 11a_100015203821_100015343762 [1,1,0,0,0,0|2,0,0]=4 1684 B9R1.35 CC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100015343762 [1,1,0,0,0,0|2,0,0]=4 1685 B9R1.35 CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100015343762 [1,1,0,0,0,0|2,0,0]=4 1686 B9R1.35 CC(=O)N1CC[C@@H](C1)F 527a_100015203821_100103153847 [1,1,0,0,0,0|2,0,0]=4 1687 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [1,1,0,0,0,0|2,0,0]=4 1688 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [1,1,0,0,0,0|2,0,0]=4 1689 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [1,1,0,0,0,0|2,0,0]=4 1690 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [1,1,0,0,0,0|1,0,1]=4 1691 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [1,1,0,0,0,0|1,0,1]=4 1692 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [1,1,0,0,0,0|1,0,1]=4 1693 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [1,1,0,0,0,0|2,0,0]=4 1694 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [1,1,0,0,0,0|2,0,0]=4 1695 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [1,1,0,0,0,0|2,0,0]=4 1696 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [1,1,0,0,0,0|2,0,0]=4 1697 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [1,1,0,0,0,0|2,0,0]=4 1698 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [1,1,0,0,0,0|0,0,2]=4 1699 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [1,1,0,0,0,0|1,0,1]=4 1700 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [1,1,0,0,0,0|0,0,2]=4 1701 B9R1.163 CC(=O)C1(CCCC1)C 1458a_100000239728_200000210301 [1,1,0,0,0,0|1,0,1]=4 1702 B9R1.163 CC(=O)C1(CCCC1)O 1458a_100000242637_200000210301 [1,1,0,0,0,0|1,0,1]=4 1703 B9R1.163 CC(=O)C1(CCCO1)C 1458a_100000684770_200000210301 [1,1,0,0,0,0|1,0,1]=4 1704 B9R1.163 CC1(CCCC1)C(=O)[13CH3] 1458a_100000239728_200025704644 [1,1,0,0,0,0|1,0,1]=4 1705 B9R1.163 CC1(CCCO1)C(=O)[13CH3] 1458a_100000684770_200025704644 [1,1,0,0,0,0|1,0,1]=4 1706 B9R1.163 [13CH3]C(=O)C1(CCCC1)O 1458a_100000242637_200025704644 [1,1,0,0,0,0|1,0,1]=4 1707 B9R1.12 CCNN=C1CCCC1 4a_100000756455_100000210133 [1,1,0,0,0,0|2,0,0]=4 1708 B9R1.12 CCOCC1=NCCN1 34a_100121572206_100000737910 [1,1,0,0,0,0|1,0,1]=4 1709 B9R1.12 CCSCC1=NCCN1 62a_100000210202_100000737910 [1,1,0,0,0,0|1,0,1]=4 1710 B9R1.12 CCSCC1=NCCN1 62a_100000737910_100000210202 [1,1,0,0,0,0|1,0,1]=4 1711 B9R1.13 CC(=O)C=C1CCCC1 1458a_100000743260_200000210301 [1,1,0,0,0,0|1,0,1]=4 1712 B9R1.13 [13CH3]C(=O)C=C1CCCC1 1458a_100000743260_200025704644 [1,1,0,0,0,0|1,0,1]=4 1713 B9R1.62 CCS(=O)(=O)N1CCC1 270084a_100000754969_100000211323 [0,1,0,0,1,0|2,0,0]=4 1714 B9R1.62 CCS(=O)(=O)N1CCC1 274078a_100000754969_100000211323 [0,1,0,0,1,0|2,0,0]=4 1715 B9R1.62 CCS(=O)(=O)N1CCC1 40a_100000754969_100000053943 [0,1,0,0,1,0|2,0,0]=4 1716 B9R1.73 C#CCC(=O)C1CCC1 1458a_100000209988_100000184674 [0,1,0,0,1,0|0,0,2]=4 1717 B9R1.73 C#CCC(=O)C1CCC1 1458a_100011220946_100000749161 [0,1,0,0,1,0|0,0,2]=4 1718 B9R1.73 C#CCC(=O)N1CCC1 527a_100000754969_100011220946 [0,1,0,0,1,0|1,0,1]=4 1719 B9R1.73 C=CCC(=O)C1CCC1 1458a_100000209988_100000210623 [0,1,0,0,1,0|0,0,2]=4 1720 B9R1.73 C=CCC(=O)C1CCC1 1458a_100000210193_100000749161 [0,1,0,0,1,0|0,0,2]=4 1721 B9R1.73 C=CCC(=O)N1CCC1 11a_100000754969_100000210193 [0,1,0,0,1,0|1,0,1]=4 1722 B9R1.73 C=CCC(=O)N1CCC1 240690a_100000754969_100000210193 [0,1,0,0,1,0|1,0,1]=4 1723 B9R1.73 C=CCC(=O)N1CCC1 527a_100000754969_100000210193 [0,1,0,0,1,0|1,0,1]=4 1724 B9R1.73 CC#CC(=O)C1CCC1 1458a_100000763181_100000749161 [0,1,0,0,1,0|0,0,2]=4 1725 B9R1.73 CC=CC(=O)C1CCC1 1458a_100000210699_100000749161 [0,1,0,0,1,0|0,0,2]=4 1726 B9R1.73 CC=CC(=O)N1CCC1 11a_100000754969_100000210699 [0,1,0,0,1,0|1,0,1]=4 1727 B9R1.73 CC=CC(=O)N1CCC1 240690a_100000754969_100000210699 [0,1,0,0,1,0|1,0,1]=4 1728 B9R1.73 CCCC(=O)C1CCC1 1458a_100000209988_100000210303 [0,1,0,0,1,0|0,0,1]=3 1729 B9R1.73 CCCC(=O)C1CCC1 1458a_100000211992_100000749161 [0,1,0,0,1,0|0,0,1]=3 1730 B9R1.73 CCCC(=O)C1CCO1 1458a_100000089072_100000210303 [0,1,0,0,1,0|1,0,1]=4 1731 B9R1.73 CCCC(=O)C1COC1 1458a_100000211992_100000687716 [0,1,0,0,1,0|1,0,1]=4 1732 B9R1.73 CCCC(=O)C1COC1 1458a_100000758290_100000210303 [0,1,0,0,1,0|1,0,1]=4 1733 B9R1.73 CCCC(=O)N1CCC1 11a_100000754969_100000211992 [0,1,0,0,1,0|1,0,0]=3 1734 B9R1.73 CCCC(=O)N1CCC1 240690a_100000754969_100000211992 [0,1,0,0,1,0|1,0,0]=3 1735 B9R1.73 CCCC(=O)N1CCC1 527a_100000754969_100000211992 [0,1,0,0,1,0|1,0,0]=3 1736 B9R1.73 CCNC(=O)C1CCC1 11a_100015525214_100000209988 [0,1,0,0,1,0|0,0,1]=3 1737 B9R1.73 CCNC(=O)C1CCC1 240690a_100015525214_100000209988 [0,1,0,0,1,0|0,0,1]=3 1738 B9R1.73 CCNC(=O)C1CCC1 527a_100015525214_100000209988 [0,1,0,0,1,0|0,0,1]=3 1739 B9R1.73 CCNC(=O)C1CCO1 11a_100015525214_100000089072 [0,1,0,0,1,0|1,0,1]=4 1740 B9R1.73 CCNC(=O)C1CCO1 240690a_100015525214_100000089072 [0,1,0,0,1,0|1,0,1]=4 1741 B9R1.73 CCNC(=O)C1CCO1 527a_100015525214_100000089072 [0,1,0,0,1,0|1,0,1]=4 1742 B9R1.73 CCNC(=O)C1COC1 11a_100015525214_100000758290 [0,1,0,0,1,0|1,0,1]=4 1743 B9R1.73 CCNC(=O)C1COC1 240690a_100015525214_100000758290 [0,1,0,0,1,0|1,0,1]=4 1744 B9R1.73 CCNC(=O)C1COC1 527a_100015525214_100000758290 [0,1,0,0,1,0|1,0,1]=4 1745 B9R1.73 CCNC(=O)N1CCC1 2708a_100015525214_100000754969 [0,1,0,0,1,0|1,0,0]=3 1746 B9R1.73 CCNC(=O)N1CCC1 273464a_100015525214_100000754969 [0,1,0,0,1,0|1,0,0]=3 1747 B9R1.73 CNCC(=O)C1CCC1 2230a_106832991635_100000686122 [0,1,0,0,1,0|0,0,1]=3 1748 B9R1.73 CNCC(=O)C1CCC1 34a_100102657272_100000686122 [0,1,0,0,1,0|0,0,1]=3 1749 B9R1.73 CNCC(=O)C1CCC1 7a_106832991635_100000686122 [0,1,0,0,1,0|0,0,1]=3 1750 B9R1.73 CNCC(=O)N1CCC1 2230a_106832991635_100000185095 [0,1,0,0,1,0|1,0,0]=3 1751 B9R1.73 CNCC(=O)N1CCC1 34a_100102657272_100000185095 [0,1,0,0,1,0|1,0,0]=3 1752 B9R1.73 CNCC(=O)N1CCC1 7a_106832991635_100000185095 [0,1,0,0,1,0|1,0,0]=3 1753 B9R1.73 CNNC(=O)C1CCC1 22a_100016993582_100000209988 [0,1,0,0,1,0|1,0,1]=4 1754 B9R1.73 COCC(=O)C1CCC1 1458a_100000210968_100000749161 [0,1,0,0,1,0|0,0,1]=3 1755 B9R1.73 COCC(=O)C1CCC1 34a_100138415774_100000686122 [0,1,0,0,1,0|0,0,1]=3 1756 B9R1.73 COCC(=O)C1COC1 1458a_100000210968_100000687716 [0,1,0,0,1,0|1,0,1]=4 1757 B9R1.73 COCC(=O)N1CCC1 11a_100000754969_100000210968 [0,1,0,0,1,0|1,0,0]=3 1758 B9R1.73 COCC(=O)N1CCC1 240690a_100000754969_100000210968 [0,1,0,0,1,0|1,0,0]=3 1759 B9R1.73 COCC(=O)N1CCC1 34a_100138415774_100000185095 [0,1,0,0,1,0|1,0,0]=3 1760 B9R1.73 COCC(=O)N1CCC1 527a_100000754969_100000210968 [0,1,0,0,1,0|1,0,0]=3 1761 B9R1.73 CSCC(=O)C1CCC1 1458a_100000184570_100000749161 [0,1,0,0,1,0|0,0,1]=3 1762 B9R1.73 CSCC(=O)C1CCC1 62a_100000686122_200000210301 [0,1,0,0,1,0|0,0,1]=3 1763 B9R1.73 CSCC(=O)C1CCC1 62a_200000210301_100000686122 [0,1,0,0,1,0|0,0,1]=3 1764 B9R1.73 CSCC(=O)C1COC1 1458a_100000184570_100000687716 [0,1,0,0,1,0|1,0,1]=4 1765 B9R1.73 CSCC(=O)N1CCC1 11a_100000754969_100000184570 [0,1,0,0,1,0|1,0,0]=3 1766 B9R1.73 CSCC(=O)N1CCC1 240690a_100000754969_100000184570 [0,1,0,0,1,0|1,0,0]=3 1767 B9R1.73 CSCC(=O)N1CCC1 527a_100000754969_100000184570 [0,1,0,0,1,0|1,0,0]=3 1768 B9R1.73 CSCC(=O)N1CCC1 62a_100000185095_200000210301 [0,1,0,0,1,0|1,0,0]=3 1769 B9R1.73 CSCC(=O)N1CCC1 62a_200000210301_100000185095 [0,1,0,0,1,0|1,0,0]=3 1770 B9R1.73 N#CCC(=O)C1CCC1 1458a_100000209988_100011214920 [0,1,0,0,1,0|0,0,2]=4 1771 B9R1.73 N#CCC(=O)C1CCC1 1458a_100051588842_100000749161 [0,1,0,0,1,0|0,0,2]=4 1772 B9R1.73 N#CCC(=O)N1CCC1 240690a_100000754969_100051588842 [0,1,0,0,1,0|1,0,1]=4 1773 B9R1.73 O=C(CCF)C1CCC1 1458a_100000209988_100011217306 [0,1,0,0,1,0|0,0,1]=3 1774 B9R1.73 O=C(CCF)C1CCO1 1458a_100000089072_100011217306 [0,1,0,0,1,0|1,0,1]=4 1775 B9R1.73 O=C(CCF)C1COC1 1458a_100000758290_100011217306 [0,1,0,0,1,0|1,0,1]=4 1776 B9R1.73 O=C(CCO)C1CCC1 1458a_100000209988_100000211926 [0,1,0,0,1,0|0,0,1]=3 1777 B9R1.73 O=C(CCO)C1CCC1 1458a_100011216618_100000749161 [0,1,0,0,1,0|0,0,1]=3 1778 B9R1.73 O=C(CCO)C1CCO1 1458a_100000089072_100000211926 [0,1,0,0,1,0|1,0,1]=4 1779 B9R1.73 O=C(CCO)C1COC1 1458a_100000758290_100000211926 [0,1,0,0,1,0|1,0,1]=4 1780 B9R1.73 O=C(CCO)C1COC1 1458a_100011216618_100000687716 [0,1,0,0,1,0|1,0,1]=4 1781 B9R1.73 O=C(CCO)N1CCC1 240690a_100000754969_100011216618 [0,1,0,0,1,0|1,0,0]=3 1782 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_100000686122_200025704644 [0,1,0,0,1,0|0,0,1]=3 1783 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_200025704644_100000686122 [0,1,0,0,1,0|0,0,1]=3 1784 B9R1.73 [13CH3]SCC(=O)N1CCC1 62a_100000185095_200025704644 [0,1,0,0,1,0|1,0,0]=3 1785 B9R1.73 [13CH3]SCC(=O)N1CCC1 62a_200025704644_100000185095 [0,1,0,0,1,0|1,0,0]=3 1786 B9R1.81 CC1CCN1C(=O)CO 240690a_100000755817_100000210174 [0,1,0,0,1,0|2,0,0]=4 1787 B9R1.81 CC1CCN1C(=O)CO 527a_100000755817_100000210174 [0,1,0,0,1,0|2,0,0]=4 1788 B9R1.81 CCC(=O)C1CCC1=O 1458a_100000210414_100009892977 [0,1,0,0,1,0|0,0,2]=4 1789 B9R1.81 CCC(=O)N1CCC1C 11a_100000755817_100000210414 [0,1,0,0,1,0|1,0,0]=3 1790 B9R1.81 CCC(=O)N1CCC1C 240690a_100000755817_100000210414 [0,1,0,0,1,0|1,0,0]=3 1791 B9R1.81 CCC(=O)N1CCC1C 527a_100000755817_100000210414 [0,1,0,0,1,0|1,0,0]=3 1792 B9R1.81 CNC(=O)N1CCC1C 2708a_100102657272_100000755817 [0,1,0,0,1,0|2,0,0]=4 1793 B9R1.81 CNC(=O)N1CCC1C 273464a_100102657272_100000755817 [0,1,0,0,1,0|2,0,0]=4 1794 B9R1.82 C=C1CC(C1)C(=O)CC 1458a_100000065620_100000210202 [0,1,0,0,1,0|0,0,2]=4 1795 B9R1.82 CC1CC(C1)C(=O)CF 1458a_100000686124_100015361967 [0,1,0,0,1,0|1,0,1]=4 1796 B9R1.82 CC1CN(C1)C(=O)CO 240690a_100000702820_100000210174 [0,1,0,0,1,0|2,0,0]=4 1797 B9R1.82 CC1CN(C1)C(=O)CO 527a_100000702820_100000210174 [0,1,0,0,1,0|2,0,0]=4 1798 B9R1.82 CCC(=O)C1CC(C1)C 1458a_100000686124_100000210202 [0,1,0,0,1,0|0,0,1]=3 1799 B9R1.82 CCC(=O)C1CC(C1)F 1458a_100000062598_100000210202 [0,1,0,0,1,0|0,0,1]=3 1800 B9R1.82 CCC(=O)C1CN(C1)C 1458a_100012002723_100000210202 [0,1,0,0,1,0|1,0,1]=4 1801 B9R1.82 CCC(=O)N1CC(C1)C 11a_100000702820_100000210414 [0,1,0,0,1,0|1,0,0]=3 1802 B9R1.82 CCC(=O)N1CC(C1)C 240690a_100000702820_100000210414 [0,1,0,0,1,0|1,0,0]=3 1803 B9R1.82 CCC(=O)N1CC(C1)C 527a_100000702820_100000210414 [0,1,0,0,1,0|1,0,0]=3 1804 B9R1.82 CCC(=O)N1CC(C1)F 11a_100000690557_100000210414 [0,1,0,0,1,0|1,0,0]=3 1805 B9R1.82 CCC(=O)N1CC(C1)F 240690a_100000690557_100000210414 [0,1,0,0,1,0|1,0,0]=3 1806 B9R1.82 CCC(=O)N1CC(C1)F 527a_100000690557_100000210414 [0,1,0,0,1,0|1,0,0]=3 1807 B9R1.82 CCC(=O)N1CC(C1)O 11a_100000749847_100000210414 [0,1,0,0,1,0|1,0,0]=3 1808 B9R1.82 CCC(=O)N1CC(C1)O 240690a_100000749847_100000210414 [0,1,0,0,1,0|1,0,0]=3 1809 B9R1.82 CCC(=O)N1CC(C1)O 527a_100000749847_100000210414 [0,1,0,0,1,0|1,0,0]=3 1810 B9R1.82 CCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210202 [0,1,0,0,1,0|0,0,1]=3 1811 B9R1.82 CNC(=O)C1CC(C1)C 11a_106832991635_100000686124 [0,1,0,0,1,0|1,0,1]=4 1812 B9R1.82 CNC(=O)C1CC(C1)C 1626a_100102657272_100000686124 [0,1,0,0,1,0|1,0,1]=4 1813 B9R1.82 CNC(=O)C1CC(C1)C 240690a_100102657272_100000686124 [0,1,0,0,1,0|1,0,1]=4 1814 B9R1.82 CNC(=O)C1CC(C1)C 527a_100102657272_100000686124 [0,1,0,0,1,0|1,0,1]=4 1815 B9R1.82 CNC(=O)C1CC(C1)F 11a_106832991635_100000062598 [0,1,0,0,1,0|1,0,1]=4 1816 B9R1.82 CNC(=O)C1CC(C1)F 1626a_100102657272_100000062598 [0,1,0,0,1,0|1,0,1]=4 1817 B9R1.82 CNC(=O)C1CC(C1)F 240690a_100102657272_100000062598 [0,1,0,0,1,0|1,0,1]=4 1818 B9R1.82 CNC(=O)C1CC(C1)F 527a_100102657272_100000062598 [0,1,0,0,1,0|1,0,1]=4 1819 B9R1.82 CNC(=O)N1CC(C1)C 2708a_100102657272_100000702820 [0,1,0,0,1,0|2,0,0]=4 1820 B9R1.82 CNC(=O)N1CC(C1)C 273464a_100102657272_100000702820 [0,1,0,0,1,0|2,0,0]=4 1821 B9R1.82 CNC(=O)N1CC(C1)F 2708a_100102657272_100000690557 [0,1,0,0,1,0|2,0,0]=4 1822 B9R1.82 CNC(=O)N1CC(C1)F 273464a_100102657272_100000690557 [0,1,0,0,1,0|2,0,0]=4 1823 B9R1.82 CNC(=O)N1CC(C1)O 2708a_100102657272_100000749847 [0,1,0,0,1,0|2,0,0]=4 1824 B9R1.82 CNC(=O)N1CC(C1)O 273464a_100102657272_100000749847 [0,1,0,0,1,0|2,0,0]=4 1825 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)O 240690a_100102657272_100015266633 [0,1,0,0,1,0|1,0,1]=4 1826 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)O 527a_100102657272_100015266633 [0,1,0,0,1,0|1,0,1]=4 1827 B9R1.82 O=C(CF)C1CC(C1)F 1458a_100000062598_100015361967 [0,1,0,0,1,0|1,0,1]=4 1828 B9R1.82 O=C(CF)[C@H]1C[C@H](C1)O 1458a_100015266633_100015361967 [0,1,0,0,1,0|1,0,1]=4 1829 B9R1.82 O=C(CO)N1CC(C1)F 240690a_100000690557_100000210174 [0,1,0,0,1,0|2,0,0]=4 1830 B9R1.82 O=C(CO)N1CC(C1)F 527a_100000690557_100000210174 [0,1,0,0,1,0|2,0,0]=4 1831 B9R1.82 O=C(CO)N1CC(C1)O 240690a_100000749847_100000210174 [0,1,0,0,1,0|2,0,0]=4 1832 B9R1.82 O=C(CO)N1CC(C1)O 527a_100000749847_100000210174 [0,1,0,0,1,0|2,0,0]=4 1833 B9R1.110 C=C(C)C(=O)C1CCC1 1458a_100000185857_100000749161 [0,1,0,0,1,0|0,0,2]=4 1834 B9R1.110 C=C(C)C(=O)N1CCC1 11a_100000754969_100000185857 [0,1,0,0,1,0|1,0,1]=4 1835 B9R1.110 CC(C)C(=O)C1CCC1 1458a_100000209988_100000210206 [0,1,0,0,1,0|0,0,1]=3 1836 B9R1.110 CC(C)C(=O)C1CCC1 1458a_100000210198_100000749161 [0,1,0,0,1,0|0,0,1]=3 1837 B9R1.110 CC(C)C(=O)C1CCO1 1458a_100000089072_100000210206 [0,1,0,0,1,0|1,0,1]=4 1838 B9R1.110 CC(C)C(=O)C1COC1 1458a_100000210198_100000687716 [0,1,0,0,1,0|1,0,1]=4 1839 B9R1.110 CC(C)C(=O)C1COC1 1458a_100000758290_100000210206 [0,1,0,0,1,0|1,0,1]=4 1840 B9R1.110 CC(C)C(=O)N1CCC1 11a_100000754969_100000210198 [0,1,0,0,1,0|1,0,0]=3 1841 B9R1.110 CC(C)C(=O)N1CCC1 240690a_100000754969_100000210198 [0,1,0,0,1,0|1,0,0]=3 1842 B9R1.110 CC(C)C(=O)N1CCC1 527a_100000754969_100000210198 [0,1,0,0,1,0|1,0,0]=3 1843 B9R1.110 CC(F)C(=O)C1CCC1 1458a_100000062450_100000749161 [0,1,0,0,1,0|0,0,1]=3 1844 B9R1.110 CC(F)C(=O)C1COC1 1458a_100000062450_100000687716 [0,1,0,0,1,0|1,0,1]=4 1845 B9R1.110 CC(F)C(=O)N1CCC1 11a_100000754969_100000062450 [0,1,0,0,1,0|1,0,0]=3 1846 B9R1.110 CC(F)C(=O)N1CCC1 240690a_100000754969_100000062450 [0,1,0,0,1,0|1,0,0]=3 1847 B9R1.110 CC(F)C(=O)N1CCC1 527a_100000754969_100000062450 [0,1,0,0,1,0|1,0,0]=3 1848 B9R1.110 CN(C)C(=O)C1CCC1 11a_100102631434_100000209988 [0,1,0,0,1,0|1,0,1]=4 1849 B9R1.110 CN(C)C(=O)C1CCC1 1626a_100102631434_100000209988 [0,1,0,0,1,0|1,0,1]=4 1850 B9R1.110 CN(C)C(=O)C1CCC1 240690a_100102631434_100000209988 [0,1,0,0,1,0|1,0,1]=4 1851 B9R1.110 CN(C)C(=O)C1CCC1 527a_100102631434_100000209988 [0,1,0,0,1,0|1,0,1]=4 1852 B9R1.110 C[C@@H](O)C(=O)C1CCC1 1458a_100000717761_100000749161 [0,1,0,0,1,0|0,0,1]=3 1853 B9R1.110 C[C@@H](O)C(=O)C1COC1 1458a_100000717761_100000687716 [0,1,0,0,1,0|1,0,1]=4 1854 B9R1.110 C[C@@H](O)C(=O)N1CCC1 240690a_100000754969_100000717761 [0,1,0,0,1,0|1,0,0]=3 1855 B9R1.110 C[C@H](O)C(=O)C1CCC1 1458a_217856618621_100000749161 [0,1,0,0,1,0|0,0,1]=3 1856 B9R1.110 C[C@H](O)C(=O)C1COC1 1458a_217856618621_100000687716 [0,1,0,0,1,0|1,0,1]=4 1857 B9R1.110 C[C@H](O)C(=O)N1CCC1 240690a_100000754969_217856618621 [0,1,0,0,1,0|1,0,0]=3 1858 B9R1.110 O=C(C(F)F)N1CCC1 11a_100000754969_100000210393 [0,1,0,0,1,0|2,0,0]=4 1859 B9R1.110 O=C(C(F)F)N1CCC1 240690a_100000754969_100000210393 [0,1,0,0,1,0|2,0,0]=4 1860 B9R1.110 O=C(C(F)F)N1CCC1 527a_100000754969_100000210393 [0,1,0,0,1,0|2,0,0]=4 1861 B9R1.110 O=C(C(O)O)C1CCC1 1458a_100000233687_100000749161 [0,1,0,0,1,0|1,0,1]=4 1862 B9R1.110 O=C(C(O)O)N1CCC1 240690a_100000754969_100000233687 [0,1,0,0,1,0|2,0,0]=4 1863 B9R1.186 CC1(CCC1)C(=O)CF 1458a_100000684636_100015361967 [0,1,0,0,1,0|1,0,1]=4 1864 B9R1.186 CCC(=O)C1(CCC1)C 1458a_100000684636_100000210202 [0,1,0,0,1,0|0,0,1]=3 1865 B9R1.186 CCC(=O)C1(CCC1)O 1458a_100000242746_100000210202 [0,1,0,0,1,0|0,0,1]=3 1866 B9R1.186 CCC(=O)C1(COC1)C 1458a_100000094709_100000210202 [0,1,0,0,1,0|1,0,1]=4 1867 B9R1.186 CCC(=O)C1(COC1)O 1458a_100010273515_100000210202 [0,1,0,0,1,0|1,0,1]=4 1868 B9R1.186 CNC(=O)C1(CCC1)C 11a_106832991635_100000684636 [0,1,0,0,1,0|1,0,1]=4 1869 B9R1.186 CNC(=O)C1(CCC1)C 1626a_100102657272_100000684636 [0,1,0,0,1,0|1,0,1]=4 1870 B9R1.186 CNC(=O)C1(CCC1)C 240690a_100102657272_100000684636 [0,1,0,0,1,0|1,0,1]=4 1871 B9R1.186 CNC(=O)C1(CCC1)C 527a_100102657272_100000684636 [0,1,0,0,1,0|1,0,1]=4 1872 B9R1.186 CNC(=O)C1(CCC1)O 240690a_100102657272_100000242746 [0,1,0,0,1,0|1,0,1]=4 1873 B9R1.186 O=C(CF)C1(CCC1)O 1458a_100000242746_100015361967 [0,1,0,0,1,0|1,0,1]=4 1874 B11R1.16 C#CCC(=O)C1=CCCCC1 1458a_100000765259_100000184674 [0,1,0,0,0,1|1,0,1]=4 1875 B11R1.16 C#CCC(=O)C1=CCCCO1 1458a_100000764163_100000184674 [0,1,0,0,0,1|1,0,1]=4 1876 B11R1.16 C#CCC(=O)C1=COCCC1 1458a_100000749935_100000184674 [0,1,0,0,0,1|1,0,1]=4 1877 B11R1.16 C=CCC(=O)C1=CCCCC1 1458a_100000765259_100000210623 [0,1,0,0,0,1|1,0,1]=4 1878 B11R1.16 C=CCC(=O)C1=CCCCO1 1458a_100000764163_100000210623 [0,1,0,0,0,1|1,0,1]=4 1879 B11R1.16 C=CCC(=O)C1=COCCC1 1458a_100000749935_100000210623 [0,1,0,0,0,1|1,0,1]=4 1880 B11R1.16 CCCC(=O)C1=CCCCC1 1458a_100000765259_100000210303 [0,1,0,0,0,1|1,0,0]=3 1881 B11R1.16 CCCC(=O)C1=CCCCO1 1458a_100000764163_100000210303 [0,1,0,0,0,1|1,0,0]=3 1882 B11R1.16 CCCC(=O)C1=COCCC1 1458a_100000749935_100000210303 [0,1,0,0,0,1|1,0,0]=3 1883 B11R1.16 CCCC(=O)C1=COCCO1 1458a_100000008702_100000210303 [0,1,0,0,0,1|1,0,1]=4 1884 B11R1.16 CCCC(=O)C1C=CCCC1 1458a_100000211992_100000751183 [0,1,0,0,0,1|1,0,1]=4 1885 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000210647_100000210303 [0,1,0,0,0,1|1,0,1]=4 1886 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000211992_100000210327 [0,1,0,0,0,1|1,0,1]=4 1887 B11R1.16 CCCC(=O)C1CCCCO1 1458a_100000748299_100000210303 [0,1,0,0,0,1|1,0,1]=4 1888 B11R1.16 CCCC(=O)C1CCCOC1 1458a_100000211992_100000693364 [0,1,0,0,0,1|1,0,1]=4 1889 B11R1.16 CCCC(=O)C1CCCOC1 1458a_100000741522_100000210303 [0,1,0,0,0,1|1,0,1]=4 1890 B11R1.16 CCCC(=O)C1CCOCC1 1458a_100000195482_100000210303 [0,1,0,0,0,1|1,0,1]=4 1891 B11R1.16 CCCC(=O)C1CCOCC1 1458a_100000211992_100011324220 [0,1,0,0,0,1|1,0,1]=4 1892 B11R1.16 CCCC(=O)C1CCSCC1 1458a_100000755232_100000210303 [0,1,0,0,0,1|1,0,1]=4 1893 B11R1.16 CCCC(=O)C1COCCO1 1458a_100000045528_100000210303 [0,1,0,0,0,1|1,0,1]=4 1894 B11R1.16 CCCC(=O)C1SCCCS1 1458a_100000028545_100000210303 [0,1,0,0,0,1|1,0,1]=4 1895 B11R1.16 CCCC(=O)N1CCCOC1 11a_100000131196_100000211992 [0,1,0,0,0,1|2,0,0]=4 1896 B11R1.16 CCCC(=O)N1CCCOC1 240690a_100000131196_100000211992 [0,1,0,0,0,1|2,0,0]=4 1897 B11R1.16 CCCC(=O)N1CCOCC1 11a_100015191051_100000211992 [0,1,0,0,0,1|2,0,0]=4 1898 B11R1.16 CCCC(=O)N1CCOCC1 1626a_100015191051_100000211992 [0,1,0,0,0,1|2,0,0]=4 1899 B11R1.16 CCCC(=O)N1CCOCC1 240690a_100015191051_100000211992 [0,1,0,0,0,1|2,0,0]=4 1900 B11R1.16 CCCC(=O)N1CCOCC1 527a_100015191051_100000211992 [0,1,0,0,0,1|2,0,0]=4 1901 B11R1.16 CCCC(=O)N1CCSCC1 11a_100000737611_100000211992 [0,1,0,0,0,1|2,0,0]=4 1902 B11R1.16 CCCC(=O)N1CCSCC1 240690a_100000737611_100000211992 [0,1,0,0,0,1|2,0,0]=4 1903 B11R1.16 CCCC(=O)N1CCSCC1 527a_100000737611_100000211992 [0,1,0,0,0,1|2,0,0]=4 1904 B11R1.16 CCNC(=O)C1=CCCCC1 11a_100015525214_100000765259 [0,1,0,0,0,1|1,0,0]=3 1905 B11R1.16 CCNC(=O)C1=CCCCC1 240690a_100015525214_100000765259 [0,1,0,0,0,1|1,0,0]=3 1906 B11R1.16 CCNC(=O)C1=CCCCC1 527a_100015525214_100000765259 [0,1,0,0,0,1|1,0,0]=3 1907 B11R1.16 CCNC(=O)C1=CCCCO1 11a_100015525214_100000764163 [0,1,0,0,0,1|1,0,0]=3 1908 B11R1.16 CCNC(=O)C1=CCCCO1 240690a_100015525214_100000764163 [0,1,0,0,0,1|1,0,0]=3 1909 B11R1.16 CCNC(=O)C1=CCCCO1 527a_100015525214_100000764163 [0,1,0,0,0,1|1,0,0]=3 1910 B11R1.16 CCNC(=O)C1=COCCC1 527a_100015525214_100000749935 [0,1,0,0,0,1|1,0,0]=3 1911 B11R1.16 CCNC(=O)C1=COCCO1 11a_100015525214_100000008702 [0,1,0,0,0,1|1,0,1]=4 1912 B11R1.16 CCNC(=O)C1=COCCO1 240690a_100015525214_100000008702 [0,1,0,0,0,1|1,0,1]=4 1913 B11R1.16 CCNC(=O)C1=COCCO1 527a_100015525214_100000008702 [0,1,0,0,0,1|1,0,1]=4 1914 B11R1.16 CCNC(=O)C1CCCCC1 11a_100015525214_100000210647 [0,1,0,0,0,1|1,0,1]=4 1915 B11R1.16 CCNC(=O)C1CCCCC1 240690a_100015525214_100000210647 [0,1,0,0,0,1|1,0,1]=4 1916 B11R1.16 CCNC(=O)C1CCCCC1 527a_100015525214_100000210647 [0,1,0,0,0,1|1,0,1]=4 1917 B11R1.16 CCNC(=O)C1CCCCO1 11a_100015525214_100000748299 [0,1,0,0,0,1|1,0,1]=4 1918 B11R1.16 CCNC(=O)C1CCCCO1 240690a_100015525214_100000748299 [0,1,0,0,0,1|1,0,1]=4 1919 B11R1.16 CCNC(=O)C1CCCCO1 527a_100015525214_100000748299 [0,1,0,0,0,1|1,0,1]=4 1920 B11R1.16 CCNC(=O)C1CCCOC1 11a_100015525214_100000741522 [0,1,0,0,0,1|1,0,1]=4 1921 B11R1.16 CCNC(=O)C1CCCOC1 240690a_100015525214_100000741522 [0,1,0,0,0,1|1,0,1]=4 1922 B11R1.16 CCNC(=O)C1CCCOC1 527a_100015525214_100000741522 [0,1,0,0,0,1|1,0,1]=4 1923 B11R1.16 CCNC(=O)C1CCOCC1 11a_100015525214_100000195482 [0,1,0,0,0,1|1,0,1]=4 1924 B11R1.16 CCNC(=O)C1CCOCC1 240690a_100015525214_100000195482 [0,1,0,0,0,1|1,0,1]=4 1925 B11R1.16 CCNC(=O)C1CCOCC1 527a_100015525214_100000195482 [0,1,0,0,0,1|1,0,1]=4 1926 B11R1.16 CCNC(=O)C1CCSCC1 11a_100015525214_100000755232 [0,1,0,0,0,1|1,0,1]=4 1927 B11R1.16 CCNC(=O)C1CCSCC1 240690a_100015525214_100000755232 [0,1,0,0,0,1|1,0,1]=4 1928 B11R1.16 CCNC(=O)C1CCSCC1 527a_100015525214_100000755232 [0,1,0,0,0,1|1,0,1]=4 1929 B11R1.16 CCNC(=O)C1COCCO1 11a_100015525214_100000045528 [0,1,0,0,0,1|1,0,1]=4 1930 B11R1.16 CCNC(=O)C1COCCO1 240690a_100015525214_100000045528 [0,1,0,0,0,1|1,0,1]=4 1931 B11R1.16 CCNC(=O)C1COCCO1 527a_100015525214_100000045528 [0,1,0,0,0,1|1,0,1]=4 1932 B11R1.16 CCNC(=O)C1SCCCS1 11a_100015525214_100000028545 [0,1,0,0,0,1|1,0,1]=4 1933 B11R1.16 CCNC(=O)C1SCCCS1 240690a_100015525214_100000028545 [0,1,0,0,0,1|1,0,1]=4 1934 B11R1.16 CCNC(=O)C1SCCCS1 527a_100015525214_100000028545 [0,1,0,0,0,1|1,0,1]=4 1935 B11R1.16 CCNC(=O)N1CCCOC1 2708a_100015525214_100000131196 [0,1,0,0,0,1|2,0,0]=4 1936 B11R1.16 CCNC(=O)N1CCCOC1 273464a_100015525214_100000131196 [0,1,0,0,0,1|2,0,0]=4 1937 B11R1.16 CCNC(=O)N1CCOCC1 2708a_100015525214_100015191051 [0,1,0,0,0,1|2,0,0]=4 1938 B11R1.16 CCNC(=O)N1CCOCC1 273464a_100015525214_100015191051 [0,1,0,0,0,1|2,0,0]=4 1939 B11R1.16 CCNC(=O)N1CCSCC1 2708a_100015525214_100000737611 [0,1,0,0,0,1|2,0,0]=4 1940 B11R1.16 CCNC(=O)N1CCSCC1 273464a_100015525214_100000737611 [0,1,0,0,0,1|2,0,0]=4 1941 B11R1.16 CNCC(=O)C1CCCCC1 2230a_106832991635_100000241979 [0,1,0,0,0,1|1,0,1]=4 1942 B11R1.16 CNCC(=O)C1CCCCC1 34a_100102657272_100000241979 [0,1,0,0,0,1|1,0,1]=4 1943 B11R1.16 CNCC(=O)C1CCCCC1 7a_106832991635_100000241979 [0,1,0,0,0,1|1,0,1]=4 1944 B11R1.16 CNCC(=O)C1CCOCC1 2230a_106832991635_100000689883 [0,1,0,0,0,1|1,0,1]=4 1945 B11R1.16 CNCC(=O)C1CCOCC1 34a_100102657272_100000689883 [0,1,0,0,0,1|1,0,1]=4 1946 B11R1.16 CNCC(=O)C1CCOCC1 7a_106832991635_100000689883 [0,1,0,0,0,1|1,0,1]=4 1947 B11R1.16 CNCC(=O)N1CCCCC1 2230a_100000751303_200000210301 [0,1,0,0,0,1|2,0,0]=4 1948 B11R1.16 CNCC(=O)N1CCCCC1 2230a_106832991635_100000183409 [0,1,0,0,0,1|2,0,0]=4 1949 B11R1.16 CNCC(=O)N1CCCCC1 34a_100102657272_100000183409 [0,1,0,0,0,1|2,0,0]=4 1950 B11R1.16 CNCC(=O)N1CCCCC1 7a_106832991635_100000183409 [0,1,0,0,0,1|2,0,0]=4 1951 B11R1.16 CNCC(=O)N1CCOCC1 2230a_100000697423_200000210301 [0,1,0,0,0,1|2,0,0]=4 1952 B11R1.16 CNCC(=O)N1CCOCC1 2230a_106832991635_100000183410 [0,1,0,0,0,1|2,0,0]=4 1953 B11R1.16 CNCC(=O)N1CCOCC1 34a_100102657272_100000183410 [0,1,0,0,0,1|2,0,0]=4 1954 B11R1.16 CNCC(=O)N1CCOCC1 7a_106832991635_100000183410 [0,1,0,0,0,1|2,0,0]=4 1955 B11R1.16 CNNC(=O)C1=CCCCC1 22a_100016993582_100000765259 [0,1,0,0,0,1|2,0,0]=4 1956 B11R1.16 CNNC(=O)C1=CCCCO1 22a_100016993582_100000764163 [0,1,0,0,0,1|2,0,0]=4 1957 B11R1.16 CNNC(=O)C1=COCCC1 22a_100016993582_100000749935 [0,1,0,0,0,1|2,0,0]=4 1958 B11R1.16 COCC(=O)C1C=CCCC1 1458a_100000210968_100000751183 [0,1,0,0,0,1|1,0,1]=4 1959 B11R1.16 COCC(=O)C1CCCCC1 1458a_100000210968_100000210327 [0,1,0,0,0,1|1,0,1]=4 1960 B11R1.16 COCC(=O)C1CCCCC1 34a_100138415774_100000241979 [0,1,0,0,0,1|1,0,1]=4 1961 B11R1.16 COCC(=O)C1CCCOC1 1458a_100000210968_100000693364 [0,1,0,0,0,1|1,0,1]=4 1962 B11R1.16 COCC(=O)C1CCOCC1 1458a_100000210968_100011324220 [0,1,0,0,0,1|1,0,1]=4 1963 B11R1.16 COCC(=O)C1CCOCC1 34a_100138415774_100000689883 [0,1,0,0,0,1|1,0,1]=4 1964 B11R1.16 COCC(=O)N1CCCCC1 34a_100138415774_100000183409 [0,1,0,0,0,1|2,0,0]=4 1965 B11R1.16 COCC(=O)N1CCCCC1 7a_100011315646_200000210301 [0,1,0,0,0,1|2,0,0]=4 1966 B11R1.16 COCC(=O)N1CCCOC1 11a_100000131196_100000210968 [0,1,0,0,0,1|2,0,0]=4 1967 B11R1.16 COCC(=O)N1CCCOC1 240690a_100000131196_100000210968 [0,1,0,0,0,1|2,0,0]=4 1968 B11R1.16 COCC(=O)N1CCOCC1 11a_100015191051_100000210968 [0,1,0,0,0,1|2,0,0]=4 1969 B11R1.16 COCC(=O)N1CCOCC1 1626a_100015191051_100000210968 [0,1,0,0,0,1|2,0,0]=4 1970 B11R1.16 COCC(=O)N1CCOCC1 240690a_100015191051_100000210968 [0,1,0,0,0,1|2,0,0]=4 1971 B11R1.16 COCC(=O)N1CCOCC1 34a_100138415774_100000183410 [0,1,0,0,0,1|2,0,0]=4 1972 B11R1.16 COCC(=O)N1CCOCC1 527a_100015191051_100000210968 [0,1,0,0,0,1|2,0,0]=4 1973 B11R1.16 COCC(=O)N1CCOCC1 7a_100000752472_200000210301 [0,1,0,0,0,1|2,0,0]=4 1974 B11R1.16 COCC(=O)N1CCSCC1 11a_100000737611_100000210968 [0,1,0,0,0,1|2,0,0]=4 1975 B11R1.16 COCC(=O)N1CCSCC1 240690a_100000737611_100000210968 [0,1,0,0,0,1|2,0,0]=4 1976 B11R1.16 COCC(=O)N1CCSCC1 527a_100000737611_100000210968 [0,1,0,0,0,1|2,0,0]=4 1977 B11R1.16 CSCC(=O)C1C=CCCC1 1458a_100000184570_100000751183 [0,1,0,0,0,1|1,0,1]=4 1978 B11R1.16 CSCC(=O)C1CCCCC1 1458a_100000184570_100000210327 [0,1,0,0,0,1|1,0,1]=4 1979 B11R1.16 CSCC(=O)C1CCCCC1 62a_100000241979_200000210301 [0,1,0,0,0,1|1,0,1]=4 1980 B11R1.16 CSCC(=O)C1CCCCC1 62a_200000210301_100000241979 [0,1,0,0,0,1|1,0,1]=4 1981 B11R1.16 CSCC(=O)C1CCCOC1 1458a_100000184570_100000693364 [0,1,0,0,0,1|1,0,1]=4 1982 B11R1.16 CSCC(=O)C1CCOCC1 1458a_100000184570_100011324220 [0,1,0,0,0,1|1,0,1]=4 1983 B11R1.16 CSCC(=O)C1CCOCC1 62a_100000689883_200000210301 [0,1,0,0,0,1|1,0,1]=4 1984 B11R1.16 CSCC(=O)C1CCOCC1 62a_200000210301_100000689883 [0,1,0,0,0,1|1,0,1]=4 1985 B11R1.16 CSCC(=O)N1CCCCC1 62a_100000183409_200000210301 [0,1,0,0,0,1|2,0,0]=4 1986 B11R1.16 CSCC(=O)N1CCCCC1 62a_200000210301_100000183409 [0,1,0,0,0,1|2,0,0]=4 1987 B11R1.16 CSCC(=O)N1CCCOC1 11a_100000131196_100000184570 [0,1,0,0,0,1|2,0,0]=4 1988 B11R1.16 CSCC(=O)N1CCCOC1 240690a_100000131196_100000184570 [0,1,0,0,0,1|2,0,0]=4 1989 B11R1.16 CSCC(=O)N1CCOCC1 11a_100015191051_100000184570 [0,1,0,0,0,1|2,0,0]=4 1990 B11R1.16 CSCC(=O)N1CCOCC1 1626a_100015191051_100000184570 [0,1,0,0,0,1|2,0,0]=4 1991 B11R1.16 CSCC(=O)N1CCOCC1 240690a_100015191051_100000184570 [0,1,0,0,0,1|2,0,0]=4 1992 B11R1.16 CSCC(=O)N1CCOCC1 527a_100015191051_100000184570 [0,1,0,0,0,1|2,0,0]=4 1993 B11R1.16 CSCC(=O)N1CCOCC1 62a_100000183410_200000210301 [0,1,0,0,0,1|2,0,0]=4 1994 B11R1.16 CSCC(=O)N1CCOCC1 62a_200000210301_100000183410 [0,1,0,0,0,1|2,0,0]=4 1995 B11R1.16 CSCC(=O)N1CCSCC1 11a_100000737611_100000184570 [0,1,0,0,0,1|2,0,0]=4 1996 B11R1.16 CSCC(=O)N1CCSCC1 240690a_100000737611_100000184570 [0,1,0,0,0,1|2,0,0]=4 1997 B11R1.16 CSCC(=O)N1CCSCC1 527a_100000737611_100000184570 [0,1,0,0,0,1|2,0,0]=4 1998 B11R1.16 N#CCC(=O)C1=CCCCC1 1458a_100000765259_100011214920 [0,1,0,0,0,1|1,0,1]=4 1999 B11R1.16 N#CCC(=O)C1=CCCCO1 1458a_100000764163_100011214920 [0,1,0,0,0,1|1,0,1]=4 2000 B11R1.16 N#CCC(=O)C1=COCCC1 1458a_100000749935_100011214920 [0,1,0,0,0,1|1,0,1]=4 2001 B11R1.16 O=C(CCF)C1=CCCCC1 1458a_100000765259_100011217306 [0,1,0,0,0,1|1,0,0]=3 2002 B11R1.16 O=C(CCF)C1=CCCCO1 1458a_100000764163_100011217306 [0,1,0,0,0,1|1,0,0]=3 2003 B11R1.16 O=C(CCF)C1=COCCC1 1458a_100000749935_100011217306 [0,1,0,0,0,1|1,0,0]=3 2004 B11R1.16 O=C(CCF)C1=COCCO1 1458a_100000008702_100011217306 [0,1,0,0,0,1|1,0,1]=4 2005 B11R1.16 O=C(CCF)C1CCCCC1 1458a_100000210647_100011217306 [0,1,0,0,0,1|1,0,1]=4 2006 B11R1.16 O=C(CCF)C1CCCCO1 1458a_100000748299_100011217306 [0,1,0,0,0,1|1,0,1]=4 2007 B11R1.16 O=C(CCF)C1CCCOC1 1458a_100000741522_100011217306 [0,1,0,0,0,1|1,0,1]=4 2008 B11R1.16 O=C(CCF)C1CCOCC1 1458a_100000195482_100011217306 [0,1,0,0,0,1|1,0,1]=4 2009 B11R1.16 O=C(CCF)C1CCSCC1 1458a_100000755232_100011217306 [0,1,0,0,0,1|1,0,1]=4 2010 B11R1.16 O=C(CCF)C1COCCO1 1458a_100000045528_100011217306 [0,1,0,0,0,1|1,0,1]=4 2011 B11R1.16 O=C(CCF)C1SCCCS1 1458a_100000028545_100011217306 [0,1,0,0,0,1|1,0,1]=4 2012 B11R1.16 O=C(CCO)C1=CCCCC1 1458a_100000765259_100000211926 [0,1,0,0,0,1|1,0,0]=3 2013 B11R1.16 O=C(CCO)C1=CCCCO1 1458a_100000764163_100000211926 [0,1,0,0,0,1|1,0,0]=3 2014 B11R1.16 O=C(CCO)C1=COCCC1 1458a_100000749935_100000211926 [0,1,0,0,0,1|1,0,0]=3 2015 B11R1.16 O=C(CCO)C1=COCCO1 1458a_100000008702_100000211926 [0,1,0,0,0,1|1,0,1]=4 2016 B11R1.16 O=C(CCO)C1C=CCCC1 1458a_100011216618_100000751183 [0,1,0,0,0,1|1,0,1]=4 2017 B11R1.16 O=C(CCO)C1CCCCC1 1458a_100000210647_100000211926 [0,1,0,0,0,1|1,0,1]=4 2018 B11R1.16 O=C(CCO)C1CCCCC1 1458a_100011216618_100000210327 [0,1,0,0,0,1|1,0,1]=4 2019 B11R1.16 O=C(CCO)C1CCCCO1 1458a_100000748299_100000211926 [0,1,0,0,0,1|1,0,1]=4 2020 B11R1.16 O=C(CCO)C1CCCOC1 1458a_100000741522_100000211926 [0,1,0,0,0,1|1,0,1]=4 2021 B11R1.16 O=C(CCO)C1CCCOC1 1458a_100011216618_100000693364 [0,1,0,0,0,1|1,0,1]=4 2022 B11R1.16 O=C(CCO)C1CCOCC1 1458a_100000195482_100000211926 [0,1,0,0,0,1|1,0,1]=4 2023 B11R1.16 O=C(CCO)C1CCOCC1 1458a_100011216618_100011324220 [0,1,0,0,0,1|1,0,1]=4 2024 B11R1.16 O=C(CCO)C1CCSCC1 1458a_100000755232_100000211926 [0,1,0,0,0,1|1,0,1]=4 2025 B11R1.16 O=C(CCO)C1COCCO1 1458a_100000045528_100000211926 [0,1,0,0,0,1|1,0,1]=4 2026 B11R1.16 O=C(CCO)C1SCCCS1 1458a_100000028545_100000211926 [0,1,0,0,0,1|1,0,1]=4 2027 B11R1.16 O=C(CCO)N1CCCOC1 240690a_100000131196_100011216618 [0,1,0,0,0,1|2,0,0]=4 2028 B11R1.16 O=C(CCO)N1CCOCC1 240690a_100015191051_100011216618 [0,1,0,0,0,1|2,0,0]=4 2029 B11R1.16 O=C(CCO)N1CCSCC1 240690a_100000737611_100011216618 [0,1,0,0,0,1|2,0,0]=4 2030 B11R1.16 [13CH3]NCC(=O)N1CCCCC1 2230a_100000751303_200025704644 [0,1,0,0,0,1|2,0,0]=4 2031 B11R1.16 [13CH3]NCC(=O)N1CCOCC1 2230a_100000697423_200025704644 [0,1,0,0,0,1|2,0,0]=4 2032 B11R1.16 [13CH3]OCC(=O)N1CCCCC1 7a_100011315646_200025704644 [0,1,0,0,0,1|2,0,0]=4 2033 B11R1.16 [13CH3]OCC(=O)N1CCOCC1 7a_100000752472_200025704644 [0,1,0,0,0,1|2,0,0]=4 2034 B11R1.16 [13CH3]SCC(=O)C1CCCCC1 62a_100000241979_200025704644 [0,1,0,0,0,1|1,0,1]=4 2035 B11R1.16 [13CH3]SCC(=O)C1CCCCC1 62a_200025704644_100000241979 [0,1,0,0,0,1|1,0,1]=4 2036 B11R1.16 [13CH3]SCC(=O)C1CCOCC1 62a_100000689883_200025704644 [0,1,0,0,0,1|1,0,1]=4 2037 B11R1.16 [13CH3]SCC(=O)C1CCOCC1 62a_200025704644_100000689883 [0,1,0,0,0,1|1,0,1]=4 2038 B11R1.16 [13CH3]SCC(=O)N1CCCCC1 62a_100000183409_200025704644 [0,1,0,0,0,1|2,0,0]=4 2039 B11R1.16 [13CH3]SCC(=O)N1CCCCC1 62a_200025704644_100000183409 [0,1,0,0,0,1|2,0,0]=4 2040 B11R1.16 [13CH3]SCC(=O)N1CCOCC1 62a_100000183410_200025704644 [0,1,0,0,0,1|2,0,0]=4 2041 B11R1.16 [13CH3]SCC(=O)N1CCOCC1 62a_200025704644_100000183410 [0,1,0,0,0,1|2,0,0]=4 2042 B11R1.22 C=C1CCC(CC1)C(=O)CC 1458a_200000138047_100000210202 [0,1,0,0,0,1|1,0,1]=4 2043 B11R1.22 C=C1CCN(CC1)C(=O)CC 11a_100000752442_100000210414 [0,1,0,0,0,1|2,0,0]=4 2044 B11R1.22 C=C1CCN(CC1)C(=O)CC 1626a_100000752442_100000210414 [0,1,0,0,0,1|2,0,0]=4 2045 B11R1.22 C=C1CCN(CC1)C(=O)CC 240690a_100000752442_100000210414 [0,1,0,0,0,1|2,0,0]=4 2046 B11R1.22 C=C1CCN(CC1)C(=O)CC 527a_100000752442_100000210414 [0,1,0,0,0,1|2,0,0]=4 2047 B11R1.22 CCC(=O)C1=NNC(=O)CC1 1458a_100000183032_100000210202 [0,1,0,0,0,1|0,0,1]=3 2048 B11R1.22 CCC(=O)C1CCC(CC1)C 1458a_100000210414_200011216234 [0,1,0,0,0,1|1,0,1]=4 2049 B11R1.22 CCC(=O)C1CCC(CC1)O 1458a_100000743365_100000210202 [0,1,0,0,0,1|1,0,1]=4 2050 B11R1.22 CCC(=O)C1CCN(CC1)C 1458a_100000743488_100000210202 [0,1,0,0,0,1|1,0,1]=4 2051 B11R1.22 CCC(=O)N1CCC(CC1)C 240690a_100000188429_100000210414 [0,1,0,0,0,1|2,0,0]=4 2052 B11R1.22 CCC(=O)N1CCC(CC1)C 527a_100000188429_100000210414 [0,1,0,0,0,1|2,0,0]=4 2053 B11R1.22 CCC(=O)N1CCC(CC1)F 11a_100015193889_100000210414 [0,1,0,0,0,1|2,0,0]=4 2054 B11R1.22 CCC(=O)N1CCC(CC1)F 1626a_100015193889_100000210414 [0,1,0,0,0,1|2,0,0]=4 2055 B11R1.22 CCC(=O)N1CCC(CC1)F 240690a_100015193889_100000210414 [0,1,0,0,0,1|2,0,0]=4 2056 B11R1.22 CCC(=O)N1CCC(CC1)F 527a_100015193889_100000210414 [0,1,0,0,0,1|2,0,0]=4 2057 B11R1.22 CCC(=O)N1CCC(CC1)O 240690a_100025773856_100000210414 [0,1,0,0,0,1|2,0,0]=4 2058 B11R1.22 CCC(=O)N1CCC(CC1)O 527a_100025773856_100000210414 [0,1,0,0,0,1|2,0,0]=4 2059 B11R1.22 CCC(=O)N1CCN(CC1)C 11a_100000188432_100000210414 [0,1,0,0,0,1|2,0,0]=4 2060 B11R1.22 CCC(=O)N1CCN(CC1)C 2230a_100000749825_200000210301 [0,1,0,0,0,1|2,0,0]=4 2061 B11R1.22 CCC(=O)N1CCN(CC1)C 240690a_100000188432_100000210414 [0,1,0,0,0,1|2,0,0]=4 2062 B11R1.22 CCC(=O)N1CCN(CC1)C 269982a_100000749825_200000210301 [0,1,0,0,0,1|2,0,0]=4 2063 B11R1.22 CCC(=O)N1CCN(CC1)C 527a_100000188432_100000210414 [0,1,0,0,0,1|2,0,0]=4 2064 B11R1.22 CCC(=O)N1CCN(CC1)[13CH3] 2230a_100000749825_200025704644 [0,1,0,0,0,1|2,0,0]=4 2065 B11R1.22 CCC(=O)N1CCN(CC1)[13CH3] 269982a_100000749825_200025704644 [0,1,0,0,0,1|2,0,0]=4 2066 B11R1.22 CCC(=O)N1CCS(=O)CC1 240690a_100000752083_100000210414 [0,1,0,0,0,1|2,0,0]=4 2067 B11R1.22 CCC(=O)N1CCS(=O)CC1 527a_100000752083_100000210414 [0,1,0,0,0,1|2,0,0]=4 2068 B11R1.22 CCC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_100000210202 [0,1,0,0,0,1|1,0,1]=4 2069 B11R1.22 CNC(=O)C1=NNC(=O)CC1 240690a_100102657272_100000183032 [0,1,0,0,0,1|1,0,1]=4 2070 B11R1.22 COC(=O)C1=CCN(CC1)C 2230a_100020587139_200000210301 [0,1,0,0,0,1|2,0,0]=4 2071 B11R1.22 COC(=O)C1=CCN(CC1)C 269982a_100020587139_200000210301 [0,1,0,0,0,1|2,0,0]=4 2072 B11R1.22 COC(=O)C1=CCN(CC1)[13CH3] 2230a_100020587139_200025704644 [0,1,0,0,0,1|2,0,0]=4 2073 B11R1.22 COC(=O)C1=CCN(CC1)[13CH3] 269982a_100020587139_200025704644 [0,1,0,0,0,1|2,0,0]=4 2074 B11R1.22 O=C1CCC(=NN1)C(=O)CF 1458a_100000183032_100015361967 [0,1,0,0,0,1|1,0,1]=4 2075 B11R1.23 CCC(=O)C1CCCC(C1)C 1458a_100011215569_100000210202 [0,1,0,0,0,1|1,0,1]=4 2076 B11R1.23 CCC(=O)C1CCCC(C1)O 1458a_100000707227_100000210202 [0,1,0,0,0,1|1,0,1]=4 2077 B11R1.23 CCC(=O)C1CCCN(C1)C 1458a_100015257587_100000210202 [0,1,0,0,0,1|0,0,2]=4 2078 B11R1.23 CCC(=O)C1CN(CCO1)C 1458a_100011543126_100000210202 [0,1,0,0,0,1|1,0,1]=4 2079 B11R1.23 CCC(=O)N1CCCC(C1)F 11a_100000697950_100000210414 [0,1,0,0,0,1|2,0,0]=4 2080 B11R1.23 CCC(=O)N1CCCC(C1)F 1626a_100000697950_100000210414 [0,1,0,0,0,1|2,0,0]=4 2081 B11R1.23 CCC(=O)N1CCCC(C1)F 240690a_100000697950_100000210414 [0,1,0,0,0,1|2,0,0]=4 2082 B11R1.23 CCC(=O)N1CCCC(C1)F 527a_100000697950_100000210414 [0,1,0,0,0,1|2,0,0]=4 2083 B11R1.23 CCC(=O)N1CCCC(C1)O 240690a_100000211013_100000210414 [0,1,0,0,0,1|2,0,0]=4 2084 B11R1.23 CCC(=O)N1CCCC(C1)O 527a_100000211013_100000210414 [0,1,0,0,0,1|2,0,0]=4 2085 B11R1.23 CCC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100000210414 [0,1,0,0,0,1|2,0,0]=4 2086 B11R1.23 CCC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100000210414 [0,1,0,0,0,1|2,0,0]=4 2087 B11R1.23 CCC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100000210414 [0,1,0,0,0,1|2,0,0]=4 2088 B11R1.23 CCC(=O)N1CCOC(C1)C 11a_100000729577_100000210414 [0,1,0,0,0,1|2,0,0]=4 2089 B11R1.23 CCC(=O)N1CCOC(C1)C 1626a_100000729577_100000210414 [0,1,0,0,0,1|2,0,0]=4 2090 B11R1.23 CCC(=O)N1CCOC(C1)C 240690a_100000729577_100000210414 [0,1,0,0,0,1|2,0,0]=4 2091 B11R1.23 CCC(=O)N1CCOC(C1)C 527a_100000729577_100000210414 [0,1,0,0,0,1|2,0,0]=4 2092 B11R1.23 CCC(=O)N1CCOC(C1)O 11a_100000688207_100000210414 [0,1,0,0,0,1|2,0,0]=4 2093 B11R1.23 CCC(=O)N1CCOC(C1)O 240690a_100000688207_100000210414 [0,1,0,0,0,1|2,0,0]=4 2094 B11R1.23 CCC(=O)N1CCOC(C1)O 527a_100000688207_100000210414 [0,1,0,0,0,1|2,0,0]=4 2095 B11R1.23 CCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210202 [0,1,0,0,0,1|0,0,2]=4 2096 B11R1.23 CNC(=O)C1=CCCN(C1)C 240690a_100102657272_100020639683 [0,1,0,0,0,1|2,0,0]=4 2097 B11R1.36 CC(C)C(=O)C1=CCCCC1 1458a_100000765259_100000210206 [0,1,0,0,0,1|1,0,0]=3 2098 B11R1.36 CC(C)C(=O)C1=CCCCO1 1458a_100000764163_100000210206 [0,1,0,0,0,1|1,0,0]=3 2099 B11R1.36 CC(C)C(=O)C1=COCCC1 1458a_100000749935_100000210206 [0,1,0,0,0,1|1,0,0]=3 2100 B11R1.36 CC(C)C(=O)C1=COCCO1 1458a_100000008702_100000210206 [0,1,0,0,0,1|1,0,1]=4 2101 B11R1.36 CC(C)C(=O)C1C=CCCC1 1458a_100000210198_100000751183 [0,1,0,0,0,1|1,0,1]=4 2102 B11R1.36 CC(C)C(=O)C1CCCCC1 1458a_100000210198_100000210327 [0,1,0,0,0,1|1,0,1]=4 2103 B11R1.36 CC(C)C(=O)C1CCCCC1 1458a_100000210647_100000210206 [0,1,0,0,0,1|1,0,1]=4 2104 B11R1.36 CC(C)C(=O)C1CCCCO1 1458a_100000748299_100000210206 [0,1,0,0,0,1|1,0,1]=4 2105 B11R1.36 CC(C)C(=O)C1CCCOC1 1458a_100000210198_100000693364 [0,1,0,0,0,1|1,0,1]=4 2106 B11R1.36 CC(C)C(=O)C1CCCOC1 1458a_100000741522_100000210206 [0,1,0,0,0,1|1,0,1]=4 2107 B11R1.36 CC(C)C(=O)C1CCOCC1 1458a_100000195482_100000210206 [0,1,0,0,0,1|1,0,1]=4 2108 B11R1.36 CC(C)C(=O)C1CCOCC1 1458a_100000210198_100011324220 [0,1,0,0,0,1|1,0,1]=4 2109 B11R1.36 CC(C)C(=O)C1CCSCC1 1458a_100000755232_100000210206 [0,1,0,0,0,1|1,0,1]=4 2110 B11R1.36 CC(C)C(=O)C1COCCO1 1458a_100000045528_100000210206 [0,1,0,0,0,1|1,0,1]=4 2111 B11R1.36 CC(C)C(=O)C1SCCCS1 1458a_100000028545_100000210206 [0,1,0,0,0,1|1,0,1]=4 2112 B11R1.36 CC(C)C(=O)N1CCCOC1 11a_100000131196_100000210198 [0,1,0,0,0,1|2,0,0]=4 2113 B11R1.36 CC(C)C(=O)N1CCCOC1 240690a_100000131196_100000210198 [0,1,0,0,0,1|2,0,0]=4 2114 B11R1.36 CC(C)C(=O)N1CCOCC1 11a_100015191051_100000210198 [0,1,0,0,0,1|2,0,0]=4 2115 B11R1.36 CC(C)C(=O)N1CCOCC1 1626a_100015191051_100000210198 [0,1,0,0,0,1|2,0,0]=4 2116 B11R1.36 CC(C)C(=O)N1CCOCC1 240690a_100015191051_100000210198 [0,1,0,0,0,1|2,0,0]=4 2117 B11R1.36 CC(C)C(=O)N1CCOCC1 527a_100015191051_100000210198 [0,1,0,0,0,1|2,0,0]=4 2118 B11R1.36 CC(C)C(=O)N1CCSCC1 11a_100000737611_100000210198 [0,1,0,0,0,1|2,0,0]=4 2119 B11R1.36 CC(C)C(=O)N1CCSCC1 240690a_100000737611_100000210198 [0,1,0,0,0,1|2,0,0]=4 2120 B11R1.36 CC(C)C(=O)N1CCSCC1 527a_100000737611_100000210198 [0,1,0,0,0,1|2,0,0]=4 2121 B11R1.36 CC(F)C(=O)C1C=CCCC1 1458a_100000062450_100000751183 [0,1,0,0,0,1|1,0,1]=4 2122 B11R1.36 CC(F)C(=O)C1CCCCC1 1458a_100000062450_100000210327 [0,1,0,0,0,1|1,0,1]=4 2123 B11R1.36 CC(F)C(=O)C1CCCOC1 1458a_100000062450_100000693364 [0,1,0,0,0,1|1,0,1]=4 2124 B11R1.36 CC(F)C(=O)C1CCOCC1 1458a_100000062450_100011324220 [0,1,0,0,0,1|1,0,1]=4 2125 B11R1.36 CC(F)C(=O)N1CCCOC1 11a_100000131196_100000062450 [0,1,0,0,0,1|2,0,0]=4 2126 B11R1.36 CC(F)C(=O)N1CCCOC1 240690a_100000131196_100000062450 [0,1,0,0,0,1|2,0,0]=4 2127 B11R1.36 CC(F)C(=O)N1CCOCC1 11a_100015191051_100000062450 [0,1,0,0,0,1|2,0,0]=4 2128 B11R1.36 CC(F)C(=O)N1CCOCC1 1626a_100015191051_100000062450 [0,1,0,0,0,1|2,0,0]=4 2129 B11R1.36 CC(F)C(=O)N1CCOCC1 240690a_100015191051_100000062450 [0,1,0,0,0,1|2,0,0]=4 2130 B11R1.36 CC(F)C(=O)N1CCOCC1 527a_100015191051_100000062450 [0,1,0,0,0,1|2,0,0]=4 2131 B11R1.36 CC(F)C(=O)N1CCSCC1 11a_100000737611_100000062450 [0,1,0,0,0,1|2,0,0]=4 2132 B11R1.36 CC(F)C(=O)N1CCSCC1 240690a_100000737611_100000062450 [0,1,0,0,0,1|2,0,0]=4 2133 B11R1.36 CC(F)C(=O)N1CCSCC1 527a_100000737611_100000062450 [0,1,0,0,0,1|2,0,0]=4 2134 B11R1.36 CN(C)C(=O)C1=CCCCC1 11a_100102631434_100000765259 [0,1,0,0,0,1|2,0,0]=4 2135 B11R1.36 CN(C)C(=O)C1=CCCCC1 1626a_100102631434_100000765259 [0,1,0,0,0,1|2,0,0]=4 2136 B11R1.36 CN(C)C(=O)C1=CCCCC1 240690a_100102631434_100000765259 [0,1,0,0,0,1|2,0,0]=4 2137 B11R1.36 CN(C)C(=O)C1=CCCCC1 527a_100102631434_100000765259 [0,1,0,0,0,1|2,0,0]=4 2138 B11R1.36 CN(C)C(=O)C1=CCCCO1 11a_100102631434_100000764163 [0,1,0,0,0,1|2,0,0]=4 2139 B11R1.36 CN(C)C(=O)C1=CCCCO1 1626a_100102631434_100000764163 [0,1,0,0,0,1|2,0,0]=4 2140 B11R1.36 CN(C)C(=O)C1=CCCCO1 240690a_100102631434_100000764163 [0,1,0,0,0,1|2,0,0]=4 2141 B11R1.36 CN(C)C(=O)C1=CCCCO1 527a_100102631434_100000764163 [0,1,0,0,0,1|2,0,0]=4 2142 B11R1.36 CN(C)C(=O)C1=COCCC1 1626a_100102631434_100000749935 [0,1,0,0,0,1|2,0,0]=4 2143 B11R1.36 CN(C)C(=O)C1=COCCC1 527a_100102631434_100000749935 [0,1,0,0,0,1|2,0,0]=4 2144 B11R1.36 C[C@@H](O)C(=O)C1C=CCCC1 1458a_100000717761_100000751183 [0,1,0,0,0,1|1,0,1]=4 2145 B11R1.36 C[C@@H](O)C(=O)C1CCCCC1 1458a_100000717761_100000210327 [0,1,0,0,0,1|1,0,1]=4 2146 B11R1.36 C[C@@H](O)C(=O)C1CCCOC1 1458a_100000717761_100000693364 [0,1,0,0,0,1|1,0,1]=4 2147 B11R1.36 C[C@@H](O)C(=O)C1CCOCC1 1458a_100000717761_100011324220 [0,1,0,0,0,1|1,0,1]=4 2148 B11R1.36 C[C@@H](O)C(=O)N1CCCOC1 240690a_100000131196_100000717761 [0,1,0,0,0,1|2,0,0]=4 2149 B11R1.36 C[C@@H](O)C(=O)N1CCOCC1 240690a_100015191051_100000717761 [0,1,0,0,0,1|2,0,0]=4 2150 B11R1.36 C[C@@H](O)C(=O)N1CCSCC1 240690a_100000737611_100000717761 [0,1,0,0,0,1|2,0,0]=4 2151 B11R1.36 C[C@H](O)C(=O)C1C=CCCC1 1458a_217856618621_100000751183 [0,1,0,0,0,1|1,0,1]=4 2152 B11R1.36 C[C@H](O)C(=O)C1CCCCC1 1458a_217856618621_100000210327 [0,1,0,0,0,1|1,0,1]=4 2153 B11R1.36 C[C@H](O)C(=O)C1CCCOC1 1458a_217856618621_100000693364 [0,1,0,0,0,1|1,0,1]=4 2154 B11R1.36 C[C@H](O)C(=O)C1CCOCC1 1458a_217856618621_100011324220 [0,1,0,0,0,1|1,0,1]=4 2155 B11R1.36 C[C@H](O)C(=O)N1CCCOC1 240690a_100000131196_217856618621 [0,1,0,0,0,1|2,0,0]=4 2156 B11R1.36 C[C@H](O)C(=O)N1CCOCC1 1626a_100015191051_217856618621 [0,1,0,0,0,1|2,0,0]=4 2157 B11R1.36 C[C@H](O)C(=O)N1CCOCC1 240690a_100015191051_217856618621 [0,1,0,0,0,1|2,0,0]=4 2158 B11R1.36 C[C@H](O)C(=O)N1CCSCC1 240690a_100000737611_217856618621 [0,1,0,0,0,1|2,0,0]=4 2159 B11R1.222 CCC(=O)C1=C(OCCO1)C 1458a_100000068647_100000210202 [0,1,0,0,0,1|1,0,1]=4 2160 B11R1.222 CCC(=O)C1CCCCC1=O 1458a_100000210414_100000204591 [0,1,0,0,0,1|1,0,1]=4 2161 B11R1.222 CCC(=O)C1CCCCC1C 1458a_100011215568_100000210202 [0,1,0,0,0,1|1,0,1]=4 2162 B11R1.222 CCC(=O)C1CCCCC1O 1458a_100011803323_100000210202 [0,1,0,0,0,1|1,0,1]=4 2163 B11R1.222 CCC(=O)C1CCCNC1=O 1458a_100000087122_100000210202 [0,1,0,0,0,1|0,0,2]=4 2164 B11R1.222 CCC(=O)C1CCCNC1=O 1458a_100000210414_100000687798 [0,1,0,0,0,1|0,0,2]=4 2165 B11R1.222 CCC(=O)C1COCCC1=O 1458a_100000210414_100012180262 [0,1,0,0,0,1|1,0,1]=4 2166 B11R1.222 CCC(=O)N1CCCCC1C 11a_100000211376_100000210414 [0,1,0,0,0,1|2,0,0]=4 2167 B11R1.222 CCC(=O)N1CCCCC1C 1626a_100000211376_100000210414 [0,1,0,0,0,1|2,0,0]=4 2168 B11R1.222 CCC(=O)N1CCCCC1C 240690a_100000211376_100000210414 [0,1,0,0,0,1|2,0,0]=4 2169 B11R1.222 CCC(=O)N1CCCCC1C 527a_100000211376_100000210414 [0,1,0,0,0,1|2,0,0]=4 2170 B11R1.222 CCC(=O)N1CCOC[C@@H]1C 11a_100009815349_100000210414 [0,1,0,0,0,1|2,0,0]=4 2171 B11R1.222 CCC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100000210414 [0,1,0,0,0,1|2,0,0]=4 2172 B11R1.222 CCC(=O)N1CCOC[C@@H]1C 527a_100009815349_100000210414 [0,1,0,0,0,1|2,0,0]=4 2173 B11R1.222 CCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000210202 [0,1,0,0,0,1|0,0,2]=4 2174 B11R1.878 CCC(=O)C1(CCCCC1)C 1458a_100000762840_100000210202 [0,1,0,0,0,1|1,0,1]=4 2175 B11R1.878 CCC(=O)C1(CCCCC1)F 1458a_100000069003_100000210202 [0,1,0,0,0,1|1,0,1]=4 2176 B11R1.878 CCC(=O)C1(CCCCC1)O 1458a_100000242742_100000210202 [0,1,0,0,0,1|1,0,1]=4 2177 B11R1.878 CCC(=O)C1(CCOCC1)C 1458a_100000749465_100000210202 [0,1,0,0,0,1|1,0,1]=4 2178 B11R1.878 CCC(=O)C1(CCOCC1)F 1458a_100009845733_100000210202 [0,1,0,0,0,1|1,0,1]=4 2179 B11R1.878 CCC(=O)C1(CCOCC1)O 1458a_100000751969_100000210202 [0,1,0,0,0,1|1,0,1]=4 2180 B11R1.30 C#CCC(=O)C=C1CCCC1 1458a_100000743260_100000184674 [0,1,0,0,0,1|1,0,1]=4 2181 B11R1.30 C#CCC(=O)CC1=CCCC1 1458a_100000050221_100000184674 [0,1,0,0,0,1|1,0,1]=4 2182 B11R1.30 C=CCC(=O)C=C1CCCC1 1458a_100000743260_100000210623 [0,1,0,0,0,1|1,0,1]=4 2183 B11R1.30 C=CCC(=O)CC1=CCCC1 1458a_100000050221_100000210623 [0,1,0,0,0,1|1,0,1]=4 2184 B11R1.30 CCCC(=O)C=C1CCCC1 1458a_100000743260_100000210303 [0,1,0,0,0,1|1,0,0]=3 2185 B11R1.30 CCCC(=O)CC1=CCCC1 1458a_100000050221_100000210303 [0,1,0,0,0,1|1,0,0]=3 2186 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000210891_100000210303 [0,1,0,0,0,1|1,0,1]=4 2187 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000211992_100000740388 [0,1,0,0,0,1|1,0,1]=4 2188 B11R1.30 CCCC(=O)CC1CCCO1 1458a_100000211992_100000203698 [0,1,0,0,0,1|1,0,1]=4 2189 B11R1.30 CCCC(=O)CN1CCCC1 1458a_100000740243_100000210303 [0,1,0,0,0,1|2,0,0]=4 2190 B11R1.30 CCCC(=O)CN1CCCC1 2230a_100000188435_100000747444 [0,1,0,0,0,1|2,0,0]=4 2191 B11R1.30 CCCC(=O)CN1CCCC1 269982a_100000188435_100000747444 [0,1,0,0,0,1|2,0,0]=4 2192 B11R1.30 CCCC(=O)NC1CCCC1 11a_100000211070_100000211992 [0,1,0,0,0,1|1,0,1]=4 2193 B11R1.30 CCCC(=O)NC1CCCC1 1626a_100000211070_100000211992 [0,1,0,0,0,1|1,0,1]=4 2194 B11R1.30 CCCC(=O)NC1CCCC1 240690a_100000211070_100000211992 [0,1,0,0,0,1|1,0,1]=4 2195 B11R1.30 CCCC(=O)NC1CCCC1 527a_100000211070_100000211992 [0,1,0,0,0,1|1,0,1]=4 2196 B11R1.30 CCNC(=O)C=C1CCCC1 11a_100015525214_100000743260 [0,1,0,0,0,1|1,0,0]=3 2197 B11R1.30 CCNC(=O)C=C1CCCC1 240690a_100015525214_100000743260 [0,1,0,0,0,1|1,0,0]=3 2198 B11R1.30 CCNC(=O)C=C1CCCC1 527a_100015525214_100000743260 [0,1,0,0,0,1|1,0,0]=3 2199 B11R1.30 CCNC(=O)CC1=CCCC1 11a_100015525214_100000050221 [0,1,0,0,0,1|1,0,0]=3 2200 B11R1.30 CCNC(=O)CC1=CCCC1 240690a_100015525214_100000050221 [0,1,0,0,0,1|1,0,0]=3 2201 B11R1.30 CCNC(=O)CC1=CCCC1 527a_100015525214_100000050221 [0,1,0,0,0,1|1,0,0]=3 2202 B11R1.30 CCNC(=O)CC1CCCC1 11a_100015525214_100000210891 [0,1,0,0,0,1|1,0,1]=4 2203 B11R1.30 CCNC(=O)CC1CCCC1 240690a_100015525214_100000210891 [0,1,0,0,0,1|1,0,1]=4 2204 B11R1.30 CCNC(=O)CC1CCCC1 527a_100015525214_100000210891 [0,1,0,0,0,1|1,0,1]=4 2205 B11R1.30 CCNC(=O)CN1CCCC1 2230a_100000188435_100000183381 [0,1,0,0,0,1|2,0,0]=4 2206 B11R1.30 CCNC(=O)CN1CCCC1 240690a_100015525214_100000740243 [0,1,0,0,0,1|2,0,0]=4 2207 B11R1.30 CCNC(=O)CN1CCCC1 269982a_100000188435_100000183381 [0,1,0,0,0,1|2,0,0]=4 2208 B11R1.30 CCNC(=O)CN1CCCC1 527a_100015525214_100000740243 [0,1,0,0,0,1|2,0,0]=4 2209 B11R1.30 CCNC(=O)NC1CCCC1 2708a_100000211070_100015525214 [0,1,0,0,0,1|1,0,1]=4 2210 B11R1.30 CCNC(=O)NC1CCCC1 2708a_100015525214_100000211070 [0,1,0,0,0,1|1,0,1]=4 2211 B11R1.30 CCNC(=O)NC1CCCC1 273464a_100000211070_100015525214 [0,1,0,0,0,1|1,0,1]=4 2212 B11R1.30 CCNC(=O)NC1CCCC1 273464a_100015525214_100000211070 [0,1,0,0,0,1|1,0,1]=4 2213 B11R1.30 CCNC(=O)NC1CCCC1 512a_100000211070_100015525214 [0,1,0,0,0,1|1,0,1]=4 2214 B11R1.30 CCNC(=O)NC1CCCC1 512a_100015525214_100000211070 [0,1,0,0,0,1|1,0,1]=4 2215 B11R1.30 CCOC(=O)CN1CCCC1 2230a_100000188435_100000188475 [0,1,0,0,0,1|2,0,0]=4 2216 B11R1.30 CCOC(=O)CN1CCCC1 269982a_100000188435_100000188475 [0,1,0,0,0,1|2,0,0]=4 2217 B11R1.30 CNCC(=O)NC1CCCC1 2230a_100000747513_200000210301 [0,1,0,0,0,1|1,0,1]=4 2218 B11R1.30 CNCC(=O)NC1CCCC1 2230a_106832991635_100000183512 [0,1,0,0,0,1|1,0,1]=4 2219 B11R1.30 CNCC(=O)NC1CCCC1 34a_100102657272_100000183512 [0,1,0,0,0,1|1,0,1]=4 2220 B11R1.30 CNCC(=O)NC1CCCC1 7a_106832991635_100000183512 [0,1,0,0,0,1|1,0,1]=4 2221 B11R1.30 CNNC(=O)C=C1CCCC1 22a_100016993582_100000743260 [0,1,0,0,0,1|2,0,0]=4 2222 B11R1.30 CNNC(=O)CC1=CCCC1 22a_100016993582_100000050221 [0,1,0,0,0,1|2,0,0]=4 2223 B11R1.30 COCC(=O)CC1CCCC1 1458a_100000210968_100000740388 [0,1,0,0,0,1|1,0,1]=4 2224 B11R1.30 COCC(=O)CC1CCCO1 1458a_100000210968_100000203698 [0,1,0,0,0,1|1,0,1]=4 2225 B11R1.30 COCC(=O)NC1CCCC1 11a_100000211070_100000210968 [0,1,0,0,0,1|1,0,1]=4 2226 B11R1.30 COCC(=O)NC1CCCC1 1626a_100000211070_100000210968 [0,1,0,0,0,1|1,0,1]=4 2227 B11R1.30 COCC(=O)NC1CCCC1 240690a_100000211070_100000210968 [0,1,0,0,0,1|1,0,1]=4 2228 B11R1.30 COCC(=O)NC1CCCC1 34a_100138415774_100000183512 [0,1,0,0,0,1|1,0,1]=4 2229 B11R1.30 COCC(=O)NC1CCCC1 527a_100000211070_100000210968 [0,1,0,0,0,1|1,0,1]=4 2230 B11R1.30 CSCC(=O)CC1CCCC1 1458a_100000184570_100000740388 [0,1,0,0,0,1|1,0,1]=4 2231 B11R1.30 CSCC(=O)CC1CCCO1 1458a_100000184570_100000203698 [0,1,0,0,0,1|1,0,1]=4 2232 B11R1.30 CSCC(=O)NC1=NCCS1 62a_200000210301_200000080056 [0,1,0,0,0,1|1,0,0]=3 2233 B11R1.30 CSCC(=O)NC1CCCC1 11a_100000211070_100000184570 [0,1,0,0,0,1|1,0,1]=4 2234 B11R1.30 CSCC(=O)NC1CCCC1 1626a_100000211070_100000184570 [0,1,0,0,0,1|1,0,1]=4 2235 B11R1.30 CSCC(=O)NC1CCCC1 240690a_100000211070_100000184570 [0,1,0,0,0,1|1,0,1]=4 2236 B11R1.30 CSCC(=O)NC1CCCC1 527a_100000211070_100000184570 [0,1,0,0,0,1|1,0,1]=4 2237 B11R1.30 CSCC(=O)NC1CCCC1 62a_100000183512_200000210301 [0,1,0,0,0,1|1,0,1]=4 2238 B11R1.30 CSCC(=O)NC1CCCC1 62a_200000210301_100000183512 [0,1,0,0,0,1|1,0,1]=4 2239 B11R1.30 N#CCC(=O)C=C1CCCC1 1458a_100000743260_100011214920 [0,1,0,0,0,1|1,0,1]=4 2240 B11R1.30 N#CCC(=O)CC1=CCCC1 1458a_100000050221_100011214920 [0,1,0,0,0,1|1,0,1]=4 2241 B11R1.30 O=C(C=C1CCCC1)CCF 1458a_100000743260_100011217306 [0,1,0,0,0,1|1,0,0]=3 2242 B11R1.30 O=C(C=C1CCCC1)CCO 1458a_100000743260_100000211926 [0,1,0,0,0,1|1,0,0]=3 2243 B11R1.30 O=C(CCF)CC1=CCCC1 1458a_100000050221_100011217306 [0,1,0,0,0,1|1,0,0]=3 2244 B11R1.30 O=C(CCF)CC1CCCC1 1458a_100000210891_100011217306 [0,1,0,0,0,1|1,0,1]=4 2245 B11R1.30 O=C(CCF)CN1CCCC1 1458a_100000740243_100011217306 [0,1,0,0,0,1|2,0,0]=4 2246 B11R1.30 O=C(CCO)CC1=CCCC1 1458a_100000050221_100000211926 [0,1,0,0,0,1|1,0,0]=3 2247 B11R1.30 O=C(CCO)CC1CCCC1 1458a_100000210891_100000211926 [0,1,0,0,0,1|1,0,1]=4 2248 B11R1.30 O=C(CCO)CC1CCCC1 1458a_100011216618_100000740388 [0,1,0,0,0,1|1,0,1]=4 2249 B11R1.30 O=C(CCO)CC1CCCO1 1458a_100011216618_100000203698 [0,1,0,0,0,1|1,0,1]=4 2250 B11R1.30 O=C(CCO)CN1CCCC1 1458a_100000740243_100000211926 [0,1,0,0,0,1|2,0,0]=4 2251 B11R1.30 O=C(CCO)NC1CCCC1 240690a_100000211070_100011216618 [0,1,0,0,0,1|1,0,1]=4 2252 B11R1.30 [13CH3]NCC(=O)NC1CCCC1 2230a_100000747513_200025704644 [0,1,0,0,0,1|1,0,1]=4 2253 B11R1.30 [13CH3]SCC(=O)NC1=NCCS1 62a_200025704644_200000080056 [0,1,0,0,0,1|1,0,0]=3 2254 B11R1.30 [13CH3]SCC(=O)NC1CCCC1 62a_100000183512_200025704644 [0,1,0,0,0,1|1,0,1]=4 2255 B11R1.30 [13CH3]SCC(=O)NC1CCCC1 62a_200025704644_100000183512 [0,1,0,0,0,1|1,0,1]=4 2256 B11R1.31 CCC(=O)C(C)N1CCCC1 1458a_100025750167_100000210202 [0,1,0,0,0,1|2,0,0]=4 2257 B11R1.31 CCC(=O)C(C)N1CCCC1 2230a_100000188435_100000742827 [0,1,0,0,0,1|2,0,0]=4 2258 B11R1.31 CCC(=O)C(C)N1CCCC1 269982a_100000188435_100000742827 [0,1,0,0,0,1|2,0,0]=4 2259 B11R1.31 CCC(=O)N(C)C1CCCC1 11a_100000207505_100000210414 [0,1,0,0,0,1|1,0,1]=4 2260 B11R1.31 CCC(=O)N(C)C1CCCC1 1626a_100000207505_100000210414 [0,1,0,0,0,1|1,0,1]=4 2261 B11R1.31 CCC(=O)N(C)C1CCCC1 240690a_100000207505_100000210414 [0,1,0,0,0,1|1,0,1]=4 2262 B11R1.31 CCC(=O)N(C)C1CCCC1 527a_100000207505_100000210414 [0,1,0,0,0,1|1,0,1]=4 2263 B11R1.35 CC(C)C(=O)C=C1CCCC1 1458a_100000743260_100000210206 [0,1,0,0,0,1|1,0,0]=3 2264 B11R1.35 CC(C)C(=O)CC1=CCCC1 1458a_100000050221_100000210206 [0,1,0,0,0,1|1,0,0]=3 2265 B11R1.35 CC(C)C(=O)CC1CCCC1 1458a_100000210198_100000740388 [0,1,0,0,0,1|1,0,1]=4 2266 B11R1.35 CC(C)C(=O)CC1CCCC1 1458a_100000210891_100000210206 [0,1,0,0,0,1|1,0,1]=4 2267 B11R1.35 CC(C)C(=O)CC1CCCO1 1458a_100000210198_100000203698 [0,1,0,0,0,1|1,0,1]=4 2268 B11R1.35 CC(C)C(=O)CN1CCCC1 1458a_100000740243_100000210206 [0,1,0,0,0,1|2,0,0]=4 2269 B11R1.35 CC(C)C(=O)CN1CCCC1 2230a_100000188435_100000753385 [0,1,0,0,0,1|2,0,0]=4 2270 B11R1.35 CC(C)C(=O)CN1CCCC1 269982a_100000188435_100000753385 [0,1,0,0,0,1|2,0,0]=4 2271 B11R1.35 CC(C)C(=O)NC1CCCC1 11a_100000211070_100000210198 [0,1,0,0,0,1|1,0,1]=4 2272 B11R1.35 CC(C)C(=O)NC1CCCC1 1626a_100000211070_100000210198 [0,1,0,0,0,1|1,0,1]=4 2273 B11R1.35 CC(C)C(=O)NC1CCCC1 240690a_100000211070_100000210198 [0,1,0,0,0,1|1,0,1]=4 2274 B11R1.35 CC(C)C(=O)NC1CCCC1 527a_100000211070_100000210198 [0,1,0,0,0,1|1,0,1]=4 2275 B11R1.35 CC(F)C(=O)CC1CCCC1 1458a_100000062450_100000740388 [0,1,0,0,0,1|1,0,1]=4 2276 B11R1.35 CC(F)C(=O)CC1CCCO1 1458a_100000062450_100000203698 [0,1,0,0,0,1|1,0,1]=4 2277 B11R1.35 CC(F)C(=O)NC1CCCC1 11a_100000211070_100000062450 [0,1,0,0,0,1|1,0,1]=4 2278 B11R1.35 CC(F)C(=O)NC1CCCC1 1626a_100000211070_100000062450 [0,1,0,0,0,1|1,0,1]=4 2279 B11R1.35 CC(F)C(=O)NC1CCCC1 240690a_100000211070_100000062450 [0,1,0,0,0,1|1,0,1]=4 2280 B11R1.35 CC(F)C(=O)NC1CCCC1 527a_100000211070_100000062450 [0,1,0,0,0,1|1,0,1]=4 2281 B11R1.35 CN(C)C(=O)C=C1CCCC1 11a_100102631434_100000743260 [0,1,0,0,0,1|2,0,0]=4 2282 B11R1.35 CN(C)C(=O)C=C1CCCC1 1626a_100102631434_100000743260 [0,1,0,0,0,1|2,0,0]=4 2283 B11R1.35 CN(C)C(=O)C=C1CCCC1 240690a_100102631434_100000743260 [0,1,0,0,0,1|2,0,0]=4 2284 B11R1.35 CN(C)C(=O)C=C1CCCC1 527a_100102631434_100000743260 [0,1,0,0,0,1|2,0,0]=4 2285 B11R1.35 CN(C)C(=O)CC1=CCCC1 11a_100102631434_100000050221 [0,1,0,0,0,1|2,0,0]=4 2286 B11R1.35 CN(C)C(=O)CC1=CCCC1 1626a_100102631434_100000050221 [0,1,0,0,0,1|2,0,0]=4 2287 B11R1.35 CN(C)C(=O)CC1=CCCC1 240690a_100102631434_100000050221 [0,1,0,0,0,1|2,0,0]=4 2288 B11R1.35 CN(C)C(=O)CC1=CCCC1 527a_100102631434_100000050221 [0,1,0,0,0,1|2,0,0]=4 2289 B11R1.35 C[C@@H](O)C(=O)CC1CCCC1 1458a_100000717761_100000740388 [0,1,0,0,0,1|1,0,1]=4 2290 B11R1.35 C[C@@H](O)C(=O)CC1CCCO1 1458a_100000717761_100000203698 [0,1,0,0,0,1|1,0,1]=4 2291 B11R1.35 C[C@@H](O)C(=O)NC1CCCC1 240690a_100000211070_100000717761 [0,1,0,0,0,1|1,0,1]=4 2292 B11R1.35 C[C@H](O)C(=O)CC1CCCC1 1458a_217856618621_100000740388 [0,1,0,0,0,1|1,0,1]=4 2293 B11R1.35 C[C@H](O)C(=O)CC1CCCO1 1458a_217856618621_100000203698 [0,1,0,0,0,1|1,0,1]=4 2294 B11R1.35 C[C@H](O)C(=O)NC1CCCC1 1626a_100000211070_217856618621 [0,1,0,0,0,1|1,0,1]=4 2295 B11R1.35 C[C@H](O)C(=O)NC1CCCC1 240690a_100000211070_217856618621 [0,1,0,0,0,1|1,0,1]=4 2296 B11R1.39 CCC(=O)CN1CCC(=N1)C 1458a_100015183194_100000210202 [0,1,0,0,0,1|1,0,1]=4 2297 B11R1.39 CCC(=O)CN1CCC(C1)O 269982a_100011215560_100000747405 [0,1,0,0,0,1|2,0,0]=4 2298 B11R1.39 CCC(=O)CN1CC[C@@H](C1)F 269982a_100015203821_100000747405 [0,1,0,0,0,1|2,0,0]=4 2299 B11R1.39 CCC(=O)CN1CC[C@H](C1)C 269982a_100016987628_100000747405 [0,1,0,0,0,1|2,0,0]=4 2300 B11R1.39 CCC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100000210414 [0,1,0,0,0,1|1,0,1]=4 2301 B11R1.39 CCC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100000210414 [0,1,0,0,0,1|1,0,1]=4 2302 B11R1.228 CCC(=O)CN1CCCC1=O 1458a_100000189602_100000210202 [0,1,0,0,0,1|2,0,0]=4 2303 B11R1.228 CCC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000747405 [0,1,0,0,0,1|2,0,0]=4 2304 B11R1.228 CCC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000747405 [0,1,0,0,0,1|2,0,0]=4 2305 B11R1.228 CCC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100000210414 [0,1,0,0,0,1|1,0,1]=4 2306 B11R1.228 CCC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000210414 [0,1,0,0,0,1|1,0,1]=4 2307 B11R1.15 CCCC(=O)C1CCC(C1)O 1458a_100000688591_100000210303 [0,2,0,0,0,0|1,0,1]=4 2308 B11R1.15 CCCC(=O)N1CCC(C1)O 240690a_100011215560_100000211992 [0,2,0,0,0,0|2,0,0]=4 2309 B11R1.15 CCCC(=O)N1CCC(C1)O 527a_100011215560_100000211992 [0,2,0,0,0,0|2,0,0]=4 2310 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000211992 [0,2,0,0,0,0|2,0,0]=4 2311 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000211992 [0,2,0,0,0,0|2,0,0]=4 2312 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000211992 [0,2,0,0,0,0|2,0,0]=4 2313 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000211992 [0,2,0,0,0,0|2,0,0]=4 2314 B11R1.15 CCCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000211992 [0,2,0,0,0,0|2,0,0]=4 2315 B11R1.15 CCCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000211992 [0,2,0,0,0,0|2,0,0]=4 2316 B11R1.15 CCCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000211992 [0,2,0,0,0,0|2,0,0]=4 2317 B11R1.15 CCNC(=O)C1=NNC(=O)C1 240690a_100015525214_200000752725 [0,2,0,0,0,0|1,0,1]=4 2318 B11R1.15 CCNC(=O)C1=NNC(=O)C1 527a_100015525214_200000752725 [0,2,0,0,0,0|1,0,1]=4 2319 B11R1.15 CCNC(=O)C1CCC(C1)O 240690a_100015525214_100000688591 [0,2,0,0,0,0|1,0,1]=4 2320 B11R1.15 CCNC(=O)N1CCC(C1)O 2708a_100015525214_100011215560 [0,2,0,0,0,0|2,0,0]=4 2321 B11R1.15 CCNC(=O)N1CCC(C1)O 273464a_100015525214_100011215560 [0,2,0,0,0,0|2,0,0]=4 2322 B11R1.15 CCNC(=O)N1CC[C@@H](C1)F 2708a_100015525214_100015203821 [0,2,0,0,0,0|2,0,0]=4 2323 B11R1.15 CCNC(=O)N1CC[C@@H](C1)F 273464a_100015525214_100015203821 [0,2,0,0,0,0|2,0,0]=4 2324 B11R1.15 CCNC(=O)N1CC[C@H](C1)C 2708a_100015525214_100016987628 [0,2,0,0,0,0|2,0,0]=4 2325 B11R1.15 CCNC(=O)N1CC[C@H](C1)C 273464a_100015525214_100016987628 [0,2,0,0,0,0|2,0,0]=4 2326 B11R1.15 COCC(=O)N1CCC(C1)O 240690a_100011215560_100000210968 [0,2,0,0,0,0|2,0,0]=4 2327 B11R1.15 COCC(=O)N1CCC(C1)O 527a_100011215560_100000210968 [0,2,0,0,0,0|2,0,0]=4 2328 B11R1.15 COCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000210968 [0,2,0,0,0,0|2,0,0]=4 2329 B11R1.15 COCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000210968 [0,2,0,0,0,0|2,0,0]=4 2330 B11R1.15 COCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000210968 [0,2,0,0,0,0|2,0,0]=4 2331 B11R1.15 COCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000210968 [0,2,0,0,0,0|2,0,0]=4 2332 B11R1.15 COCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000210968 [0,2,0,0,0,0|2,0,0]=4 2333 B11R1.15 COCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210968 [0,2,0,0,0,0|2,0,0]=4 2334 B11R1.15 COCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000210968 [0,2,0,0,0,0|2,0,0]=4 2335 B11R1.15 CSCC(=O)N1CCC(C1)O 240690a_100011215560_100000184570 [0,2,0,0,0,0|2,0,0]=4 2336 B11R1.15 CSCC(=O)N1CCC(C1)O 527a_100011215560_100000184570 [0,2,0,0,0,0|2,0,0]=4 2337 B11R1.15 CSCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000184570 [0,2,0,0,0,0|2,0,0]=4 2338 B11R1.15 CSCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000184570 [0,2,0,0,0,0|2,0,0]=4 2339 B11R1.15 CSCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000184570 [0,2,0,0,0,0|2,0,0]=4 2340 B11R1.15 CSCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000184570 [0,2,0,0,0,0|2,0,0]=4 2341 B11R1.15 CSCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000184570 [0,2,0,0,0,0|2,0,0]=4 2342 B11R1.15 CSCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000184570 [0,2,0,0,0,0|2,0,0]=4 2343 B11R1.15 CSCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000184570 [0,2,0,0,0,0|2,0,0]=4 2344 B11R1.15 C[C@@H]1CCN(C1)C(=O)CCO 240690a_100016987628_100011216618 [0,2,0,0,0,0|2,0,0]=4 2345 B11R1.15 O=C(CCF)C1CCC(C1)O 1458a_100000688591_100011217306 [0,2,0,0,0,0|1,0,1]=4 2346 B11R1.15 O=C(CCO)C1CCC(C1)O 1458a_100000688591_100000211926 [0,2,0,0,0,0|1,0,1]=4 2347 B11R1.15 O=C(CCO)N1CCC(C1)O 240690a_100011215560_100011216618 [0,2,0,0,0,0|2,0,0]=4 2348 B11R1.15 O=C(CCO)N1CC[C@@H](C1)F 240690a_100015203821_100011216618 [0,2,0,0,0,0|2,0,0]=4 2349 B11R1.29 C#CCCC(=O)C1=CCCC1 1458a_100000038896_100000753159 [0,2,0,0,0,0|1,0,0]=3 2350 B11R1.29 C#CCCC(=O)C1=CCOC1 1458a_100000139269_100000753159 [0,2,0,0,0,0|2,0,0]=4 2351 B11R1.29 C#CCCC(=O)C1=COCC1 1458a_100000750620_100000753159 [0,2,0,0,0,0|2,0,0]=4 2352 B11R1.29 C#CCCC(=O)C1CCCC1 1458a_100000210718_100000753159 [0,2,0,0,0,0|1,0,1]=4 2353 B11R1.29 C#CCCC(=O)C1CCCC1 1458a_100000692101_100000179811 [0,2,0,0,0,0|1,0,1]=4 2354 B11R1.29 C#CCCC(=O)C1CCCS1 1458a_100012002731_100000753159 [0,2,0,0,0,0|1,0,1]=4 2355 B11R1.29 C#CCCC(=O)N1CCCC1 240690a_100000188435_100000692101 [0,2,0,0,0,0|2,0,0]=4 2356 B11R1.29 C#CCCC(=O)N1CCCC1 527a_100000188435_100000692101 [0,2,0,0,0,0|2,0,0]=4 2357 B11R1.29 C#CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000753159 [0,2,0,0,0,0|1,0,1]=4 2358 B11R1.29 C#CCNC(=O)C1=CCCC1 11a_100000212058_100000038896 [0,2,0,0,0,0|1,0,1]=4 2359 B11R1.29 C#CCNC(=O)C1=CCCC1 1626a_100000212058_100000038896 [0,2,0,0,0,0|1,0,1]=4 2360 B11R1.29 C#CCNC(=O)C1=CCCC1 240690a_100000212058_100000038896 [0,2,0,0,0,0|1,0,1]=4 2361 B11R1.29 C/C=C/CC(=O)C1=CCCC1 1458a_100000038896_100102629194 [0,2,0,0,0,0|1,0,0]=3 2362 B11R1.29 C/C=C/CC(=O)C1=CCOC1 1458a_100000139269_100102629194 [0,2,0,0,0,0|2,0,0]=4 2363 B11R1.29 C/C=C/CC(=O)C1=COCC1 1458a_100000750620_100102629194 [0,2,0,0,0,0|2,0,0]=4 2364 B11R1.29 C/C=C/CC(=O)C1CCCC1 1458a_100000210718_100102629194 [0,2,0,0,0,0|1,0,1]=4 2365 B11R1.29 C/C=C/CC(=O)C1CCCS1 1458a_100012002731_100102629194 [0,2,0,0,0,0|1,0,1]=4 2366 B11R1.29 C/C=C/CC(=O)[C@@H]1CCCO1 1458a_100000686382_100102629194 [0,2,0,0,0,0|1,0,1]=4 2367 B11R1.29 C=CCCC(=O)C1=CCCC1 1458a_100000038896_100000754431 [0,2,0,0,0,0|1,0,0]=3 2368 B11R1.29 C=CCCC(=O)C1=CCOC1 1458a_100000139269_100000754431 [0,2,0,0,0,0|2,0,0]=4 2369 B11R1.29 C=CCCC(=O)C1=COCC1 1458a_100000750620_100000754431 [0,2,0,0,0,0|2,0,0]=4 2370 B11R1.29 C=CCCC(=O)C1CCCC1 1458a_100000210718_100000754431 [0,2,0,0,0,0|1,0,1]=4 2371 B11R1.29 C=CCCC(=O)C1CCCC1 1458a_100000749702_100000179811 [0,2,0,0,0,0|1,0,1]=4 2372 B11R1.29 C=CCCC(=O)C1CCCS1 1458a_100012002731_100000754431 [0,2,0,0,0,0|1,0,1]=4 2373 B11R1.29 C=CCCC(=O)N1CCCC1 240690a_100000188435_100000749702 [0,2,0,0,0,0|2,0,0]=4 2374 B11R1.29 C=CCCC(=O)N1CCCC1 527a_100000188435_100000749702 [0,2,0,0,0,0|2,0,0]=4 2375 B11R1.29 C=CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000754431 [0,2,0,0,0,0|1,0,1]=4 2376 B11R1.29 C=CCNC(=O)C1=CCCC1 1626a_100020586998_100000038896 [0,2,0,0,0,0|1,0,1]=4 2377 B11R1.29 C=CCNC(=O)C1=CCCC1 240690a_100020586998_100000038896 [0,2,0,0,0,0|1,0,1]=4 2378 B11R1.29 CC#CCC(=O)C1=CCCC1 1458a_100000038896_100000748600 [0,2,0,0,0,0|1,0,0]=3 2379 B11R1.29 CC#CCC(=O)C1=CCOC1 1458a_100000139269_100000748600 [0,2,0,0,0,0|2,0,0]=4 2380 B11R1.29 CC#CCC(=O)C1=COCC1 1458a_100000750620_100000748600 [0,2,0,0,0,0|2,0,0]=4 2381 B11R1.29 CC#CCC(=O)C1CCCC1 1458a_100000210718_100000748600 [0,2,0,0,0,0|1,0,1]=4 2382 B11R1.29 CC#CCC(=O)C1CCCS1 1458a_100012002731_100000748600 [0,2,0,0,0,0|1,0,1]=4 2383 B11R1.29 CC#CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000748600 [0,2,0,0,0,0|1,0,1]=4 2384 B11R1.29 CC=CCC(=O)C1=CCCC1 1458a_100000038896_100000070051 [0,2,0,0,0,0|1,0,0]=3 2385 B11R1.29 CC=CCC(=O)C1=CCOC1 1458a_100000139269_100000070051 [0,2,0,0,0,0|2,0,0]=4 2386 B11R1.29 CC=CCC(=O)C1=COCC1 1458a_100000750620_100000070051 [0,2,0,0,0,0|2,0,0]=4 2387 B11R1.29 CC=CCC(=O)C1CCCC1 1458a_100000210718_100000070051 [0,2,0,0,0,0|1,0,1]=4 2388 B11R1.29 CC=CCC(=O)C1CCCC1 1458a_100121576822_100000179811 [0,2,0,0,0,0|1,0,1]=4 2389 B11R1.29 CC=CCC(=O)C1CCCS1 1458a_100012002731_100000070051 [0,2,0,0,0,0|1,0,1]=4 2390 B11R1.29 CC=CCC(=O)N1CCCC1 240690a_100000188435_100121576822 [0,2,0,0,0,0|2,0,0]=4 2391 B11R1.29 CC=CCC(=O)N1CCCC1 527a_100000188435_100121576822 [0,2,0,0,0,0|2,0,0]=4 2392 B11R1.29 CC=CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000070051 [0,2,0,0,0,0|1,0,1]=4 2393 B11R1.29 CCC#CC(=O)C1CCCC1 1458a_100011827653_100000179811 [0,2,0,0,0,0|1,0,1]=4 2394 B11R1.29 CCC=CC(=O)C1CCCC1 1458a_100000212282_100000179811 [0,2,0,0,0,0|1,0,1]=4 2395 B11R1.29 CCC=CC(=O)N1CCCC1 240690a_100000188435_100000212282 [0,2,0,0,0,0|2,0,0]=4 2396 B11R1.29 CCCCC(=O)C1=CCCC1 1458a_100000038896_100000210211 [0,2,0,0,0,0|1,0,0]=3 2397 B11R1.29 CCCCC(=O)C1=CCOC1 1458a_100000139269_100000210211 [0,2,0,0,0,0|2,0,0]=4 2398 B11R1.29 CCCCC(=O)C1=COCC1 1458a_100000750620_100000210211 [0,2,0,0,0,0|2,0,0]=4 2399 B11R1.29 CCCCC(=O)C1CCCC1 1458a_100000210183_100000179811 [0,2,0,0,0,0|1,0,1]=4 2400 B11R1.29 CCCCC(=O)C1CCCC1 1458a_100000210718_100000210211 [0,2,0,0,0,0|1,0,1]=4 2401 B11R1.29 CCCCC(=O)C1CCCS1 1458a_100012002731_100000210211 [0,2,0,0,0,0|1,0,1]=4 2402 B11R1.29 CCCCC(=O)N1CCCC1 240690a_100000188435_100000210183 [0,2,0,0,0,0|2,0,0]=4 2403 B11R1.29 CCCCC(=O)N1CCCC1 527a_100000188435_100000210183 [0,2,0,0,0,0|2,0,0]=4 2404 B11R1.29 CCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210211 [0,2,0,0,0,0|1,0,1]=4 2405 B11R1.29 CCCNC(=O)C1=CCCC1 11a_100020643023_100000038896 [0,2,0,0,0,0|1,0,0]=3 2406 B11R1.29 CCCNC(=O)C1=CCCC1 1626a_100020643023_100000038896 [0,2,0,0,0,0|1,0,0]=3 2407 B11R1.29 CCCNC(=O)C1=CCCC1 240690a_100020643023_100000038896 [0,2,0,0,0,0|1,0,0]=3 2408 B11R1.29 CCCNC(=O)C1=CCOC1 11a_100020643023_100000139269 [0,2,0,0,0,0|2,0,0]=4 2409 B11R1.29 CCCNC(=O)C1=CCOC1 1626a_100020643023_100000139269 [0,2,0,0,0,0|2,0,0]=4 2410 B11R1.29 CCCNC(=O)C1=CCOC1 240690a_100020643023_100000139269 [0,2,0,0,0,0|2,0,0]=4 2411 B11R1.29 CCCNC(=O)C1=COCC1 1626a_100020643023_100000750620 [0,2,0,0,0,0|2,0,0]=4 2412 B11R1.29 CCCNC(=O)C1=COCC1 240690a_100020643023_100000750620 [0,2,0,0,0,0|2,0,0]=4 2413 B11R1.29 CCCNC(=O)C1CCCC1 11a_100020643023_100000210718 [0,2,0,0,0,0|1,0,1]=4 2414 B11R1.29 CCCNC(=O)C1CCCC1 1626a_100020643023_100000210718 [0,2,0,0,0,0|1,0,1]=4 2415 B11R1.29 CCCNC(=O)C1CCCC1 240690a_100020643023_100000210718 [0,2,0,0,0,0|1,0,1]=4 2416 B11R1.29 CCCNC(=O)C1CCCC1 527a_100020643023_100000210718 [0,2,0,0,0,0|1,0,1]=4 2417 B11R1.29 CCCNC(=O)C1CCCS1 11a_100020643023_100012002731 [0,2,0,0,0,0|1,0,1]=4 2418 B11R1.29 CCCNC(=O)C1CCCS1 1626a_100020643023_100012002731 [0,2,0,0,0,0|1,0,1]=4 2419 B11R1.29 CCCNC(=O)C1CCCS1 240690a_100020643023_100012002731 [0,2,0,0,0,0|1,0,1]=4 2420 B11R1.29 CCCNC(=O)C1CCCS1 527a_100020643023_100012002731 [0,2,0,0,0,0|1,0,1]=4 2421 B11R1.29 CCCNC(=O)N1CCCC1 2708a_100020643023_100000188435 [0,2,0,0,0,0|2,0,0]=4 2422 B11R1.29 CCCNC(=O)N1CCCC1 273464a_100020643023_100000188435 [0,2,0,0,0,0|2,0,0]=4 2423 B11R1.29 CCCNC(=O)[C@@H]1CCCO1 11a_100020643023_100000686382 [0,2,0,0,0,0|1,0,1]=4 2424 B11R1.29 CCCNC(=O)[C@@H]1CCCO1 1626a_100020643023_100000686382 [0,2,0,0,0,0|1,0,1]=4 2425 B11R1.29 CCCNC(=O)[C@@H]1CCCO1 240690a_100020643023_100000686382 [0,2,0,0,0,0|1,0,1]=4 2426 B11R1.29 CCCNC(=O)[C@@H]1CCCO1 527a_100020643023_100000686382 [0,2,0,0,0,0|1,0,1]=4 2427 B11R1.29 CCNCC(=O)N1CCCC1 2230a_100000751844_100000210202 [0,2,0,0,0,0|2,0,0]=4 2428 B11R1.29 CCNCC(=O)N1CCCC1 2230a_100015525214_100000183516 [0,2,0,0,0,0|2,0,0]=4 2429 B11R1.29 CCNN=C(C)C1=CCCC1 4a_100000756455_100000732673 [0,2,0,0,0,0|2,0,0]=4 2430 B11R1.29 CCNN=C(C)C1=NCCS1 4a_100000756455_100000065990 [0,2,0,0,0,0|2,0,0]=4 2431 B11R1.29 CCNNC(=O)C1=CCCC1 22a_100000756455_100000038896 [0,2,0,0,0,0|1,0,0]=3 2432 B11R1.29 CCNNC(=O)C1=CCOC1 22a_100000756455_100000139269 [0,2,0,0,0,0|2,0,0]=4 2433 B11R1.29 CCNNC(=O)C1=COCC1 22a_100000756455_100000750620 [0,2,0,0,0,0|2,0,0]=4 2434 B11R1.29 CCNNC(=O)C1CCCC1 22a_100000756455_100000210718 [0,2,0,0,0,0|1,0,1]=4 2435 B11R1.29 CCNNC(=O)C1CCCS1 22a_100000756455_100012002731 [0,2,0,0,0,0|1,0,1]=4 2436 B11R1.29 CCNNC(=O)[C@@H]1CCCO1 22a_100000756455_100000686382 [0,2,0,0,0,0|1,0,1]=4 2437 B11R1.29 CCOCC(=O)C1CCCC1 1458a_100000211967_100000179811 [0,2,0,0,0,0|1,0,1]=4 2438 B11R1.29 CCOCC(=O)N1CCCC1 240690a_100000188435_100000211967 [0,2,0,0,0,0|2,0,0]=4 2439 B11R1.29 CCOCC(=O)N1CCCC1 34a_100121572206_100000183516 [0,2,0,0,0,0|2,0,0]=4 2440 B11R1.29 CCOCC(=O)N1CCCC1 527a_100000188435_100000211967 [0,2,0,0,0,0|2,0,0]=4 2441 B11R1.29 CCOCC(=O)N1CCCC1 7a_200000752455_100000210202 [0,2,0,0,0,0|2,0,0]=4 2442 B11R1.29 CCSCC(=O)C1CCCC1 1458a_100000230394_100000179811 [0,2,0,0,0,0|1,0,1]=4 2443 B11R1.29 CCSCC(=O)N1CCCC1 240690a_100000188435_100000230394 [0,2,0,0,0,0|2,0,0]=4 2444 B11R1.29 CCSCC(=O)N1CCCC1 527a_100000188435_100000230394 [0,2,0,0,0,0|2,0,0]=4 2445 B11R1.29 CCSCC(=O)N1CCCC1 62a_100000183516_100000210202 [0,2,0,0,0,0|2,0,0]=4 2446 B11R1.29 CCSCC(=O)N1CCCC1 62a_100000210202_100000183516 [0,2,0,0,0,0|2,0,0]=4 2447 B11R1.29 CNCCC(=O)N1CCCC1 2230a_106832991635_100011194422 [0,2,0,0,0,0|2,0,0]=4 2448 B11R1.29 CNCCC(=O)N1CCCC1 34a_100102657272_100011194422 [0,2,0,0,0,0|2,0,0]=4 2449 B11R1.29 CNCCC(=O)N1CCCC1 7a_106832991635_100011194422 [0,2,0,0,0,0|2,0,0]=4 2450 B11R1.29 COCCC(=O)C1=CCCC1 1458a_100000038896_100000233755 [0,2,0,0,0,0|1,0,0]=3 2451 B11R1.29 COCCC(=O)C1=CCOC1 1458a_100000139269_100000233755 [0,2,0,0,0,0|2,0,0]=4 2452 B11R1.29 COCCC(=O)C1=COCC1 1458a_100000750620_100000233755 [0,2,0,0,0,0|2,0,0]=4 2453 B11R1.29 COCCC(=O)C1CCCC1 1458a_100000210718_100000233755 [0,2,0,0,0,0|1,0,1]=4 2454 B11R1.29 COCCC(=O)C1CCCC1 1458a_100000749529_100000179811 [0,2,0,0,0,0|1,0,1]=4 2455 B11R1.29 COCCC(=O)C1CCCS1 1458a_100012002731_100000233755 [0,2,0,0,0,0|1,0,1]=4 2456 B11R1.29 COCCC(=O)N1CCCC1 240690a_100000188435_100000749529 [0,2,0,0,0,0|2,0,0]=4 2457 B11R1.29 COCCC(=O)N1CCCC1 34a_100138415774_100011194422 [0,2,0,0,0,0|2,0,0]=4 2458 B11R1.29 COCCC(=O)N1CCCC1 527a_100000188435_100000749529 [0,2,0,0,0,0|2,0,0]=4 2459 B11R1.29 COCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000233755 [0,2,0,0,0,0|1,0,1]=4 2460 B11R1.29 CSCCC(=O)C1=CCCC1 1458a_100000038896_100000751147 [0,2,0,0,0,0|1,0,0]=3 2461 B11R1.29 CSCCC(=O)C1=CCOC1 1458a_100000139269_100000751147 [0,2,0,0,0,0|2,0,0]=4 2462 B11R1.29 CSCCC(=O)C1=COCC1 1458a_100000750620_100000751147 [0,2,0,0,0,0|2,0,0]=4 2463 B11R1.29 CSCCC(=O)C1CCCC1 1458a_100000174002_100000179811 [0,2,0,0,0,0|1,0,1]=4 2464 B11R1.29 CSCCC(=O)C1CCCC1 1458a_100000210718_100000751147 [0,2,0,0,0,0|1,0,1]=4 2465 B11R1.29 CSCCC(=O)C1CCCS1 1458a_100012002731_100000751147 [0,2,0,0,0,0|1,0,1]=4 2466 B11R1.29 CSCCC(=O)N1CCCC1 240690a_100000188435_100000174002 [0,2,0,0,0,0|2,0,0]=4 2467 B11R1.29 CSCCC(=O)N1CCCC1 527a_100000188435_100000174002 [0,2,0,0,0,0|2,0,0]=4 2468 B11R1.29 CSCCC(=O)N1CCCC1 62a_100011194422_200000210301 [0,2,0,0,0,0|2,0,0]=4 2469 B11R1.29 CSCCC(=O)N1CCCC1 62a_200000210301_100011194422 [0,2,0,0,0,0|2,0,0]=4 2470 B11R1.29 CSCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000751147 [0,2,0,0,0,0|1,0,1]=4 2471 B11R1.29 N#CCCC(=O)C1=CCCC1 1458a_100000038896_100011215226 [0,2,0,0,0,0|1,0,0]=3 2472 B11R1.29 N#CCCC(=O)C1=CCOC1 1458a_100000139269_100011215226 [0,2,0,0,0,0|2,0,0]=4 2473 B11R1.29 N#CCCC(=O)C1=COCC1 1458a_100000750620_100011215226 [0,2,0,0,0,0|2,0,0]=4 2474 B11R1.29 N#CCCC(=O)C1CCCC1 1458a_100000210718_100011215226 [0,2,0,0,0,0|1,0,1]=4 2475 B11R1.29 N#CCCC(=O)C1CCCC1 1458a_100011934036_100000179811 [0,2,0,0,0,0|1,0,1]=4 2476 B11R1.29 N#CCCC(=O)C1CCCS1 1458a_100012002731_100011215226 [0,2,0,0,0,0|1,0,1]=4 2477 B11R1.29 N#CCCC(=O)N1CCCC1 240690a_100000188435_100011934036 [0,2,0,0,0,0|2,0,0]=4 2478 B11R1.29 N#CCCC(=O)N1CCCC1 527a_100000188435_100011934036 [0,2,0,0,0,0|2,0,0]=4 2479 B11R1.29 N#CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100011215226 [0,2,0,0,0,0|1,0,1]=4 2480 B11R1.29 N#CCNC(=O)C1=CCCC1 1626a_100000734998_100000038896 [0,2,0,0,0,0|1,0,1]=4 2481 B11R1.29 O=C(CCCF)C1=CCCC1 1458a_100000038896_100011934791 [0,2,0,0,0,0|1,0,0]=3 2482 B11R1.29 O=C(CCCF)C1=CCOC1 1458a_100000139269_100011934791 [0,2,0,0,0,0|2,0,0]=4 2483 B11R1.29 O=C(CCCF)C1=COCC1 1458a_100000750620_100011934791 [0,2,0,0,0,0|2,0,0]=4 2484 B11R1.29 O=C(CCCF)C1CCCC1 1458a_100000210718_100011934791 [0,2,0,0,0,0|1,0,1]=4 2485 B11R1.29 O=C(CCCF)C1CCCS1 1458a_100012002731_100011934791 [0,2,0,0,0,0|1,0,1]=4 2486 B11R1.29 O=C(CCCF)[C@@H]1CCCO1 1458a_100000686382_100011934791 [0,2,0,0,0,0|1,0,1]=4 2487 B11R1.29 O=C(CCCO)C1=CCCC1 1458a_100000038896_100011215043 [0,2,0,0,0,0|1,0,0]=3 2488 B11R1.29 O=C(CCCO)C1=CCOC1 1458a_100000139269_100011215043 [0,2,0,0,0,0|2,0,0]=4 2489 B11R1.29 O=C(CCCO)C1=COCC1 1458a_100000750620_100011215043 [0,2,0,0,0,0|2,0,0]=4 2490 B11R1.29 O=C(CCCO)C1CCCC1 1458a_100000210718_100011215043 [0,2,0,0,0,0|1,0,1]=4 2491 B11R1.29 O=C(CCCO)C1CCCS1 1458a_100012002731_100011215043 [0,2,0,0,0,0|1,0,1]=4 2492 B11R1.29 O=C(CCCO)[C@@H]1CCCO1 1458a_100000686382_100011215043 [0,2,0,0,0,0|1,0,1]=4 2493 B11R1.29 O=C(COCF)N1CCCC1 7a_200000752455_100015361967 [0,2,0,0,0,0|2,0,0]=4 2494 B11R1.29 O=C(CSCF)N1CCCC1 62a_100000183516_100015361967 [0,2,0,0,0,0|2,0,0]=4 2495 B11R1.29 O=C(CSCF)N1CCCC1 62a_100015361967_100000183516 [0,2,0,0,0,0|2,0,0]=4 2496 B11R1.29 O=C(NCCF)C1=CCCC1 11a_100000724931_100000038896 [0,2,0,0,0,0|1,0,0]=3 2497 B11R1.29 O=C(NCCF)C1=CCCC1 1626a_100000724931_100000038896 [0,2,0,0,0,0|1,0,0]=3 2498 B11R1.29 O=C(NCCF)C1=CCCC1 240690a_100000724931_100000038896 [0,2,0,0,0,0|1,0,0]=3 2499 B11R1.29 O=C(NCCF)C1=CCOC1 11a_100000724931_100000139269 [0,2,0,0,0,0|2,0,0]=4 2500 B11R1.29 O=C(NCCF)C1=CCOC1 1626a_100000724931_100000139269 [0,2,0,0,0,0|2,0,0]=4 2501 B11R1.29 O=C(NCCF)C1=CCOC1 240690a_100000724931_100000139269 [0,2,0,0,0,0|2,0,0]=4 2502 B11R1.29 O=C(NCCF)C1=COCC1 1626a_100000724931_100000750620 [0,2,0,0,0,0|2,0,0]=4 2503 B11R1.29 O=C(NCCF)C1=COCC1 240690a_100000724931_100000750620 [0,2,0,0,0,0|2,0,0]=4 2504 B11R1.29 O=C(NCCF)C1CCCC1 11a_100000724931_100000210718 [0,2,0,0,0,0|1,0,1]=4 2505 B11R1.29 O=C(NCCF)C1CCCC1 1626a_100000724931_100000210718 [0,2,0,0,0,0|1,0,1]=4 2506 B11R1.29 O=C(NCCF)C1CCCC1 240690a_100000724931_100000210718 [0,2,0,0,0,0|1,0,1]=4 2507 B11R1.29 O=C(NCCF)C1CCCC1 527a_100000724931_100000210718 [0,2,0,0,0,0|1,0,1]=4 2508 B11R1.29 O=C(NCCF)C1CCCS1 11a_100000724931_100012002731 [0,2,0,0,0,0|1,0,1]=4 2509 B11R1.29 O=C(NCCF)C1CCCS1 1626a_100000724931_100012002731 [0,2,0,0,0,0|1,0,1]=4 2510 B11R1.29 O=C(NCCF)C1CCCS1 240690a_100000724931_100012002731 [0,2,0,0,0,0|1,0,1]=4 2511 B11R1.29 O=C(NCCF)C1CCCS1 527a_100000724931_100012002731 [0,2,0,0,0,0|1,0,1]=4 2512 B11R1.29 O=C(NCCF)N1CCCC1 273464a_100000724931_100000188435 [0,2,0,0,0,0|2,0,0]=4 2513 B11R1.29 O=C(NCCF)[C@@H]1CCCO1 11a_100000724931_100000686382 [0,2,0,0,0,0|1,0,1]=4 2514 B11R1.29 O=C(NCCF)[C@@H]1CCCO1 1626a_100000724931_100000686382 [0,2,0,0,0,0|1,0,1]=4 2515 B11R1.29 O=C(NCCF)[C@@H]1CCCO1 240690a_100000724931_100000686382 [0,2,0,0,0,0|1,0,1]=4 2516 B11R1.29 O=C(NCCF)[C@@H]1CCCO1 527a_100000724931_100000686382 [0,2,0,0,0,0|1,0,1]=4 2517 B11R1.29 O=C(NCCO)C1=CCCC1 240690a_100000210304_100000038896 [0,2,0,0,0,0|1,0,0]=3 2518 B11R1.29 O=C(NCCO)C1=CCOC1 240690a_100000210304_100000139269 [0,2,0,0,0,0|2,0,0]=4 2519 B11R1.29 O=C(NCCO)C1=COCC1 240690a_100000210304_100000750620 [0,2,0,0,0,0|2,0,0]=4 2520 B11R1.29 O=C(NCCO)C1CCCC1 240690a_100000210304_100000210718 [0,2,0,0,0,0|1,0,1]=4 2521 B11R1.29 O=C(NCCO)C1CCCC1 527a_100000210304_100000210718 [0,2,0,0,0,0|1,0,1]=4 2522 B11R1.29 O=C(NCCO)C1CCCS1 240690a_100000210304_100012002731 [0,2,0,0,0,0|1,0,1]=4 2523 B11R1.29 O=C(NCCO)C1CCCS1 527a_100000210304_100012002731 [0,2,0,0,0,0|1,0,1]=4 2524 B11R1.29 O=C(NCCO)N1CCCC1 273464a_100000210304_100000188435 [0,2,0,0,0,0|2,0,0]=4 2525 B11R1.29 O=C(NCCO)[C@@H]1CCCO1 240690a_100000210304_100000686382 [0,2,0,0,0,0|1,0,1]=4 2526 B11R1.29 O=C(NCCO)[C@@H]1CCCO1 527a_100000210304_100000686382 [0,2,0,0,0,0|1,0,1]=4 2527 B11R1.29 [13CH3]SCCC(=O)N1CCCC1 62a_100011194422_200025704644 [0,2,0,0,0,0|2,0,0]=4 2528 B11R1.29 [13CH3]SCCC(=O)N1CCCC1 62a_200025704644_100011194422 [0,2,0,0,0,0|2,0,0]=4 2529 B11R1.77 C=C(C)CC(=O)C1=CCCC1 1458a_100000038896_100000748629 [0,2,0,0,0,0|1,0,0]=3 2530 B11R1.77 C=C(C)CC(=O)C1=CCOC1 1458a_100000139269_100000748629 [0,2,0,0,0,0|2,0,0]=4 2531 B11R1.77 C=C(C)CC(=O)C1=COCC1 1458a_100000750620_100000748629 [0,2,0,0,0,0|2,0,0]=4 2532 B11R1.77 C=C(C)CC(=O)C1CCCC1 1458a_100000210718_100000748629 [0,2,0,0,0,0|1,0,1]=4 2533 B11R1.77 C=C(C)CC(=O)C1CCCS1 1458a_100012002731_100000748629 [0,2,0,0,0,0|1,0,1]=4 2534 B11R1.77 C=C(C)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000748629 [0,2,0,0,0,0|1,0,1]=4 2535 B11R1.77 C=C(F)CC(=O)C1=CCCC1 1458a_100000038896_100009893438 [0,2,0,0,0,0|1,0,1]=4 2536 B11R1.77 CC(=O)CC(=O)N1CCCC1 1458a_100000070787_100000183516 [0,2,0,0,0,0|2,0,0]=4 2537 B11R1.77 CC(C)CC(=O)C1=CCCC1 1458a_100000038896_100000210624 [0,2,0,0,0,0|1,0,0]=3 2538 B11R1.77 CC(C)CC(=O)C1=CCOC1 1458a_100000139269_100000210624 [0,2,0,0,0,0|2,0,0]=4 2539 B11R1.77 CC(C)CC(=O)C1=COCC1 1458a_100000750620_100000210624 [0,2,0,0,0,0|2,0,0]=4 2540 B11R1.77 CC(C)CC(=O)C1CCCC1 1458a_100000210554_100000179811 [0,2,0,0,0,0|1,0,1]=4 2541 B11R1.77 CC(C)CC(=O)C1CCCC1 1458a_100000210718_100000210624 [0,2,0,0,0,0|1,0,1]=4 2542 B11R1.77 CC(C)CC(=O)C1CCCS1 1458a_100012002731_100000210624 [0,2,0,0,0,0|1,0,1]=4 2543 B11R1.77 CC(C)CC(=O)N1CCCC1 240690a_100000188435_100000210554 [0,2,0,0,0,0|2,0,0]=4 2544 B11R1.77 CC(C)CC(=O)N1CCCC1 527a_100000188435_100000210554 [0,2,0,0,0,0|2,0,0]=4 2545 B11R1.77 CC(C)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210624 [0,2,0,0,0,0|1,0,1]=4 2546 B11R1.77 CC(C)NC(=O)C1=CCCC1 11a_100138425928_100000038896 [0,2,0,0,0,0|1,0,0]=3 2547 B11R1.77 CC(C)NC(=O)C1=CCCC1 1626a_100138425928_100000038896 [0,2,0,0,0,0|1,0,0]=3 2548 B11R1.77 CC(C)NC(=O)C1=CCCC1 240690a_100138425928_100000038896 [0,2,0,0,0,0|1,0,0]=3 2549 B11R1.77 CC(C)NC(=O)C1=CCOC1 11a_100138425928_100000139269 [0,2,0,0,0,0|2,0,0]=4 2550 B11R1.77 CC(C)NC(=O)C1=CCOC1 1626a_100138425928_100000139269 [0,2,0,0,0,0|2,0,0]=4 2551 B11R1.77 CC(C)NC(=O)C1=CCOC1 240690a_100138425928_100000139269 [0,2,0,0,0,0|2,0,0]=4 2552 B11R1.77 CC(C)NC(=O)C1=COCC1 1626a_100138425928_100000750620 [0,2,0,0,0,0|2,0,0]=4 2553 B11R1.77 CC(C)NC(=O)C1=COCC1 240690a_100138425928_100000750620 [0,2,0,0,0,0|2,0,0]=4 2554 B11R1.77 CC(C)NC(=O)C1CCCC1 11a_100138425928_100000210718 [0,2,0,0,0,0|1,0,1]=4 2555 B11R1.77 CC(C)NC(=O)C1CCCC1 1626a_100138425928_100000210718 [0,2,0,0,0,0|1,0,1]=4 2556 B11R1.77 CC(C)NC(=O)C1CCCC1 240690a_100138425928_100000210718 [0,2,0,0,0,0|1,0,1]=4 2557 B11R1.77 CC(C)NC(=O)C1CCCC1 527a_100138425928_100000210718 [0,2,0,0,0,0|1,0,1]=4 2558 B11R1.77 CC(C)NC(=O)C1CCCS1 11a_100138425928_100012002731 [0,2,0,0,0,0|1,0,1]=4 2559 B11R1.77 CC(C)NC(=O)C1CCCS1 1626a_100138425928_100012002731 [0,2,0,0,0,0|1,0,1]=4 2560 B11R1.77 CC(C)NC(=O)C1CCCS1 240690a_100138425928_100012002731 [0,2,0,0,0,0|1,0,1]=4 2561 B11R1.77 CC(C)NC(=O)C1CCCS1 527a_100138425928_100012002731 [0,2,0,0,0,0|1,0,1]=4 2562 B11R1.77 CC(C)NC(=O)N1CCCC1 2708a_100138425928_100000188435 [0,2,0,0,0,0|2,0,0]=4 2563 B11R1.77 CC(C)NC(=O)N1CCCC1 273464a_100138425928_100000188435 [0,2,0,0,0,0|2,0,0]=4 2564 B11R1.77 CC(C)NC(=O)[C@@H]1CCCO1 11a_100138425928_100000686382 [0,2,0,0,0,0|1,0,1]=4 2565 B11R1.77 CC(C)NC(=O)[C@@H]1CCCO1 1626a_100138425928_100000686382 [0,2,0,0,0,0|1,0,1]=4 2566 B11R1.77 CC(C)NC(=O)[C@@H]1CCCO1 240690a_100138425928_100000686382 [0,2,0,0,0,0|1,0,1]=4 2567 B11R1.77 CC(C)NC(=O)[C@@H]1CCCO1 527a_100138425928_100000686382 [0,2,0,0,0,0|1,0,1]=4 2568 B11R1.77 CC(O)CC(=O)C1=CCCC1 1458a_100000038896_100011218427 [0,2,0,0,0,0|1,0,0]=3 2569 B11R1.77 CC(O)CC(=O)C1=CCOC1 1458a_100000139269_100011218427 [0,2,0,0,0,0|2,0,0]=4 2570 B11R1.77 CC(O)CC(=O)C1=COCC1 1458a_100000750620_100011218427 [0,2,0,0,0,0|2,0,0]=4 2571 B11R1.77 CC(O)CC(=O)C1CCCC1 1458a_100000210718_100011218427 [0,2,0,0,0,0|1,0,1]=4 2572 B11R1.77 CC(O)CC(=O)C1CCCS1 1458a_100012002731_100011218427 [0,2,0,0,0,0|1,0,1]=4 2573 B11R1.77 CC(O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100011218427 [0,2,0,0,0,0|1,0,1]=4 2574 B11R1.77 CN(C)CC(=O)C1CCCC1 1458a_100000750896_100000179811 [0,2,0,0,0,0|1,0,1]=4 2575 B11R1.77 CN(C)CC(=O)N1CCCC1 2230a_100025772637_200000210301 [0,2,0,0,0,0|2,0,0]=4 2576 B11R1.77 CN(C)CC(=O)N1CCCC1 2230a_100102631434_100000183516 [0,2,0,0,0,0|2,0,0]=4 2577 B11R1.77 CN(C)CC(=O)N1CCCC1 240690a_100000188435_100000750896 [0,2,0,0,0,0|2,0,0]=4 2578 B11R1.77 CN(C)CC(=O)N1CCCC1 269982a_100025772637_200000210301 [0,2,0,0,0,0|2,0,0]=4 2579 B11R1.77 CN(C)CC(=O)N1CCCC1 269982a_100102631434_100000183516 [0,2,0,0,0,0|2,0,0]=4 2580 B11R1.77 CN(C)CC(=O)N1CCCC1 527a_100000188435_100000750896 [0,2,0,0,0,0|2,0,0]=4 2581 B11R1.77 CN([13CH3])CC(=O)N1CCCC1 2230a_100025772637_200025704644 [0,2,0,0,0,0|2,0,0]=4 2582 B11R1.77 CN([13CH3])CC(=O)N1CCCC1 269982a_100025772637_200025704644 [0,2,0,0,0,0|2,0,0]=4 2583 B11R1.77 C[C@@H](O)CC(=O)C1CCCC1 1458a_100011933948_100000179811 [0,2,0,0,0,0|1,0,1]=4 2584 B11R1.77 C[C@@H](O)CC(=O)N1CCCC1 240690a_100000188435_100011933948 [0,2,0,0,0,0|2,0,0]=4 2585 B11R1.77 C[S+](C)CC(=O)C1CCCC1 1458a_200159257847_100000179811 [0,2,0,0,0,0|1,0,1]=4 2586 B11R1.77 C[S+](C)CC(=O)N1CCCC1 240690a_100000188435_200159257847 [0,2,0,0,0,0|2,0,0]=4 2587 B11R1.77 C[S+](C)CC(=O)N1CCCC1 527a_100000188435_200159257847 [0,2,0,0,0,0|2,0,0]=4 2588 B11R1.77 NC(=O)CC(=O)C1=CCCC1 1458a_100000038896_100000187820 [0,2,0,0,0,0|1,0,1]=4 2589 B11R1.77 O=C(CC(F)F)C1=CCCC1 1458a_100000038896_100011934356 [0,2,0,0,0,0|1,0,0]=3 2590 B11R1.77 O=C(CC(F)F)C1=CCOC1 1458a_100000139269_100011934356 [0,2,0,0,0,0|2,0,0]=4 2591 B11R1.77 O=C(CC(F)F)C1=COCC1 1458a_100000750620_100011934356 [0,2,0,0,0,0|2,0,0]=4 2592 B11R1.77 O=C(CC(F)F)C1CCCC1 1458a_100000210718_100011934356 [0,2,0,0,0,0|1,0,1]=4 2593 B11R1.77 O=C(CC(F)F)C1CCCS1 1458a_100012002731_100011934356 [0,2,0,0,0,0|1,0,1]=4 2594 B11R1.77 O=C(CC(F)F)[C@@H]1CCCO1 1458a_100000686382_100011934356 [0,2,0,0,0,0|1,0,1]=4 2595 B11R1.77 O=C(C[N+](=O)[O-])C1=CCCC1 1458a_100000038896_100000761209 [0,2,0,0,0,0|2,0,0]=4 2596 B11R1.77 O=C([O-])CC(=O)C1=CCCC1 1458a_100000038896_100020667443 [0,2,0,0,0,0|1,0,1]=4 2597 B11R1.199 CC1CCCC1C(=O)CCF 1458a_100000690547_100011217306 [0,2,0,0,0,0|1,0,1]=4 2598 B11R1.199 CC1CCCC1C(=O)CCO 1458a_100000690547_100000211926 [0,2,0,0,0,0|1,0,1]=4 2599 B11R1.199 CCCC(=O)C1CCCC1=O 1458a_100000211992_100000211823 [0,2,0,0,0,0|1,0,1]=4 2600 B11R1.199 CCCC(=O)C1CCCC1C 1458a_100000690547_100000210303 [0,2,0,0,0,0|1,0,1]=4 2601 B11R1.199 CCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000211992 [0,2,0,0,0,0|2,0,0]=4 2602 B11R1.199 CCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000211992 [0,2,0,0,0,0|2,0,0]=4 2603 B11R1.199 CCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000211992 [0,2,0,0,0,0|2,0,0]=4 2604 B11R1.199 CCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000211992 [0,2,0,0,0,0|2,0,0]=4 2605 B11R1.199 CCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000211992 [0,2,0,0,0,0|2,0,0]=4 2606 B11R1.199 CCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210303 [0,2,0,0,0,0|0,0,2]=4 2607 B11R1.199 CCNC(=O)C1CCCC1C 11a_100015525214_100000690547 [0,2,0,0,0,0|1,0,1]=4 2608 B11R1.199 CCNC(=O)C1CCCC1C 240690a_100015525214_100000690547 [0,2,0,0,0,0|1,0,1]=4 2609 B11R1.199 CCNC(=O)C1CCCC1C 527a_100015525214_100000690547 [0,2,0,0,0,0|1,0,1]=4 2610 B11R1.199 CCNC(=O)N1CCC[C@@H]1C 2708a_100015525214_100020605311 [0,2,0,0,0,0|2,0,0]=4 2611 B11R1.199 CCNC(=O)N1CCC[C@@H]1C 273464a_100015525214_100020605311 [0,2,0,0,0,0|2,0,0]=4 2612 B11R1.199 CCNC(=O)N1CCC[C@H]1C 2708a_100015525214_100015189458 [0,2,0,0,0,0|2,0,0]=4 2613 B11R1.199 CCNC(=O)N1CCC[C@H]1C 273464a_100015525214_100015189458 [0,2,0,0,0,0|2,0,0]=4 2614 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 11a_100015525214_100009816429 [0,2,0,0,0,0|0,0,2]=4 2615 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 2230a_100020641767_200000210301 [0,2,0,0,0,0|0,0,2]=4 2616 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 240690a_100015525214_100009816429 [0,2,0,0,0,0|0,0,2]=4 2617 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 269982a_100020641767_200000210301 [0,2,0,0,0,0|0,0,2]=4 2618 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 34a_100020641767_200000210301 [0,2,0,0,0,0|0,0,2]=4 2619 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 527a_100015525214_100009816429 [0,2,0,0,0,0|0,0,2]=4 2620 B11R1.199 CCNC(=O)[C@@H]1CCCN1[13CH3] 2230a_100020641767_200025704644 [0,2,0,0,0,0|0,0,2]=4 2621 B11R1.199 CCNC(=O)[C@@H]1CCCN1[13CH3] 269982a_100020641767_200025704644 [0,2,0,0,0,0|0,0,2]=4 2622 B11R1.199 CCNC(=O)[C@@H]1CCCN1[13CH3] 34a_100020641767_200025704644 [0,2,0,0,0,0|0,0,2]=4 2623 B11R1.199 CCOC(=O)[C@@H]1CCCN1C 2230a_100000703725_200000210301 [0,2,0,0,0,0|0,0,2]=4 2624 B11R1.199 CCOC(=O)[C@@H]1CCCN1C 269982a_100000703725_200000210301 [0,2,0,0,0,0|0,0,2]=4 2625 B11R1.199 CCOC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000703725_200025704644 [0,2,0,0,0,0|0,0,2]=4 2626 B11R1.199 CCOC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000703725_200025704644 [0,2,0,0,0,0|0,0,2]=4 2627 B11R1.199 CN1CCC[C@H]1C(=O)CCF 1458a_100009816429_100011217306 [0,2,0,0,0,0|0,0,2]=4 2628 B11R1.199 CN1CCC[C@H]1C(=O)CCO 1458a_100009816429_100000211926 [0,2,0,0,0,0|0,0,2]=4 2629 B11R1.199 COCC(=O)C1CCCC1=O 1458a_100000210968_100000211823 [0,2,0,0,0,0|1,0,1]=4 2630 B11R1.199 COCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210968 [0,2,0,0,0,0|2,0,0]=4 2631 B11R1.199 COCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210968 [0,2,0,0,0,0|2,0,0]=4 2632 B11R1.199 COCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210968 [0,2,0,0,0,0|2,0,0]=4 2633 B11R1.199 COCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210968 [0,2,0,0,0,0|2,0,0]=4 2634 B11R1.199 COCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210968 [0,2,0,0,0,0|2,0,0]=4 2635 B11R1.199 CSCC(=O)C1CCCC1=O 1458a_100000184570_100000211823 [0,2,0,0,0,0|1,0,1]=4 2636 B11R1.199 CSCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000184570 [0,2,0,0,0,0|2,0,0]=4 2637 B11R1.199 CSCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000184570 [0,2,0,0,0,0|2,0,0]=4 2638 B11R1.199 CSCC(=O)N1CCC[C@H]1C 11a_100015189458_100000184570 [0,2,0,0,0,0|2,0,0]=4 2639 B11R1.199 CSCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000184570 [0,2,0,0,0,0|2,0,0]=4 2640 B11R1.199 CSCC(=O)N1CCC[C@H]1C 527a_100015189458_100000184570 [0,2,0,0,0,0|2,0,0]=4 2641 B11R1.199 C[C@@H]1CCCN1C(=O)CCO 240690a_100015189458_100011216618 [0,2,0,0,0,0|2,0,0]=4 2642 B11R1.199 C[C@H]1CCCN1C(=O)CCO 240690a_100020605311_100011216618 [0,2,0,0,0,0|2,0,0]=4 2643 B11R1.199 O=C(CCO)C1CCCC1=O 1458a_100011216618_100000211823 [0,2,0,0,0,0|1,0,1]=4 2644 B11R1.819 CC1(CCCC1)C(=O)CCF 1458a_100000239728_100011217306 [0,2,0,0,0,0|1,0,1]=4 2645 B11R1.819 CC1(CCCC1)C(=O)CCO 1458a_100000239728_100000211926 [0,2,0,0,0,0|1,0,1]=4 2646 B11R1.819 CC1(CCCO1)C(=O)CCF 1458a_100000684770_100011217306 [0,2,0,0,0,0|1,0,1]=4 2647 B11R1.819 CC1(CCCO1)C(=O)CCO 1458a_100000684770_100000211926 [0,2,0,0,0,0|1,0,1]=4 2648 B11R1.819 CCCC(=O)C1(CCCC1)C 1458a_100000239728_100000210303 [0,2,0,0,0,0|1,0,1]=4 2649 B11R1.819 CCCC(=O)C1(CCCC1)O 1458a_100000242637_100000210303 [0,2,0,0,0,0|1,0,1]=4 2650 B11R1.819 CCCC(=O)C1(CCCO1)C 1458a_100000684770_100000210303 [0,2,0,0,0,0|1,0,1]=4 2651 B11R1.819 CCNC(=O)C1(CCCC1)C 11a_100015525214_100000239728 [0,2,0,0,0,0|1,0,1]=4 2652 B11R1.819 CCNC(=O)C1(CCCC1)C 240690a_100015525214_100000239728 [0,2,0,0,0,0|1,0,1]=4 2653 B11R1.819 CCNC(=O)C1(CCCC1)C 527a_100015525214_100000239728 [0,2,0,0,0,0|1,0,1]=4 2654 B11R1.819 CCNC(=O)C1(CCCC1)O 240690a_100015525214_100000242637 [0,2,0,0,0,0|1,0,1]=4 2655 B11R1.819 CCNC(=O)C1(CCCC1)O 527a_100015525214_100000242637 [0,2,0,0,0,0|1,0,1]=4 2656 B11R1.819 CCNC(=O)C1(CCCO1)C 11a_100015525214_100000684770 [0,2,0,0,0,0|1,0,1]=4 2657 B11R1.819 CCNC(=O)C1(CCCO1)C 240690a_100015525214_100000684770 [0,2,0,0,0,0|1,0,1]=4 2658 B11R1.819 CCNC(=O)C1(CCCO1)C 527a_100015525214_100000684770 [0,2,0,0,0,0|1,0,1]=4 2659 B11R1.819 O=C(CCF)C1(CCCC1)O 1458a_100000242637_100011217306 [0,2,0,0,0,0|1,0,1]=4 2660 B11R1.819 O=C(CCO)C1(CCCC1)O 1458a_100000242637_100000211926 [0,2,0,0,0,0|1,0,1]=4 2661 B11R1.44 CCC(=O)N1CCC(C1)C#N 11a_100016989334_100000210414 [0,2,0,0,0,0|2,0,0]=4 2662 B11R1.44 CCC(=O)N1CCC(C1)C#N 1626a_100016989334_100000210414 [0,2,0,0,0,0|2,0,0]=4 2663 B11R1.44 CCC(=O)N1CCC(C1)C#N 240690a_100016989334_100000210414 [0,2,0,0,0,0|2,0,0]=4 2664 B11R1.44 CCC(=O)N1CCC(C1)C#N 527a_100016989334_100000210414 [0,2,0,0,0,0|2,0,0]=4 2665 B11R1.44 CCC(=O)N1CCC(C1)CO 240690a_100000748654_100000210414 [0,2,0,0,0,0|2,0,0]=4 2666 B11R1.44 CCC(=O)N1CCC(C1)CO 527a_100000748654_100000210414 [0,2,0,0,0,0|2,0,0]=4 2667 B11R1.44 CCC(=O)N1CC[C@H](C1)OC 11a_100000766984_100000210414 [0,2,0,0,0,0|2,0,0]=4 2668 B11R1.44 CCC(=O)N1CC[C@H](C1)OC 1626a_100000766984_100000210414 [0,2,0,0,0,0|2,0,0]=4 2669 B11R1.44 CCC(=O)N1CC[C@H](C1)OC 240690a_100000766984_100000210414 [0,2,0,0,0,0|2,0,0]=4 2670 B11R1.44 CCC(=O)N1CC[C@H](C1)OC 527a_100000766984_100000210414 [0,2,0,0,0,0|2,0,0]=4 2671 B11R1.225 CCC(=O)[C@@H]1C[C@H](CN1C)O 1458a_100015191551_100000210202 [0,2,0,0,0,0|0,0,2]=4 2672 B11R1.226 CCC(=O)N1C[C@@H]([C@H](C1)F)O 11a_100020590056_100000210414 [0,2,0,0,0,0|2,0,0]=4 2673 B11R1.226 CCC(=O)N1C[C@@H]([C@H](C1)F)O 240690a_100020590056_100000210414 [0,2,0,0,0,0|2,0,0]=4 2674 B11R1.226 CCC(=O)N1C[C@@H]([C@H](C1)F)O 527a_100020590056_100000210414 [0,2,0,0,0,0|2,0,0]=4 2675 B11R1.226 CCC(=O)N1C[C@H]([C@H](C1)F)F 11a_100103146936_100000210414 [0,2,0,0,0,0|2,0,0]=4 2676 B11R1.226 CCC(=O)N1C[C@H]([C@H](C1)F)F 1626a_100103146936_100000210414 [0,2,0,0,0,0|2,0,0]=4 2677 B11R1.226 CCC(=O)N1C[C@H]([C@H](C1)F)F 240690a_100103146936_100000210414 [0,2,0,0,0,0|2,0,0]=4 2678 B11R1.226 CCC(=O)N1C[C@H]([C@H](C1)F)F 527a_100103146936_100000210414 [0,2,0,0,0,0|2,0,0]=4 2679 B11R1.226 CCC(=O)N1C[C@H]([C@H](C1)O)C 11a_200015306588_100000210414 [0,2,0,0,0,0|2,0,0]=4 2680 B11R1.226 CCC(=O)N1C[C@H]([C@H](C1)O)C 240690a_200015306588_100000210414 [0,2,0,0,0,0|2,0,0]=4 2681 B11R1.226 CCC(=O)N1C[C@H]([C@H](C1)O)C 527a_200015306588_100000210414 [0,2,0,0,0,0|2,0,0]=4 2682 B11R1.226 CCC(=O)N1C[C@H]([C@H](C1)O)O 11a_100015207562_100000210414 [0,2,0,0,0,0|2,0,0]=4 2683 B11R1.226 CCC(=O)N1C[C@H]([C@H](C1)O)O 240690a_100015207562_100000210414 [0,2,0,0,0,0|2,0,0]=4 2684 B11R1.226 CCC(=O)N1C[C@H]([C@H](C1)O)O 527a_100015207562_100000210414 [0,2,0,0,0,0|2,0,0]=4 2685 B11R1.314 CC(C)C(=O)C1CCC(C1)O 1458a_100000688591_100000210206 [0,2,0,0,0,0|1,0,1]=4 2686 B11R1.314 CC(C)C(=O)N1CCC(C1)O 240690a_100011215560_100000210198 [0,2,0,0,0,0|2,0,0]=4 2687 B11R1.314 CC(C)C(=O)N1CCC(C1)O 527a_100011215560_100000210198 [0,2,0,0,0,0|2,0,0]=4 2688 B11R1.314 CC(C)C(=O)N1CC[C@@H](C1)F 11a_100015203821_100000210198 [0,2,0,0,0,0|2,0,0]=4 2689 B11R1.314 CC(C)C(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000210198 [0,2,0,0,0,0|2,0,0]=4 2690 B11R1.314 CC(C)C(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000210198 [0,2,0,0,0,0|2,0,0]=4 2691 B11R1.314 CC(C)C(=O)N1CC[C@@H](C1)F 527a_100015203821_100000210198 [0,2,0,0,0,0|2,0,0]=4 2692 B11R1.314 CC(C)C(=O)N1CC[C@H](C1)C 11a_100016987628_100000210198 [0,2,0,0,0,0|2,0,0]=4 2693 B11R1.314 CC(C)C(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210198 [0,2,0,0,0,0|2,0,0]=4 2694 B11R1.314 CC(C)C(=O)N1CC[C@H](C1)C 527a_100016987628_100000210198 [0,2,0,0,0,0|2,0,0]=4 2695 B11R1.314 CC(F)C(=O)N1CCC(C1)O 240690a_100011215560_100000062450 [0,2,0,0,0,0|2,0,0]=4 2696 B11R1.314 CC(F)C(=O)N1CCC(C1)O 527a_100011215560_100000062450 [0,2,0,0,0,0|2,0,0]=4 2697 B11R1.314 CC(F)C(=O)N1CC[C@@H](C1)F 11a_100015203821_100000062450 [0,2,0,0,0,0|2,0,0]=4 2698 B11R1.314 CC(F)C(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000062450 [0,2,0,0,0,0|2,0,0]=4 2699 B11R1.314 CC(F)C(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000062450 [0,2,0,0,0,0|2,0,0]=4 2700 B11R1.314 CC(F)C(=O)N1CC[C@@H](C1)F 527a_100015203821_100000062450 [0,2,0,0,0,0|2,0,0]=4 2701 B11R1.314 CC(F)C(=O)N1CC[C@H](C1)C 11a_100016987628_100000062450 [0,2,0,0,0,0|2,0,0]=4 2702 B11R1.314 CC(F)C(=O)N1CC[C@H](C1)C 240690a_100016987628_100000062450 [0,2,0,0,0,0|2,0,0]=4 2703 B11R1.314 CC(F)C(=O)N1CC[C@H](C1)C 527a_100016987628_100000062450 [0,2,0,0,0,0|2,0,0]=4 2704 B11R1.314 C[C@@H](O)C(=O)N1CCC(C1)O 240690a_100011215560_100000717761 [0,2,0,0,0,0|2,0,0]=4 2705 B11R1.314 C[C@@H](O)C(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000717761 [0,2,0,0,0,0|2,0,0]=4 2706 B11R1.314 C[C@@H]1CCN(C1)C(=O)[C@@H](C)O 240690a_100016987628_100000717761 [0,2,0,0,0,0|2,0,0]=4 2707 B11R1.314 C[C@@H]1CCN(C1)C(=O)[C@H](C)O 240690a_100016987628_217856618621 [0,2,0,0,0,0|2,0,0]=4 2708 B11R1.314 C[C@H](O)C(=O)N1CCC(C1)O 240690a_100011215560_217856618621 [0,2,0,0,0,0|2,0,0]=4 2709 B11R1.314 C[C@H](O)C(=O)N1CC[C@@H](C1)F 1626a_100015203821_217856618621 [0,2,0,0,0,0|2,0,0]=4 2710 B11R1.314 C[C@H](O)C(=O)N1CC[C@@H](C1)F 240690a_100015203821_217856618621 [0,2,0,0,0,0|2,0,0]=4 2711 B11R1.866 CCC(=O)C1CCC(C1)(F)F 1458a_100000696201_100000210202 [0,2,0,0,0,0|1,0,1]=4 2712 B11R1.866 CCC(=O)N1CCC(C1)(C)C 11a_100000764714_100000210414 [0,2,0,0,0,0|2,0,0]=4 2713 B11R1.866 CCC(=O)N1CCC(C1)(C)C 1626a_100000764714_100000210414 [0,2,0,0,0,0|2,0,0]=4 2714 B11R1.866 CCC(=O)N1CCC(C1)(C)C 240690a_100000764714_100000210414 [0,2,0,0,0,0|2,0,0]=4 2715 B11R1.866 CCC(=O)N1CCC(C1)(C)C 527a_100000764714_100000210414 [0,2,0,0,0,0|2,0,0]=4 2716 B11R1.866 CCC(=O)N1CCC(C1)(C)O 11a_100000718628_100000210414 [0,2,0,0,0,0|2,0,0]=4 2717 B11R1.866 CCC(=O)N1CCC(C1)(C)O 240690a_100000718628_100000210414 [0,2,0,0,0,0|2,0,0]=4 2718 B11R1.866 CCC(=O)N1CCC(C1)(C)O 527a_100000718628_100000210414 [0,2,0,0,0,0|2,0,0]=4 2719 B11R1.866 CCC(=O)N1CCC(C1)(F)F 11a_100000697292_100000210414 [0,2,0,0,0,0|2,0,0]=4 2720 B11R1.866 CCC(=O)N1CCC(C1)(F)F 1626a_100000697292_100000210414 [0,2,0,0,0,0|2,0,0]=4 2721 B11R1.866 CCC(=O)N1CCC(C1)(F)F 240690a_100000697292_100000210414 [0,2,0,0,0,0|2,0,0]=4 2722 B11R1.866 CCC(=O)N1CCC(C1)(F)F 527a_100000697292_100000210414 [0,2,0,0,0,0|2,0,0]=4 2723 B11R1.89 CC(C)C(=O)C1CCCC1=O 1458a_100000210198_100000211823 [0,2,0,0,0,0|1,0,1]=4 2724 B11R1.89 CC(C)C(=O)C1CCCC1C 1458a_100000690547_100000210206 [0,2,0,0,0,0|1,0,1]=4 2725 B11R1.89 CC(C)C(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210198 [0,2,0,0,0,0|2,0,0]=4 2726 B11R1.89 CC(C)C(=O)N1CCC[C@@H]1C 527a_100020605311_100000210198 [0,2,0,0,0,0|2,0,0]=4 2727 B11R1.89 CC(C)C(=O)N1CCC[C@H]1C 11a_100015189458_100000210198 [0,2,0,0,0,0|2,0,0]=4 2728 B11R1.89 CC(C)C(=O)N1CCC[C@H]1C 240690a_100015189458_100000210198 [0,2,0,0,0,0|2,0,0]=4 2729 B11R1.89 CC(C)C(=O)N1CCC[C@H]1C 527a_100015189458_100000210198 [0,2,0,0,0,0|2,0,0]=4 2730 B11R1.89 CC(C)C(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210206 [0,2,0,0,0,0|0,0,2]=4 2731 B11R1.89 CC(F)C(=O)C1CCCC1=O 1458a_100000062450_100000211823 [0,2,0,0,0,0|1,0,1]=4 2732 B11R1.89 CC(F)C(=O)N1CCC[C@@H]1C 240690a_100020605311_100000062450 [0,2,0,0,0,0|2,0,0]=4 2733 B11R1.89 CC(F)C(=O)N1CCC[C@@H]1C 527a_100020605311_100000062450 [0,2,0,0,0,0|2,0,0]=4 2734 B11R1.89 CC(F)C(=O)N1CCC[C@H]1C 11a_100015189458_100000062450 [0,2,0,0,0,0|2,0,0]=4 2735 B11R1.89 CC(F)C(=O)N1CCC[C@H]1C 240690a_100015189458_100000062450 [0,2,0,0,0,0|2,0,0]=4 2736 B11R1.89 CC(F)C(=O)N1CCC[C@H]1C 527a_100015189458_100000062450 [0,2,0,0,0,0|2,0,0]=4 2737 B11R1.89 C[C@@H](O)C(=O)C1CCCC1=O 1458a_100000717761_100000211823 [0,2,0,0,0,0|1,0,1]=4 2738 B11R1.89 C[C@@H](O)C(=O)N1CCC[C@@H]1C 240690a_100020605311_100000717761 [0,2,0,0,0,0|2,0,0]=4 2739 B11R1.89 C[C@@H]1CCCN1C(=O)[C@@H](C)O 240690a_100015189458_100000717761 [0,2,0,0,0,0|2,0,0]=4 2740 B11R1.89 C[C@H](O)C(=O)C1CCCC1=O 1458a_217856618621_100000211823 [0,2,0,0,0,0|1,0,1]=4 2741 B11R1.89 C[C@H](O)C(=O)N1CCC[C@@H]1C 240690a_100020605311_217856618621 [0,2,0,0,0,0|2,0,0]=4 2742 B11R1.89 C[C@H](O)C(=O)N1CCC[C@H]1C 240690a_100015189458_217856618621 [0,2,0,0,0,0|2,0,0]=4 2743 B11R1.357 CC(C)(C)C(=O)C1CCCC1 1458a_106744555173_100000179811 [0,2,0,0,0,0|1,0,1]=4 2744 B11R1.357 CC(C)(C)C(=O)N1CCCC1 240690a_100000188435_106744555173 [0,2,0,0,0,0|2,0,0]=4 2745 B11R1.357 CC(C)(C)C(=O)N1CCCC1 527a_100000188435_106744555173 [0,2,0,0,0,0|2,0,0]=4 2746 B11R1.357 CC(C)(F)C(=O)C1CCCC1 1458a_100000765255_100000179811 [0,2,0,0,0,0|1,0,1]=4 2747 B11R1.357 CC(C)(F)C(=O)N1CCCC1 240690a_100000188435_100000765255 [0,2,0,0,0,0|2,0,0]=4 2748 B11R1.357 CC(C)(F)C(=O)N1CCCC1 527a_100000188435_100000765255 [0,2,0,0,0,0|2,0,0]=4 2749 B11R1.357 CC(C)(O)C(=O)C1CCCC1 1458a_100000242741_100000179811 [0,2,0,0,0,0|1,0,1]=4 2750 B11R1.357 CC(C)(O)C(=O)N1CCCC1 240690a_100000188435_100000242741 [0,2,0,0,0,0|2,0,0]=4 2751 B11R1.357 CC(F)(F)C(=O)N1CCCC1 240690a_100000188435_100000042251 [0,2,0,0,0,0|2,0,0]=4 2752 B11R1.357 CC(F)(F)C(=O)N1CCCC1 527a_100000188435_100000042251 [0,2,0,0,0,0|2,0,0]=4 2753 B11R1.357 O=C(C1=CCCC1)C(F)(F)F 1458a_100000038896_200000243211 [0,2,0,0,0,0|2,0,0]=4 2754 B11R1.1105 CC(C)C(=O)C1(CCCC1)C 1458a_100000239728_100000210206 [0,2,0,0,0,0|1,0,1]=4 2755 B11R1.1105 CC(C)C(=O)C1(CCCC1)O 1458a_100000242637_100000210206 [0,2,0,0,0,0|1,0,1]=4 2756 B11R1.1105 CC(C)C(=O)C1(CCCO1)C 1458a_100000684770_100000210206 [0,2,0,0,0,0|1,0,1]=4 2757 B11R1.59 CCC(=O)C1CCCN1CC 1458a_106256033941_100000210202 [0,2,0,0,0,0|0,0,2]=4 2758 B11R1.59 CCC(=O)N1CCCC1C#N 11a_100000701862_100000210414 [0,2,0,0,0,0|2,0,0]=4 2759 B11R1.59 CCC(=O)N1CCCC1C#N 1626a_100000701862_100000210414 [0,2,0,0,0,0|2,0,0]=4 2760 B11R1.59 CCC(=O)N1CCCC1C#N 240690a_100000701862_100000210414 [0,2,0,0,0,0|2,0,0]=4 2761 B11R1.59 CCC(=O)N1CCCC1C#N 527a_100000701862_100000210414 [0,2,0,0,0,0|2,0,0]=4 2762 B11R1.59 CCC(=O)N1CCCC1CC 11a_100000754278_100000210414 [0,2,0,0,0,0|2,0,0]=4 2763 B11R1.59 CCC(=O)N1CCCC1CC 1626a_100000754278_100000210414 [0,2,0,0,0,0|2,0,0]=4 2764 B11R1.59 CCC(=O)N1CCCC1CC 240690a_100000754278_100000210414 [0,2,0,0,0,0|2,0,0]=4 2765 B11R1.59 CCC(=O)N1CCCC1CC 527a_100000754278_100000210414 [0,2,0,0,0,0|2,0,0]=4 2766 B11R1.59 CCC(=O)N1CCC[C@@H]1C#N 240690a_106645074975_100000210414 [0,2,0,0,0,0|2,0,0]=4 2767 B11R1.59 CCC(=O)N1CCC[C@@H]1C#N 527a_106645074975_100000210414 [0,2,0,0,0,0|2,0,0]=4 2768 B11R1.59 CCC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100000210414 [0,2,0,0,0,0|2,0,0]=4 2769 B11R1.59 CCC(=O)N1CCC[C@@H]1CO 527a_100000745186_100000210414 [0,2,0,0,0,0|2,0,0]=4 2770 B11R1.227 CCC(=O)N1CCCC1(C)C 11a_100000761399_100000210414 [0,2,0,0,0,0|2,0,0]=4 2771 B11R1.227 CCC(=O)N1CCCC1(C)C 1626a_100000761399_100000210414 [0,2,0,0,0,0|2,0,0]=4 2772 B11R1.227 CCC(=O)N1CCCC1(C)C 240690a_100000761399_100000210414 [0,2,0,0,0,0|2,0,0]=4 2773 B11R1.227 CCC(=O)N1CCCC1(C)C 527a_100000761399_100000210414 [0,2,0,0,0,0|2,0,0]=4 2774 B11R1.227 CCC(=O)[C@@H]1CCC[N+]1(C)C 1458a_100016991750_100000210202 [0,2,0,0,0,0|0,0,2]=4 2775 B11R1.875 CCC(=O)N1C(CCC1C)C 11a_100000687148_100000210414 [0,2,0,0,0,0|2,0,0]=4 2776 B11R1.875 CCC(=O)N1C(CCC1C)C 240690a_100000687148_100000210414 [0,2,0,0,0,0|2,0,0]=4 2777 B11R1.875 CCC(=O)N1C(CCC1C)C 527a_100000687148_100000210414 [0,2,0,0,0,0|2,0,0]=4 2778 B11R1.1472 CCC(=O)C1(CCCC1)C#N 1458a_100000209868_100000210202 [0,2,0,0,0,0|1,0,1]=4 2779 B9R1.88 CCC(=O)C1CC1CC 1458a_200011661523_100000210202 [0,0,1,1,0,0|1,0,1]=4 2780 B9R1.101 CCC(=O)N(C)C1CC1 11a_100000226674_100000210414 [0,0,1,1,0,0|2,0,0]=4 2781 B9R1.101 CCC(=O)N(C)C1CC1 1626a_100000226674_100000210414 [0,0,1,1,0,0|2,0,0]=4 2782 B9R1.101 CCC(=O)N(C)C1CC1 240690a_100000226674_100000210414 [0,0,1,1,0,0|2,0,0]=4 2783 B9R1.101 CCC(=O)N(C)C1CC1 527a_100000226674_100000210414 [0,0,1,1,0,0|2,0,0]=4 2784 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [0,0,1,1,0,0|1,0,1]=4 2785 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [0,0,1,1,0,0|1,0,1]=4 2786 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [0,0,1,1,0,0|1,0,1]=4 2787 B9R1.78 CCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210414 [0,0,1,1,0,0|2,0,0]=4 2788 B9R1.78 CCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000210414 [0,0,1,1,0,0|2,0,0]=4 2789 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000210414 [0,0,1,1,0,0|2,0,0]=4 2790 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000210414 [0,0,1,1,0,0|2,0,0]=4 2791 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210414 [0,0,1,1,0,0|2,0,0]=4 2792 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000210414 [0,0,1,1,0,0|2,0,0]=4 2793 B9R1.79 CCC(=O)C=C1CCC1 1458a_100000686340_100000210202 [0,0,1,1,0,0|1,0,0]=3 2794 B9R1.79 CCC(=O)CC1CCC1 1458a_100000210414_100000763275 [0,0,1,1,0,0|1,0,1]=4 2795 B9R1.79 CCC(=O)CC1CCC1 1458a_100000763092_100000210202 [0,0,1,1,0,0|1,0,1]=4 2796 B9R1.79 CCC(=O)CC1CCO1 1458a_100000210414_100000103362 [0,0,1,1,0,0|1,0,1]=4 2797 B9R1.79 CCC(=O)CN1CCC1 269982a_100000754969_100000747405 [0,0,1,1,0,0|0,0,2]=4 2798 B9R1.79 CCC(=O)NC1CCC1 11a_100000749019_100000210414 [0,0,1,1,0,0|2,0,0]=4 2799 B9R1.79 CCC(=O)NC1CCC1 1626a_100000749019_100000210414 [0,0,1,1,0,0|2,0,0]=4 2800 B9R1.79 CCC(=O)NC1CCC1 240690a_100000749019_100000210414 [0,0,1,1,0,0|2,0,0]=4 2801 B9R1.79 CCC(=O)NC1CCC1 527a_100000749019_100000210414 [0,0,1,1,0,0|2,0,0]=4 2802 B9R1.79 CNC(=O)C=C1CCC1 11a_106832991635_100000686340 [0,0,1,1,0,0|2,0,0]=4 2803 B9R1.79 CNC(=O)C=C1CCC1 240690a_100102657272_100000686340 [0,0,1,1,0,0|2,0,0]=4 2804 B9R1.79 O=C(C=C1CCC1)CF 1458a_100000686340_100015361967 [0,0,1,1,0,0|2,0,0]=4 2805 B9R1.80 CCC(=O)C=CC1CC1 1458a_100102529529_100000210202 [0,0,1,1,0,0|1,0,0]=3 2806 B9R1.80 CCC(=O)CCC1CC1 1458a_100000210414_100000694398 [0,0,1,1,0,0|1,0,1]=4 2807 B9R1.80 CCC(=O)CCC1CC1 1458a_100000756386_100000210202 [0,0,1,1,0,0|1,0,1]=4 2808 B9R1.80 CCC(=O)CCC1CO1 1458a_100000210414_100000732470 [0,0,1,1,0,0|1,0,1]=4 2809 B9R1.80 CCC(=O)COC1CC1 34a_100000725409_100000211595 [0,0,1,1,0,0|1,0,1]=4 2810 B9R1.80 CCC(=O)CSC1CC1 62a_100000747405_100000211595 [0,0,1,1,0,0|1,0,1]=4 2811 B9R1.80 CCC(=O)NCC1CC1 11a_100000735609_100000210414 [0,0,1,1,0,0|2,0,0]=4 2812 B9R1.80 CCC(=O)NCC1CC1 1626a_100000735609_100000210414 [0,0,1,1,0,0|2,0,0]=4 2813 B9R1.80 CCC(=O)NCC1CC1 240690a_100000735609_100000210414 [0,0,1,1,0,0|2,0,0]=4 2814 B9R1.80 CCC(=O)NCC1CC1 527a_100000735609_100000210414 [0,0,1,1,0,0|2,0,0]=4 2815 B9R1.80 CCC(=O)NNC1CC1 22a_100000701032_100000210414 [0,0,1,1,0,0|1,0,1]=4 2816 B9R1.80 CNC(=O)C=CC1CC1 11a_106832991635_100102529529 [0,0,1,1,0,0|2,0,0]=4 2817 B9R1.80 CNC(=O)C=CC1CC1 1626a_100102657272_100102529529 [0,0,1,1,0,0|2,0,0]=4 2818 B9R1.80 CNC(=O)C=CC1CC1 240690a_100102657272_100102529529 [0,0,1,1,0,0|2,0,0]=4 2819 B9R1.80 O=C(C=CC1CC1)CF 1458a_100102529529_100015361967 [0,0,1,1,0,0|2,0,0]=4 2820 B9R1.190 CCC(=O)C1(CC1)OC 1458a_100000137688_100000210202 [0,0,1,1,0,0|1,0,1]=4 2821 B11R2.905 CCC(=O)C1C2C1COC2 1458a_100000138910_100000210202 [0,0,0,1,0,1|1,0,1]=4 2822 B11R2.914 CCC(=O)N1CC2CC2C1 11a_100000741873_100000210414 [0,0,0,1,0,1|2,0,0]=4 2823 B11R2.914 CCC(=O)N1CC2CC2C1 1626a_100000741873_100000210414 [0,0,0,1,0,1|2,0,0]=4 2824 B11R2.914 CCC(=O)N1CC2CC2C1 240690a_100000741873_100000210414 [0,0,0,1,0,1|2,0,0]=4 2825 B11R2.914 CCC(=O)N1CC2CC2C1 527a_100000741873_100000210414 [0,0,0,1,0,1|2,0,0]=4 2826 B11R2.7 O=C1CCC1N2CCCC2 269982a_100000188435_100009892977 [0,0,0,1,0,1|2,0,0]=4 2827 B11R2.28 CSC1C(=O)[C@H]2CC[C@@H]1C2 62a_200000210301_200015607011 [0,1,0,1,0,0|1,0,1]=4 2828 B11R2.28 CSC1C(=O)[C@H]2CC[C@@H]1C2 62a_200015607011_200000210301 [0,1,0,1,0,0|1,0,1]=4 2829 B11R2.28 [13CH3]SC1C(=O)[C@H]2CC[C@@H]1C2 62a_200015607011_200025704644 [0,1,0,1,0,0|1,0,1]=4 2830 B11R2.28 [13CH3]SC1C(=O)[C@H]2CC[C@@H]1C2 62a_200025704644_200015607011 [0,1,0,1,0,0|1,0,1]=4 2831 B11R2.1031 O=C(C1CC1)N2CCCC2 240690a_100000188435_100000210395 [0,1,0,1,0,0|2,0,0]=4 2832 B11R2.1031 O=C(C1CC1)N2CCCC2 527a_100000188435_100000210395 [0,1,0,1,0,0|2,0,0]=4 2833 B11R2.1031 O=C(C1CCCC1)C2CC2 1458a_100000210395_100000179811 [0,1,0,1,0,0|1,0,1]=4 2834 B11R2.1031 O=C(C1CCCC1)C2CO2 1458a_100000701028_100000179811 [0,1,0,1,0,0|1,0,1]=4 2835 B11R2.1031 O=C(C1CO1)N2CCCC2 240690a_100000188435_100000701028 [0,1,0,1,0,0|2,0,0]=4 2836 B11R2.1031 O=C(C1CO1)N2CCCC2 527a_100000188435_100000701028 [0,1,0,1,0,0|2,0,0]=4 2837 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [1,0,0,0,1,0|0,0,1]=3 2838 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [1,0,0,0,1,0|0,0,1]=3 2839 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [1,0,0,0,1,0|1,0,1]=4 2840 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [1,0,0,0,1,0|1,0,1]=4 2841 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [1,0,0,0,1,0|1,0,1]=4 2842 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [1,0,0,0,1,0|1,0,0]=3 2843 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [1,0,0,0,1,0|1,0,0]=3 2844 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [1,0,0,0,1,0|1,0,0]=3 2845 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [1,0,0,0,1,0|0,0,1]=3 2846 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [1,0,0,0,1,0|1,0,1]=4 2847 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [1,0,0,0,1,0|1,0,1]=4 2848 B7R1.6 CCCN1CCC1 269982a_100000754969_100000210303 [1,0,0,0,1,0|1,0,1]=4 2849 B7R1.6 CCNC1CCC1 2230a_100000749019_100000210202 [1,0,0,0,1,0|1,0,1]=4 2850 B7R1.6 CCNC1CCC1 270004a_100015525214_100000241760 [1,0,0,0,1,0|1,0,1]=4 2851 B7R1.6 CCNC1CCC1 34a_100000749019_100000210202 [1,0,0,0,1,0|1,0,1]=4 2852 B7R1.6 CCOC1CCC1 34a_100000748187_100000210202 [1,0,0,0,1,0|1,0,1]=4 2853 B7R1.6 CCOC1CCC1 34a_100121572206_100000749161 [1,0,0,0,1,0|1,0,1]=4 2854 B7R1.6 CCSC1CCC1 62a_100000210202_100000749161 [1,0,0,0,1,0|1,0,1]=4 2855 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [0,0,0,0,2,0|0,0,1]=3 2856 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [0,0,0,0,2,0|1,0,1]=4 2857 B7R1.22 CNC(=O)C1CC1 11a_106832991635_100000210395 [0,0,0,0,2,0|1,0,1]=4 2858 B7R1.22 CNC(=O)C1CC1 1626a_100102657272_100000210395 [0,0,0,0,2,0|1,0,1]=4 2859 B7R1.22 CNC(=O)C1CC1 240690a_100102657272_100000210395 [0,0,0,0,2,0|1,0,1]=4 2860 B7R1.22 CNC(=O)C1CC1 527a_100102657272_100000210395 [0,0,0,0,2,0|1,0,1]=4 2861 B7R1.22 O=C(CF)C1CC1 1458a_100000210395_100015361967 [0,0,0,0,2,0|1,0,1]=4 2862 B9R0.26 CCC(=O)CC(CC)CC 1458a_100000210414_100011215472 [0,0,1,0,0,1|1,0,1]=4 2863 B9R0.26 CCC(=O)CN(CC)CC 1458a_100000758533_100000210202 [0,0,1,0,0,1|2,0,0]=4 2864 B9R0.26 CCC(=O)CN(CC)CC 269956a_100000042499_100000747405 [0,0,1,0,0,1|2,0,0]=4 2865 B9R0.26 CCC(=O)CN(CC)CC 269982a_100000724800_100000747405 [0,0,1,0,0,1|2,0,0]=4 2866 B9R0.26 CCC(=O)NC(CC)CC 11a_100000199018_100000210414 [0,0,1,0,0,1|1,0,1]=4 2867 B9R0.26 CCC(=O)NC(CC)CC 1626a_100000199018_100000210414 [0,0,1,0,0,1|1,0,1]=4 2868 B9R0.26 CCC(=O)NC(CC)CC 240690a_100000199018_100000210414 [0,0,1,0,0,1|1,0,1]=4 2869 B9R0.26 CCC(=O)NC(CC)CC 527a_100000199018_100000210414 [0,0,1,0,0,1|1,0,1]=4 2870 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [1,0,0,0,0,1|1,0,0]=3 2871 B9R1.6 CC(=O)C1=CCCCO1 1458a_100000764163_200000210301 [1,0,0,0,0,1|1,0,0]=3 2872 B9R1.6 CC(=O)C1=COCCC1 1458a_100000749935_200000210301 [1,0,0,0,0,1|1,0,0]=3 2873 B9R1.6 CC(=O)C1=COCCO1 1458a_100000008702_200000210301 [1,0,0,0,0,1|1,0,1]=4 2874 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [1,0,0,0,0,1|1,0,1]=4 2875 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [1,0,0,0,0,1|1,0,1]=4 2876 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [1,0,0,0,0,1|1,0,1]=4 2877 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [1,0,0,0,0,1|1,0,1]=4 2878 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [1,0,0,0,0,1|1,0,1]=4 2879 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [1,0,0,0,0,1|1,0,1]=4 2880 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [1,0,0,0,0,1|1,0,1]=4 2881 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [1,0,0,0,0,1|1,0,1]=4 2882 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [1,0,0,0,0,1|1,0,1]=4 2883 B9R1.6 CC(=O)C1COCCO1 1458a_100000045528_200000210301 [1,0,0,0,0,1|1,0,1]=4 2884 B9R1.6 CC(=O)C1SCCCS1 1458a_100000028545_200000210301 [1,0,0,0,0,1|1,0,1]=4 2885 B9R1.6 CC(=O)N1CCCOC1 11a_100000131196_100015343762 [1,0,0,0,0,1|2,0,0]=4 2886 B9R1.6 CC(=O)N1CCCOC1 240690a_100000131196_100015343762 [1,0,0,0,0,1|2,0,0]=4 2887 B9R1.6 CC(=O)N1CCOCC1 11a_100015191051_100015343762 [1,0,0,0,0,1|2,0,0]=4 2888 B9R1.6 CC(=O)N1CCOCC1 1626a_100015191051_100015343762 [1,0,0,0,0,1|2,0,0]=4 2889 B9R1.6 CC(=O)N1CCOCC1 240690a_100015191051_100015343762 [1,0,0,0,0,1|2,0,0]=4 2890 B9R1.6 CC(=O)N1CCOCC1 527a_100015191051_100103153847 [1,0,0,0,0,1|2,0,0]=4 2891 B9R1.6 CC(=O)N1CCSCC1 11a_100000737611_100015343762 [1,0,0,0,0,1|2,0,0]=4 2892 B9R1.6 CC(=O)N1CCSCC1 240690a_100000737611_100015343762 [1,0,0,0,0,1|2,0,0]=4 2893 B9R1.6 CC(=O)N1CCSCC1 527a_100000737611_100103153847 [1,0,0,0,0,1|2,0,0]=4 2894 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [1,0,0,0,0,1|1,0,0]=3 2895 B9R1.6 [13CH3]C(=O)C1=CCCCO1 1458a_100000764163_200025704644 [1,0,0,0,0,1|1,0,0]=3 2896 B9R1.6 [13CH3]C(=O)C1=COCCC1 1458a_100000749935_200025704644 [1,0,0,0,0,1|1,0,0]=3 2897 B9R1.6 [13CH3]C(=O)C1=COCCO1 1458a_100000008702_200025704644 [1,0,0,0,0,1|1,0,1]=4 2898 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [1,0,0,0,0,1|1,0,1]=4 2899 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [1,0,0,0,0,1|1,0,1]=4 2900 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [1,0,0,0,0,1|1,0,1]=4 2901 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [1,0,0,0,0,1|1,0,1]=4 2902 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [1,0,0,0,0,1|1,0,1]=4 2903 B9R1.6 [13CH3]C(=O)C1COCCO1 1458a_100000045528_200025704644 [1,0,0,0,0,1|1,0,1]=4 2904 B9R1.6 [13CH3]C(=O)C1SCCCS1 1458a_100000028545_200025704644 [1,0,0,0,0,1|1,0,1]=4 2905 B11R1.40 CCC(=O)C=C1CCCCC1 1458a_100000743792_100000210202 [0,0,0,0,0,2|1,0,0]=3 2906 B11R1.40 CCC(=O)C=C1CCOCC1 1458a_100000761426_100000210202 [0,0,0,0,0,2|1,0,0]=3 2907 B11R1.40 CCC(=O)CC1=CCCCC1 1458a_100000039269_100000210202 [0,0,0,0,0,2|1,0,0]=3 2908 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000210414_100000211423 [0,0,0,0,0,2|1,0,1]=4 2909 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000211666_100000210202 [0,0,0,0,0,2|1,0,1]=4 2910 B11R1.40 CCC(=O)CC1CCCCO1 1458a_100000210414_100000211543 [0,0,0,0,0,2|1,0,1]=4 2911 B11R1.40 CCC(=O)CC1CCCCO1 1458a_100000238585_100000210202 [0,0,0,0,0,2|1,0,1]=4 2912 B11R1.40 CCC(=O)CC1CCCOC1 1458a_100000210414_100000741521 [0,0,0,0,0,2|1,0,1]=4 2913 B11R1.40 CCC(=O)CC1CCCOC1 1458a_100000741523_100000210202 [0,0,0,0,0,2|1,0,1]=4 2914 B11R1.40 CCC(=O)CC1CCOCC1 1458a_100000210414_100000754603 [0,0,0,0,0,2|1,0,1]=4 2915 B11R1.40 CCC(=O)CC1CCOCC1 1458a_100000757261_100000210202 [0,0,0,0,0,2|1,0,1]=4 2916 B11R1.40 CCC(=O)CN1CCCCC1 1458a_100000740322_100000210202 [0,0,0,0,0,2|2,0,0]=4 2917 B11R1.40 CCC(=O)CN1CCCOC1 269982a_100000131196_100000747405 [0,0,0,0,0,2|2,0,0]=4 2918 B11R1.40 CCC(=O)CN1CCOCC1 1458a_100000740321_100000210202 [0,0,0,0,0,2|2,0,0]=4 2919 B11R1.40 CCC(=O)CN1CCOCC1 269982a_100015191051_100000747405 [0,0,0,0,0,2|2,0,0]=4 2920 B11R1.40 CCC(=O)CN1CCSCC1 269982a_100000737611_100000747405 [0,0,0,0,0,2|2,0,0]=4 2921 B11R1.40 CCC(=O)NC1CCCCC1 11a_100000182618_100000210414 [0,0,0,0,0,2|1,0,1]=4 2922 B11R1.40 CCC(=O)NC1CCCCC1 1626a_100000182618_100000210414 [0,0,0,0,0,2|1,0,1]=4 2923 B11R1.40 CCC(=O)NC1CCCCC1 240690a_100000182618_100000210414 [0,0,0,0,0,2|1,0,1]=4 2924 B11R1.40 CCC(=O)NC1CCCCC1 527a_100000182618_100000210414 [0,0,0,0,0,2|1,0,1]=4 2925 B11R1.40 CCC(=O)NC1CCCOC1 11a_100000719290_100000210414 [0,0,0,0,0,2|1,0,1]=4 2926 B11R1.40 CCC(=O)NC1CCCOC1 1626a_100000719290_100000210414 [0,0,0,0,0,2|1,0,1]=4 2927 B11R1.40 CCC(=O)NC1CCCOC1 240690a_100000719290_100000210414 [0,0,0,0,0,2|1,0,1]=4 2928 B11R1.40 CCC(=O)NC1CCCOC1 527a_100000719290_100000210414 [0,0,0,0,0,2|1,0,1]=4 2929 B11R1.40 CCC(=O)NC1CCOCC1 11a_100000741149_100000210414 [0,0,0,0,0,2|1,0,1]=4 2930 B11R1.40 CCC(=O)NC1CCOCC1 1626a_100000741149_100000210414 [0,0,0,0,0,2|1,0,1]=4 2931 B11R1.40 CCC(=O)NC1CCOCC1 240690a_100000741149_100000210414 [0,0,0,0,0,2|1,0,1]=4 2932 B11R1.40 CCC(=O)NC1CCOCC1 527a_100000741149_100000210414 [0,0,0,0,0,2|1,0,1]=4 2933 B11R1.40 CCC(=O)NC1CCSCC1 11a_100000748639_100000210414 [0,0,0,0,0,2|1,0,1]=4 2934 B11R1.40 CCC(=O)NC1CCSCC1 1626a_100000748639_100000210414 [0,0,0,0,0,2|1,0,1]=4 2935 B11R1.40 CCC(=O)NC1CCSCC1 240690a_100000748639_100000210414 [0,0,0,0,0,2|1,0,1]=4 2936 B11R1.40 CCC(=O)NC1CCSCC1 527a_100000748639_100000210414 [0,0,0,0,0,2|1,0,1]=4 2937 B11R1.40 CNC(=O)C=C1CCCCC1 11a_106832991635_100000743792 [0,0,0,0,0,2|2,0,0]=4 2938 B11R1.40 CNC(=O)C=C1CCCCC1 1626a_100102657272_100000743792 [0,0,0,0,0,2|2,0,0]=4 2939 B11R1.40 CNC(=O)C=C1CCCCC1 240690a_100102657272_100000743792 [0,0,0,0,0,2|2,0,0]=4 2940 B11R1.40 CNC(=O)C=C1CCOCC1 11a_106832991635_100000761426 [0,0,0,0,0,2|2,0,0]=4 2941 B11R1.40 CNC(=O)C=C1CCOCC1 240690a_100102657272_100000761426 [0,0,0,0,0,2|2,0,0]=4 2942 B11R1.40 CNC(=O)CC1=CCCCC1 11a_106832991635_100000039269 [0,0,0,0,0,2|2,0,0]=4 2943 B11R1.40 CNC(=O)CC1=CCCCC1 1626a_100102657272_100000039269 [0,0,0,0,0,2|2,0,0]=4 2944 B11R1.40 CNC(=O)CC1=CCCCC1 240690a_100102657272_100000039269 [0,0,0,0,0,2|2,0,0]=4 2945 B11R1.40 CNC(=O)CC1=CCCCC1 527a_100102657272_100000039269 [0,0,0,0,0,2|2,0,0]=4 2946 B11R1.40 O=C(C=C1CCCCC1)CF 1458a_100000743792_100015361967 [0,0,0,0,0,2|2,0,0]=4 2947 B11R1.40 O=C(C=C1CCOCC1)CF 1458a_100000761426_100015361967 [0,0,0,0,0,2|2,0,0]=4 2948 B11R1.40 O=C(CF)CC1=CCCCC1 1458a_100000039269_100015361967 [0,0,0,0,0,2|2,0,0]=4 2949 B11R1.852 CCC(=O)C1CCC=CCC1 1458a_100000048548_100000210202 [0,0,0,0,0,2|1,0,1]=4 2950 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000210414_100011217769 [0,0,0,0,0,2|1,0,1]=4 2951 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000749507_100000210202 [0,0,0,0,0,2|1,0,1]=4 2952 B11R1.852 CCC(=O)N1CCCCCC1 11a_100000185865_100000210414 [0,0,0,0,0,2|2,0,0]=4 2953 B11R1.852 CCC(=O)N1CCCCCC1 1626a_100000185865_100000210414 [0,0,0,0,0,2|2,0,0]=4 2954 B11R1.852 CCC(=O)N1CCCCCC1 240690a_100000185865_100000210414 [0,0,0,0,0,2|2,0,0]=4 2955 B11R1.852 CCC(=O)N1CCCCCC1 527a_100000185865_100000210414 [0,0,0,0,0,2|2,0,0]=4 2956 B11R1.852 CCC(=O)N1CCCOCC1 11a_100000685342_100000210414 [0,0,0,0,0,2|2,0,0]=4 2957 B11R1.852 CCC(=O)N1CCCOCC1 1626a_100000685342_100000210414 [0,0,0,0,0,2|2,0,0]=4 2958 B11R1.852 CCC(=O)N1CCCOCC1 240690a_100000685342_100000210414 [0,0,0,0,0,2|2,0,0]=4 2959 B11R1.852 CCC(=O)N1CCCOCC1 527a_100000685342_100000210414 [0,0,0,0,0,2|2,0,0]=4 2960 B11R1.25 CCC(=O)C=CC1=CCCC1 1458a_100016262312_100000210202 [0,0,0,0,0,2|1,0,0]=3 2961 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000210414_100000760354 [0,0,0,0,0,2|1,0,1]=4 2962 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000211120_100000210202 [0,0,0,0,0,2|1,0,1]=4 2963 B11R1.25 CCC(=O)CCC1CCCO1 1458a_100011247709_100000210202 [0,0,0,0,0,2|1,0,1]=4 2964 B11R1.25 CCC(=O)CCN1CCCC1 1458a_100000210414_100000004467 [0,0,0,0,0,2|2,0,0]=4 2965 B11R1.25 CCC(=O)CCN1CCCC1 1458a_100000738983_100000210202 [0,0,0,0,0,2|2,0,0]=4 2966 B11R1.25 CCC(=O)CCN1CCCO1 1458a_200015187630_100000210202 [0,0,0,0,0,2|2,0,0]=4 2967 B11R1.25 CCC(=O)CNC1=NCCC1 1458a_100000118783_100000210202 [0,0,0,0,0,2|0,0,0]=2 2968 B11R1.25 CCC(=O)COC1CCCC1 1458a_100000741352_100000210202 [0,0,0,0,0,2|1,0,1]=4 2969 B11R1.25 CCC(=O)COC1CCCC1 34a_100000725409_100000179811 [0,0,0,0,0,2|1,0,1]=4 2970 B11R1.25 CCC(=O)COC1CCCC1 7a_100000210269_100000747405 [0,0,0,0,0,2|1,0,1]=4 2971 B11R1.25 CCC(=O)CSC1CCCC1 62a_100000747405_100000179811 [0,0,0,0,0,2|1,0,1]=4 2972 B11R1.25 CCC(=O)CSC1CCCC1 62a_100011217020_100000747405 [0,0,0,0,0,2|1,0,1]=4 2973 B11R1.25 CCC(=O)NCC1CCCC1 11a_100000737975_100000210414 [0,0,0,0,0,2|1,0,1]=4 2974 B11R1.25 CCC(=O)NCC1CCCC1 1626a_100000737975_100000210414 [0,0,0,0,0,2|1,0,1]=4 2975 B11R1.25 CCC(=O)NCC1CCCC1 240690a_100000737975_100000210414 [0,0,0,0,0,2|1,0,1]=4 2976 B11R1.25 CCC(=O)NCC1CCCC1 527a_100000737975_100000210414 [0,0,0,0,0,2|1,0,1]=4 2977 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000210414 [0,0,0,0,0,2|1,0,1]=4 2978 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000210414 [0,0,0,0,0,2|1,0,1]=4 2979 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000210414 [0,0,0,0,0,2|1,0,1]=4 2980 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000210414 [0,0,0,0,0,2|1,0,1]=4 2981 B11R1.25 CCC(=O)NN=C1C=CCC1 4a_100000183195_100000239507 [0,0,0,0,0,2|1,0,1]=4 2982 B11R1.25 CCC(=O)NN=C1CCCC1 4a_100000183195_100000210133 [0,0,0,0,0,2|1,0,0]=3 2983 B11R1.25 CCC(=O)NN=C1CCOC1 4a_100000183195_100000752484 [0,0,0,0,0,2|2,0,0]=4 2984 B11R1.25 CCC(=O)NN=C1CCSC1 4a_100000183195_100000212027 [0,0,0,0,0,2|2,0,0]=4 2985 B11R1.25 CCC(=O)NNC1CCCC1 22a_100000737850_100000210414 [0,0,0,0,0,2|1,0,1]=4 2986 B11R1.25 CNC(=O)C=CC1=CCCC1 11a_106832991635_100016262312 [0,0,0,0,0,2|2,0,0]=4 2987 B11R1.25 CNC(=O)C=CC1=CCCC1 1626a_100102657272_100016262312 [0,0,0,0,0,2|2,0,0]=4 2988 B11R1.25 CNC(=O)C=CC1=CCCC1 240690a_100102657272_100016262312 [0,0,0,0,0,2|2,0,0]=4 2989 B11R1.25 CNC(=O)CNC1=NCCC1 240690a_100102657272_100000118783 [0,0,0,0,0,2|1,0,0]=3 2990 B11R1.25 O=C(C=CC1=CCCC1)CF 1458a_100016262312_100015361967 [0,0,0,0,0,2|2,0,0]=4 2991 B11R1.25 O=C(CF)CNC1=NCCC1 1458a_100000118783_100015361967 [0,0,0,0,0,2|1,0,0]=3