0 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.11 CCC(=O)C1=CCOC1 1458a_100000139269_100000210202 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.11 CCC(=O)C1=COCC1 1458a_100000750620_100000210202 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [0,0,0,0,0,0|1,0,1]=2 6 B9R1.11 CCC(=O)C1CCOC1 1458a_100000210414_100000690089 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.11 CCC(=O)C1CCOC1 1458a_100011219752_100000210202 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.11 CCC(=O)N1CCCC1 240690a_100000188435_100000210414 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.11 CCC(=O)N1CCCC1 527a_100000188435_100000210414 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.11 CCC(=O)N1CCSC1 11a_100011215254_100000210414 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.11 CCC(=O)N1CCSC1 240690a_100011215254_100000210414 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.11 CCC(=O)N1CCSC1 527a_100011215254_100000210414 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [0,0,0,0,0,0|1,1,1]=3 14 B9R1.11 CNC(=O)C1=CCCC1 11a_106832991635_100000038896 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.11 CNC(=O)C1=CCCC1 1626a_100102657272_100000038896 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.11 CNC(=O)C1=CCCC1 240690a_100102657272_100000038896 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.11 CNC(=O)C1=CCOC1 11a_106832991635_100000139269 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.11 CNC(=O)C1=CCOC1 1626a_100102657272_100000139269 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.11 CNC(=O)C1=CCOC1 240690a_100102657272_100000139269 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.11 CNC(=O)C1=COCC1 1626a_100102657272_100000750620 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.11 CNC(=O)C1=COCC1 240690a_100102657272_100000750620 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.11 CNC(=O)C1CCCC1 11a_106832991635_100000210718 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.11 CNC(=O)C1CCCC1 1626a_100102657272_100000210718 [0,0,0,0,0,0|3,0,1]=4 24 B9R1.11 CNC(=O)C1CCCC1 240690a_100102657272_100000210718 [0,0,0,0,0,0|3,0,1]=4 25 B9R1.11 CNC(=O)C1CCCC1 527a_100102657272_100000210718 [0,0,0,0,0,0|3,0,1]=4 26 B9R1.11 CNC(=O)C1CCCS1 11a_106832991635_100012002731 [0,0,0,0,0,0|2,0,1]=3 27 B9R1.11 CNC(=O)C1CCCS1 1626a_100102657272_100012002731 [0,0,0,0,0,0|2,0,1]=3 28 B9R1.11 CNC(=O)C1CCCS1 240690a_100102657272_100012002731 [0,0,0,0,0,0|2,0,1]=3 29 B9R1.11 CNC(=O)C1CCCS1 527a_100102657272_100012002731 [0,0,0,0,0,0|2,0,1]=3 30 B9R1.11 CNC(=O)N1CCCC1 2708a_100102657272_100000188435 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.11 CNC(=O)N1CCCC1 273464a_100102657272_100000188435 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.11 CNC(=O)[C@@H]1CCCO1 11a_106832991635_100000686382 [0,0,0,0,0,0|2,1,1]=4 33 B9R1.11 CNC(=O)[C@@H]1CCCO1 1626a_100102657272_100000686382 [0,0,0,0,0,0|2,1,1]=4 34 B9R1.11 CNC(=O)[C@@H]1CCCO1 240690a_100102657272_100000686382 [0,0,0,0,0,0|2,1,1]=4 35 B9R1.11 CNC(=O)[C@@H]1CCCO1 527a_100102657272_100000686382 [0,0,0,0,0,0|2,1,1]=4 36 B9R1.11 O=C(CF)C1=CCCC1 1458a_100000038896_100015361967 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.11 O=C(CF)C1=CCOC1 1458a_100000139269_100015361967 [0,0,0,0,0,0|4,0,0]=4 38 B9R1.11 O=C(CF)C1=COCC1 1458a_100000750620_100015361967 [0,0,0,0,0,0|4,0,0]=4 39 B9R1.11 O=C(CF)C1CCCC1 1458a_100000210718_100015361967 [0,0,0,0,0,0|3,0,1]=4 40 B9R1.11 O=C(CF)C1CCCS1 1458a_100012002731_100015361967 [0,0,0,0,0,0|2,0,1]=3 41 B9R1.11 O=C(CF)[C@@H]1CCCO1 1458a_100000686382_100015361967 [0,0,0,0,0,0|2,1,1]=4 42 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [0,0,0,0,0,0|3,0,1]=4 43 B9R1.11 O=C(CO)N1CCCC1 240690a_100000188435_100000210174 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.11 O=C(CO)N1CCCC1 527a_100000188435_100000210174 [0,0,0,0,0,0|4,0,0]=4 45 B8R1.7 C=C(C)c1nccs1 271570a_100000694244_100000211983 [1,0,0,0,0,0|1,0,2]=4 46 B8R1.7 C=C(C)c1ncns1 271570a_100000694244_100000693119 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.7 C=C(C)c1nncs1 271570a_100000694244_100000739804 [1,0,0,0,0,0|2,0,1]=4 48 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [1,0,0,0,0,0|2,0,1]=4 52 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [1,0,0,0,0,0|2,0,1]=4 53 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [1,0,0,0,0,0|1,0,1]=3 54 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [1,0,0,0,0,0|1,1,1]=4 57 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [1,0,0,0,0,0|2,0,1]=4 61 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [1,0,0,0,0,0|1,0,1]=3 62 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [1,0,0,0,0,0|1,1,1]=4 63 B8R1.8 CC=Cc1nccs1 271570a_100016259895_100000211983 [1,0,0,0,0,0|0,0,3]=4 64 B8R1.8 CC=Cc1ncns1 271570a_100016259895_100000693119 [1,0,0,0,0,0|1,0,2]=4 65 B8R1.8 CC=Cc1nncs1 271570a_100016259895_100000739804 [1,0,0,0,0,0|1,0,2]=4 66 B8R1.8 CCNc1ncns1 27a_100015525214_100000693119 [1,0,0,0,0,0|2,0,1]=4 67 B8R1.8 CCNc1nncs1 27a_100015525214_100000739804 [1,0,0,0,0,0|2,0,1]=4 68 B8R1.8 CCSc1nccs1 62a_100000210202_100000211983 [1,0,0,0,0,0|1,0,2]=4 69 B8R1.8 CCSc1nccs1 62a_100000211983_100000210202 [1,0,0,0,0,0|1,0,2]=4 70 B8R1.8 CCSc1ncns1 62a_100000210202_100000693119 [1,0,0,0,0,0|2,0,1]=4 71 B8R1.8 CCSc1ncns1 62a_100000693119_100000210202 [1,0,0,0,0,0|2,0,1]=4 72 B8R1.8 CCSc1nncs1 62a_100000210202_100000739804 [1,0,0,0,0,0|2,0,1]=4 73 B8R1.8 CCSc1nncs1 62a_100000739804_100000210202 [1,0,0,0,0,0|2,0,1]=4 74 B8R1.8 CNCC1=NCCN1 34a_100102657272_100000737910 [1,0,0,0,0,0|2,0,1]=4 75 B8R1.8 CNCC1=NCCN1 7a_106832991635_100000737910 [1,0,0,0,0,0|2,0,1]=4 76 B8R1.8 COCC1=NCCN1 34a_100138415774_100000737910 [1,0,0,0,0,0|2,0,1]=4 77 B8R1.8 CSCC1=NCCN1 62a_100000737910_200000210301 [1,0,0,0,0,0|2,0,1]=4 78 B8R1.8 CSCC1=NCCN1 62a_200000210301_100000737910 [1,0,0,0,0,0|2,0,1]=4 79 B8R1.8 [13CH3]SCC1=NCCN1 62a_100000737910_200025704644 [1,0,0,0,0,0|2,0,1]=4 80 B8R1.8 [13CH3]SCC1=NCCN1 62a_200025704644_100000737910 [1,0,0,0,0,0|2,0,1]=4 81 B10R1.11 C#CCC(=O)C1=CCCC1 1458a_100000038896_100000184674 [0,1,0,0,0,0|2,0,1]=4 82 B10R1.11 C#CCC(=O)C1CCCS1 1458a_100012002731_100000184674 [0,1,0,0,0,0|1,0,2]=4 83 B10R1.11 C=CCC(=O)C1=CCCC1 1458a_100000038896_100000210623 [0,1,0,0,0,0|2,0,1]=4 84 B10R1.11 C=CCC(=O)C1CCCS1 1458a_100012002731_100000210623 [0,1,0,0,0,0|1,0,2]=4 85 B10R1.11 CCCC(=O)C1=CCCC1 1458a_100000038896_100000210303 [0,1,0,0,0,0|2,0,0]=3 86 B10R1.11 CCCC(=O)C1=CCOC1 1458a_100000139269_100000210303 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.11 CCCC(=O)C1=COCC1 1458a_100000750620_100000210303 [0,1,0,0,0,0|3,0,0]=4 88 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000210718_100000210303 [0,1,0,0,0,0|2,0,1]=4 89 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000211992_100000179811 [0,1,0,0,0,0|2,0,1]=4 90 B10R1.11 CCCC(=O)C1CCCS1 1458a_100012002731_100000210303 [0,1,0,0,0,0|1,0,1]=3 91 B10R1.11 CCCC(=O)N1CCCC1 240690a_100000188435_100000211992 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.11 CCCC(=O)N1CCCC1 527a_100000188435_100000211992 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.11 CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210303 [0,1,0,0,0,0|1,1,1]=4 94 B10R1.11 CCNC(=O)C1=CCCC1 11a_100015525214_100000038896 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.11 CCNC(=O)C1=CCCC1 240690a_100015525214_100000038896 [0,1,0,0,0,0|2,0,0]=3 96 B10R1.11 CCNC(=O)C1=CCOC1 11a_100015525214_100000139269 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.11 CCNC(=O)C1=CCOC1 240690a_100015525214_100000139269 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.11 CCNC(=O)C1=COCC1 240690a_100015525214_100000750620 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.11 CCNC(=O)C1CCCC1 11a_100015525214_100000210718 [0,1,0,0,0,0|2,0,1]=4 100 B10R1.11 CCNC(=O)C1CCCC1 240690a_100015525214_100000210718 [0,1,0,0,0,0|2,0,1]=4 101 B10R1.11 CCNC(=O)C1CCCC1 527a_100015525214_100000210718 [0,1,0,0,0,0|2,0,1]=4 102 B10R1.11 CCNC(=O)C1CCCS1 11a_100015525214_100012002731 [0,1,0,0,0,0|1,0,1]=3 103 B10R1.11 CCNC(=O)C1CCCS1 240690a_100015525214_100012002731 [0,1,0,0,0,0|1,0,1]=3 104 B10R1.11 CCNC(=O)C1CCCS1 527a_100015525214_100012002731 [0,1,0,0,0,0|1,0,1]=3 105 B10R1.11 CCNC(=O)N1CCCC1 2708a_100015525214_100000188435 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.11 CCNC(=O)N1CCCC1 273464a_100015525214_100000188435 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.11 CCNC(=O)[C@@H]1CCCO1 11a_100015525214_100000686382 [0,1,0,0,0,0|1,1,1]=4 108 B10R1.11 CCNC(=O)[C@@H]1CCCO1 240690a_100015525214_100000686382 [0,1,0,0,0,0|1,1,1]=4 109 B10R1.11 CCNC(=O)[C@@H]1CCCO1 527a_100015525214_100000686382 [0,1,0,0,0,0|1,1,1]=4 110 B10R1.11 CNCC(=O)N1CCCC1 2230a_100000751844_200000210301 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.11 CNCC(=O)N1CCCC1 2230a_106832991635_100000183516 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.11 CNCC(=O)N1CCCC1 34a_100102657272_100000183516 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.11 CNCC(=O)N1CCCC1 7a_106832991635_100000183516 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.11 CNCC(=O)c1cccs1 2230a_106832991635_100000211436 [0,1,0,0,0,0|1,0,2]=4 115 B10R1.11 CNCC(=O)c1cccs1 7a_106832991635_100000211436 [0,1,0,0,0,0|1,0,2]=4 116 B10R1.11 CNCC(=O)c1nccs1 7a_106832991635_100000718653 [0,1,0,0,0,0|0,0,2]=3 117 B10R1.11 CNNC(=O)C1=CCCC1 22a_100016993582_100000038896 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.11 CNNC(=O)C1CCCS1 22a_100016993582_100012002731 [0,1,0,0,0,0|2,0,1]=4 119 B10R1.11 COCC(=O)C1CCCC1 1458a_100000210968_100000179811 [0,1,0,0,0,0|2,0,1]=4 120 B10R1.11 COCC(=O)N1CCCC1 240690a_100000188435_100000210968 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.11 COCC(=O)N1CCCC1 34a_100138415774_100000183516 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.11 COCC(=O)N1CCCC1 527a_100000188435_100000210968 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.11 COCC(=O)N1CCCC1 7a_200000752455_200000210301 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.11 CSCC(=O)C1CCCC1 1458a_100000184570_100000179811 [0,1,0,0,0,0|2,0,1]=4 125 B10R1.11 CSCC(=O)N1CCCC1 240690a_100000188435_100000184570 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.11 CSCC(=O)N1CCCC1 527a_100000188435_100000184570 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.11 CSCC(=O)N1CCCC1 62a_100000183516_200000210301 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.11 CSCC(=O)N1CCCC1 62a_200000210301_100000183516 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.11 CSCC(=O)c1cccs1 62a_100000211436_200000210301 [0,1,0,0,0,0|1,0,2]=4 130 B10R1.11 CSCC(=O)c1cccs1 62a_200000210301_100000211436 [0,1,0,0,0,0|1,0,2]=4 131 B10R1.11 CSCC(=O)c1nccs1 62a_100000718653_200000210301 [0,1,0,0,0,0|0,0,2]=3 132 B10R1.11 CSCC(=O)c1nccs1 62a_200000210301_100000718653 [0,1,0,0,0,0|0,0,2]=3 133 B10R1.11 N#CCC(=O)C1=CCCC1 1458a_100000038896_100011214920 [0,1,0,0,0,0|2,0,1]=4 134 B10R1.11 N#CCC(=O)C1CCCS1 1458a_100012002731_100011214920 [0,1,0,0,0,0|1,0,2]=4 135 B10R1.11 O=C(CCF)C1=CCCC1 1458a_100000038896_100011217306 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.11 O=C(CCF)C1=CCOC1 1458a_100000139269_100011217306 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.11 O=C(CCF)C1=COCC1 1458a_100000750620_100011217306 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.11 O=C(CCF)C1CCCC1 1458a_100000210718_100011217306 [0,1,0,0,0,0|2,0,1]=4 139 B10R1.11 O=C(CCF)C1CCCS1 1458a_100012002731_100011217306 [0,1,0,0,0,0|1,0,1]=3 140 B10R1.11 O=C(CCF)[C@@H]1CCCO1 1458a_100000686382_100011217306 [0,1,0,0,0,0|1,1,1]=4 141 B10R1.11 O=C(CCO)C1=CCCC1 1458a_100000038896_100000211926 [0,1,0,0,0,0|2,0,0]=3 142 B10R1.11 O=C(CCO)C1=CCOC1 1458a_100000139269_100000211926 [0,1,0,0,0,0|3,0,0]=4 143 B10R1.11 O=C(CCO)C1=COCC1 1458a_100000750620_100000211926 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.11 O=C(CCO)C1CCCC1 1458a_100000210718_100000211926 [0,1,0,0,0,0|2,0,1]=4 145 B10R1.11 O=C(CCO)C1CCCC1 1458a_100011216618_100000179811 [0,1,0,0,0,0|2,0,1]=4 146 B10R1.11 O=C(CCO)C1CCCS1 1458a_100012002731_100000211926 [0,1,0,0,0,0|1,0,1]=3 147 B10R1.11 O=C(CCO)N1CCCC1 240690a_100000188435_100011216618 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.11 O=C(CCO)[C@@H]1CCCO1 1458a_100000686382_100000211926 [0,1,0,0,0,0|1,1,1]=4 149 B10R1.11 [13CH3]NCC(=O)N1CCCC1 2230a_100000751844_200025704644 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.11 [13CH3]OCC(=O)N1CCCC1 7a_200000752455_200025704644 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.11 [13CH3]SCC(=O)N1CCCC1 62a_100000183516_200025704644 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.11 [13CH3]SCC(=O)N1CCCC1 62a_200025704644_100000183516 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_100000211436_200025704644 [0,1,0,0,0,0|1,0,2]=4 154 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_200025704644_100000211436 [0,1,0,0,0,0|1,0,2]=4 155 B10R1.11 [13CH3]SCC(=O)c1nccs1 62a_100000718653_200025704644 [0,1,0,0,0,0|0,0,2]=3 156 B10R1.11 [13CH3]SCC(=O)c1nccs1 62a_200025704644_100000718653 [0,1,0,0,0,0|0,0,2]=3 157 B10R1.14 CCC(=O)C1CCC(C1)O 1458a_100000688591_100000210202 [0,1,0,0,0,0|2,0,1]=4 158 B10R1.14 CCC(=O)N1CCC(C1)O 240690a_100011215560_100000210414 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.14 CCC(=O)N1CCC(C1)O 527a_100011215560_100000210414 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.14 CCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000210414 [0,1,0,0,0,0|3,0,0]=4 161 B10R1.14 CCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000210414 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.14 CCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000210414 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.14 CCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000210414 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.14 CCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000210414 [0,1,0,0,0,0|3,0,0]=4 165 B10R1.14 CCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210414 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.14 CCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000210414 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.14 CCC(=O)c1ccc(s1)O 271570a_203496583355_200011203577 [0,1,0,0,0,0|1,0,2]=4 168 B10R1.14 COC(=O)c1nc(cs1)O 271570a_203496583355_100012360158 [0,1,0,0,0,0|1,0,2]=4 169 B10R1.14 COC(=O)c1ncc(s1)O 271570a_203496583355_100010191244 [0,1,0,0,0,0|1,0,2]=4 170 B10R1.23 CC(C)C(=O)C1=CCCC1 1458a_100000038896_100000210206 [0,1,0,0,0,0|2,0,0]=3 171 B10R1.23 CC(C)C(=O)C1=CCOC1 1458a_100000139269_100000210206 [0,1,0,0,0,0|3,0,0]=4 172 B10R1.23 CC(C)C(=O)C1=COCC1 1458a_100000750620_100000210206 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.23 CC(C)C(=O)C1CCCC1 1458a_100000210198_100000179811 [0,1,0,0,0,0|2,0,1]=4 174 B10R1.23 CC(C)C(=O)C1CCCC1 1458a_100000210718_100000210206 [0,1,0,0,0,0|2,0,1]=4 175 B10R1.23 CC(C)C(=O)C1CCCS1 1458a_100012002731_100000210206 [0,1,0,0,0,0|1,0,1]=3 176 B10R1.23 CC(C)C(=O)N1CCCC1 240690a_100000188435_100000210198 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.23 CC(C)C(=O)N1CCCC1 527a_100000188435_100000210198 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.23 CC(C)C(=O)[C@@H]1CCCO1 1458a_100000686382_100000210206 [0,1,0,0,0,0|1,1,1]=4 179 B10R1.23 CC(F)C(=O)C1CCCC1 1458a_100000062450_100000179811 [0,1,0,0,0,0|2,0,1]=4 180 B10R1.23 CC(F)C(=O)N1CCCC1 240690a_100000188435_100000062450 [0,1,0,0,0,0|3,0,0]=4 181 B10R1.23 CC(F)C(=O)N1CCCC1 527a_100000188435_100000062450 [0,1,0,0,0,0|3,0,0]=4 182 B10R1.23 CN(C)C(=O)C1=CCCC1 11a_100102631434_100000038896 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.23 CN(C)C(=O)C1=CCCC1 1626a_100102631434_100000038896 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.23 CN(C)C(=O)C1=CCCC1 240690a_100102631434_100000038896 [0,1,0,0,0,0|3,0,0]=4 185 B10R1.23 CN(C)C(=O)C1CCCS1 11a_100102631434_100012002731 [0,1,0,0,0,0|2,0,1]=4 186 B10R1.23 CN(C)C(=O)C1CCCS1 1626a_100102631434_100012002731 [0,1,0,0,0,0|2,0,1]=4 187 B10R1.23 CN(C)C(=O)C1CCCS1 240690a_100102631434_100012002731 [0,1,0,0,0,0|2,0,1]=4 188 B10R1.23 CN(C)C(=O)C1CCCS1 527a_100102631434_100012002731 [0,1,0,0,0,0|2,0,1]=4 189 B10R1.23 C[C@@H](O)C(=O)C1CCCC1 1458a_100000717761_100000179811 [0,1,0,0,0,0|2,0,1]=4 190 B10R1.23 C[C@@H](O)C(=O)N1CCCC1 240690a_100000188435_100000717761 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.23 C[C@H](O)C(=O)C1CCCC1 1458a_217856618621_100000179811 [0,1,0,0,0,0|2,0,1]=4 192 B10R1.23 C[C@H](O)C(=O)N1CCCC1 240690a_100000188435_217856618621 [0,1,0,0,0,0|3,0,0]=4 193 B10R1.149 CCC(=O)C1CCCC1=O 1458a_100000210414_100000211823 [0,1,0,0,0,0|2,0,1]=4 194 B10R1.149 CCC(=O)C1CCCC1C 1458a_100000690547_100000210202 [0,1,0,0,0,0|2,0,1]=4 195 B10R1.149 CCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210414 [0,1,0,0,0,0|3,0,0]=4 196 B10R1.149 CCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210414 [0,1,0,0,0,0|3,0,0]=4 197 B10R1.149 CCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210414 [0,1,0,0,0,0|3,0,0]=4 198 B10R1.149 CCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210414 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.149 CCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210414 [0,1,0,0,0,0|3,0,0]=4 200 B10R1.149 CCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210202 [0,1,0,0,0,0|1,0,2]=4 201 B10R1.149 COC(=O)C1SCCN1C 2230a_100015296106_200000210301 [0,1,0,0,0,0|1,0,2]=4 202 B10R1.149 COC(=O)C1SCCN1C 269982a_100015296106_200000210301 [0,1,0,0,0,0|1,0,2]=4 203 B10R1.149 COC(=O)C1SCCN1[13CH3] 2230a_100015296106_200025704644 [0,1,0,0,0,0|1,0,2]=4 204 B10R1.149 COC(=O)C1SCCN1[13CH3] 269982a_100015296106_200025704644 [0,1,0,0,0,0|1,0,2]=4 205 B10R1.411 CCC(=O)C1(CCCC1)C 1458a_100000239728_100000210202 [0,1,0,0,0,0|2,0,1]=4 206 B10R1.411 CCC(=O)C1(CCCC1)O 1458a_100000242637_100000210202 [0,1,0,0,0,0|2,0,1]=4 207 B10R1.411 CCC(=O)C1(CCCO1)C 1458a_100000684770_100000210202 [0,1,0,0,0,0|1,1,1]=4 208 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [0,0,1,0,0,0|2,0,0]=3 209 B8R0.3 CC/C=C(\C)/C(=O)CF 1458a_100016988807_100015361967 [0,0,1,0,0,0|3,0,0]=4 210 B8R0.3 CC/C=C(\C)/C(=O)NC 11a_106832991635_100016988807 [0,0,1,0,0,0|3,0,0]=4 211 B8R0.3 CC/C=C(\C)/C(=O)NC 1626a_100102657272_100016988807 [0,0,1,0,0,0|3,0,0]=4 212 B8R0.3 CC/C=C(\C)/C(=O)NC 240690a_100102657272_100016988807 [0,0,1,0,0,0|3,0,0]=4 213 B8R0.3 CC/C=C(\C)/C(=O)NC 527a_100102657272_100016988807 [0,0,1,0,0,0|3,0,0]=4 214 B8R0.3 CCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210202 [0,0,1,0,0,0|2,0,0]=3 215 B8R0.3 CCC(=O)C(C)SCF 62a_100000742827_100015361967 [0,0,1,0,0,0|2,0,1]=4 216 B8R0.3 CCC(=O)C(C)SCF 62a_100015361967_100000742827 [0,0,1,0,0,0|2,0,1]=4 217 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,0,1,0,0,0|2,1,0]=4 218 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,0,1,0,0,0|2,0,1]=4 219 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,0,1,0,0,0|2,0,1]=4 220 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [0,0,1,0,0,0|3,0,0]=4 221 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [0,0,1,0,0,0|3,0,0]=4 222 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [0,0,1,0,0,0|3,0,0]=4 223 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [0,0,1,0,0,0|3,0,0]=4 224 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,0,1,0,0,0|1,1,1]=4 225 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,0,1,0,0,0|0,1,1]=3 226 B8R0.3 CCNC(=O)C(=O)CF 1458a_200011297158_100015361967 [0,0,1,0,0,0|1,1,1]=4 227 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [0,0,1,0,0,0|1,1,1]=4 228 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [0,0,1,0,0,0|1,1,1]=4 229 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [0,0,1,0,0,0|1,1,1]=4 230 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [0,0,1,0,0,0|1,1,1]=4 231 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [0,0,1,0,0,0|1,1,1]=4 232 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,0,1,0,0,0|1,1,1]=4 233 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,0,1,0,0,0|1,1,1]=4 234 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,0,1,0,0,0|1,1,1]=4 235 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [0,0,1,0,0,0|1,0,2]=4 236 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [0,0,1,0,0,0|2,1,0]=4 237 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [0,0,1,0,0,0|2,1,0]=4 238 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [0,0,1,0,0,0|2,1,0]=4 239 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,0,1,0,0,0|1,1,1]=4 240 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [0,0,1,0,0,0|1,0,1]=3 241 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [0,0,1,0,0,0|1,0,1]=3 242 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [0,0,1,0,0,0|1,0,1]=3 243 B8R0.3 CCSC(C)C(=O)CF 1458a_100000230601_100015361967 [0,0,1,0,0,0|2,0,1]=4 244 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [0,0,1,0,0,0|2,0,1]=4 245 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [0,0,1,0,0,0|2,0,1]=4 246 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [0,0,1,0,0,0|2,0,1]=4 247 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [0,0,1,0,0,0|2,0,1]=4 248 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [0,0,1,0,0,0|2,0,1]=4 249 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [0,0,1,0,0,0|2,0,1]=4 250 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [0,0,1,0,0,0|2,0,1]=4 251 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [0,0,1,0,0,0|2,0,1]=4 252 B8R0.3 CCSC(F)C(=O)NC 62a_100000210202_100009813575 [0,0,1,0,0,0|2,0,1]=4 253 B8R0.3 CCSC(F)C(=O)NC 62a_100009813575_100000210202 [0,0,1,0,0,0|2,0,1]=4 254 B8R0.3 CNC(=O)/C(=N/OC)/C 11a_106832991635_100160996864 [0,0,1,0,0,0|3,0,0]=4 255 B8R0.3 CNC(=O)/C(=N/OC)/C 240690a_100102657272_100160996864 [0,0,1,0,0,0|3,0,0]=4 256 B8R0.3 CO/N=C(\C)/C(=O)CF 1458a_100160996864_100015361967 [0,0,1,0,0,0|3,0,0]=4 257 B8R0.6 C#CCSCC(=O)CC 62a_100000038162_100000747405 [0,0,1,0,0,0|1,0,2]=4 258 B8R0.6 C=CCSCC(=O)CC 1458a_100000230395_100000210202 [0,0,1,0,0,0|1,0,2]=4 259 B8R0.6 C=CCSCC(=O)CC 62a_100000210623_100000747405 [0,0,1,0,0,0|1,0,2]=4 260 B8R0.6 C=CCSCC(=O)CC 62a_100000747405_100000210623 [0,0,1,0,0,0|1,0,2]=4 261 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [0,0,1,0,0,0|3,0,0]=4 262 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [0,0,1,0,0,0|2,0,1]=4 263 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,0,1,0,0,0|1,1,1]=4 264 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,0,1,0,0,0|1,1,1]=4 265 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [0,0,1,0,0,0|1,1,1]=4 266 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [0,0,1,0,0,0|1,1,1]=4 267 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [0,0,1,0,0,0|1,1,1]=4 268 B8R0.6 CCC(=O)CSCC#N 1458a_100000150266_100000210202 [0,0,1,0,0,0|0,0,3]=4 269 B8R0.6 CCC(=O)CSCC#N 62a_100000747405_100011215382 [0,0,1,0,0,0|0,0,3]=4 270 B8R0.6 CCC(=O)CSCC#N 62a_100011215382_100000747405 [0,0,1,0,0,0|0,0,3]=4 271 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [0,0,1,0,0,0|1,0,2]=4 272 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [0,0,1,0,0,0|1,0,2]=4 273 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [0,0,1,0,0,0|1,0,1]=3 274 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [0,0,1,0,0,0|1,0,1]=3 275 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [0,0,1,0,0,0|1,0,1]=3 276 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [0,0,1,0,0,0|1,0,1]=3 277 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [0,0,1,0,0,0|2,0,1]=4 278 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [0,0,1,0,0,0|2,0,1]=4 279 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [0,0,1,0,0,0|2,0,1]=4 280 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [0,0,1,0,0,0|2,0,1]=4 281 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [0,0,1,0,0,0|3,0,0]=4 282 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [0,0,1,0,0,0|3,0,0]=4 283 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [0,0,1,0,0,0|3,0,0]=4 284 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [0,0,1,0,0,0|3,0,0]=4 285 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [0,0,1,0,0,0|2,1,0]=4 286 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [0,0,1,0,0,0|2,1,0]=4 287 B8R0.6 CCC(=O)NNCCO 22a_100000210001_100000210414 [0,0,1,0,0,0|1,1,1]=4 288 B8R0.6 CCC=NNC(=O)CC 4a_100000183195_100000210100 [0,0,1,0,0,0|2,0,1]=4 289 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [0,0,1,0,0,0|2,0,1]=4 290 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,0,1,0,0,0|2,0,0]=3 291 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [0,0,1,0,0,0|3,0,0]=4 292 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [0,0,1,0,0,0|3,0,0]=4 293 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [0,0,1,0,0,0|3,0,0]=4 294 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [0,0,1,0,0,0|3,0,0]=4 295 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,0,1,0,0,0|2,0,1]=4 296 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,0,1,0,0,0|2,0,1]=4 297 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [0,0,1,0,0,0|3,0,0]=4 298 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [0,0,1,0,0,0|3,0,0]=4 299 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [0,0,1,0,0,0|3,0,0]=4 300 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [0,0,1,0,0,0|3,0,0]=4 301 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [0,0,1,0,0,0|2,0,1]=4 302 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,0,1,0,0,0|1,1,1]=4 303 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,0,1,0,0,0|1,1,1]=4 304 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,0,1,0,0,0|1,0,1]=3 305 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,0,1,0,0,0|1,0,1]=3 306 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,0,1,0,0,0|1,0,1]=3 307 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [0,0,1,0,0,0|2,0,1]=4 308 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [0,0,1,0,0,0|2,0,1]=4 309 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [0,0,1,0,0,0|2,0,1]=4 310 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [0,0,1,0,0,0|2,0,1]=4 311 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [0,0,1,0,0,0|2,0,1]=4 312 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [0,0,1,0,0,0|2,0,1]=4 313 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [0,0,1,0,0,0|2,0,1]=4 314 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,0,1,0,0,0|2,0,1]=4 315 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,0,1,0,0,0|2,0,1]=4 316 B8R0.6 CCNN=CC(=O)OC 4a_100000756455_200011823558 [0,0,1,0,0,0|3,0,0]=4 317 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [0,0,1,0,0,0|3,0,0]=4 318 B8R0.6 CNC(=O)CSCCF 62a_100000183359_100011217306 [0,0,1,0,0,0|2,0,1]=4 319 B8R0.6 CNC(=O)CSCCF 62a_100011217306_100000183359 [0,0,1,0,0,0|2,0,1]=4 320 B8R0.6 CNC(=O)CSCCO 62a_100000183359_100000211926 [0,0,1,0,0,0|2,0,1]=4 321 B8R0.6 CNC(=O)CSCCO 62a_100000211926_100000183359 [0,0,1,0,0,0|2,0,1]=4 322 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [0,0,1,0,0,0|2,0,1]=4 323 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [0,0,1,0,0,0|2,0,1]=4 324 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [0,0,1,0,0,0|2,0,1]=4 325 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [0,0,1,0,0,0|2,0,1]=4 326 B8R0.20 CCC(=O)C(CC)CC 1458a_100000210414_100000210505 [0,0,1,0,0,0|2,0,1]=4 327 B8R0.20 CCC(=O)C(CC)CC 1458a_100000211163_100000210202 [0,0,1,0,0,0|2,0,1]=4 328 B8R0.20 CCC(=O)C(CC)OC 1458a_100000747056_100000210202 [0,0,1,0,0,0|1,1,1]=4 329 B8R0.20 CCC(=O)C(CC)OC 34a_200011218131_200000210301 [0,0,1,0,0,0|1,1,1]=4 330 B8R0.20 CCC(=O)C(CC)OC 7a_200011218131_200000210301 [0,0,1,0,0,0|1,1,1]=4 331 B8R0.20 CCC(=O)C(CC)O[13CH3] 34a_200011218131_200025704644 [0,0,1,0,0,0|1,1,1]=4 332 B8R0.20 CCC(=O)C(CC)O[13CH3] 7a_200011218131_200025704644 [0,0,1,0,0,0|1,1,1]=4 333 B8R0.20 CCC(=O)C(OC)OC 1458a_100000046285_100000210202 [0,0,1,0,0,0|1,1,1]=4 334 B8R0.20 CCC(=O)N(CC)CC 11a_100000724800_100000210414 [0,0,1,0,0,0|3,0,0]=4 335 B8R0.20 CCC(=O)N(CC)CC 1626a_100000724800_100000210414 [0,0,1,0,0,0|3,0,0]=4 336 B8R0.20 CCC(=O)N(CC)CC 240690a_100000724800_100000210414 [0,0,1,0,0,0|3,0,0]=4 337 B8R0.20 CCC(=O)N(CC)CC 527a_100000724800_100000210414 [0,0,1,0,0,0|3,0,0]=4 338 B8R0.20 CCC(SC)C(=O)OC 62a_100000235869_200000210301 [0,0,1,0,0,0|2,0,1]=4 339 B8R0.20 CCC(SC)C(=O)OC 62a_200000210301_100000235869 [0,0,1,0,0,0|2,0,1]=4 340 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_100000235869_200025704644 [0,0,1,0,0,0|2,0,1]=4 341 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_200025704644_100000235869 [0,0,1,0,0,0|2,0,1]=4 342 B8R0.20 COC(=O)C(OC)SC 62a_100000101307_200000210301 [0,0,1,0,0,0|2,0,1]=4 343 B8R0.20 COC(=O)C(OC)SC 62a_200000210301_100000101307 [0,0,1,0,0,0|2,0,1]=4 344 B8R0.20 COC(=O)C(OC)S[13CH3] 62a_100000101307_200025704644 [0,0,1,0,0,0|2,0,1]=4 345 B8R0.20 COC(=O)C(OC)S[13CH3] 62a_200025704644_100000101307 [0,0,1,0,0,0|2,0,1]=4 346 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [0,0,0,0,1,0|1,0,1]=3 347 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [0,0,0,0,1,0|1,0,1]=3 348 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [0,0,0,0,1,0|0,1,1]=3 349 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [0,0,0,0,1,0|2,0,1]=4 350 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [0,0,0,0,1,0|2,0,1]=4 351 B8R1.38 CCC(=O)N1CCC1 11a_100000754969_100000210414 [0,0,0,0,1,0|2,0,0]=3 352 B8R1.38 CCC(=O)N1CCC1 240690a_100000754969_100000210414 [0,0,0,0,1,0|2,0,0]=3 353 B8R1.38 CCC(=O)N1CCC1 527a_100000754969_100000210414 [0,0,0,0,1,0|2,0,0]=3 354 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [0,0,0,0,1,0|2,0,1]=4 355 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [0,0,0,0,1,0|2,0,1]=4 356 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [0,0,0,0,1,0|2,0,1]=4 357 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [0,0,0,0,1,0|2,0,1]=4 358 B8R1.38 CNC(=O)C1CCO1 11a_106832991635_100000089072 [0,0,0,0,1,0|1,1,1]=4 359 B8R1.38 CNC(=O)C1CCO1 1626a_100102657272_100000089072 [0,0,0,0,1,0|1,1,1]=4 360 B8R1.38 CNC(=O)C1CCO1 240690a_100102657272_100000089072 [0,0,0,0,1,0|1,1,1]=4 361 B8R1.38 CNC(=O)C1CCO1 527a_100102657272_100000089072 [0,0,0,0,1,0|1,1,1]=4 362 B8R1.38 CNC(=O)N1CCC1 2708a_100102657272_100000754969 [0,0,0,0,1,0|3,0,0]=4 363 B8R1.38 CNC(=O)N1CCC1 273464a_100102657272_100000754969 [0,0,0,0,1,0|3,0,0]=4 364 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [0,0,0,0,1,0|2,0,1]=4 365 B8R1.38 O=C(CF)C1CCO1 1458a_100000089072_100015361967 [0,0,0,0,1,0|1,1,1]=4 366 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [0,0,0,0,1,0|2,0,1]=4 367 B8R1.38 O=C(CO)N1CCC1 240690a_100000754969_100000210174 [0,0,0,0,1,0|3,0,0]=4 368 B8R1.38 O=C(CO)N1CCC1 527a_100000754969_100000210174 [0,0,0,0,1,0|3,0,0]=4 369 B10R1.15 CCC(=O)C1=CCCCC1 1458a_100000765259_100000210202 [0,0,0,0,0,1|2,0,0]=3 370 B10R1.15 CCC(=O)C1=CCCCO1 1458a_100000764163_100000210202 [0,0,0,0,0,1|1,1,0]=3 371 B10R1.15 CCC(=O)C1=COCCC1 1458a_100000749935_100000210202 [0,0,0,0,0,1|1,1,0]=3 372 B10R1.15 CCC(=O)C1=COCCO1 1458a_100000008702_100000210202 [0,0,0,0,0,1|1,1,0]=3 373 B10R1.15 CCC(=O)C1C=CCCC1 1458a_100000210414_100000751183 [0,0,0,0,0,1|2,0,1]=4 374 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [0,0,0,0,0,1|2,0,1]=4 375 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [0,0,0,0,0,1|2,0,1]=4 376 B10R1.15 CCC(=O)C1CCCCO1 1458a_100000748299_100000210202 [0,0,0,0,0,1|1,1,1]=4 377 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000210414_100000693364 [0,0,0,0,0,1|1,1,1]=4 378 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000741522_100000210202 [0,0,0,0,0,1|1,1,1]=4 379 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000195482_100000210202 [0,0,0,0,0,1|2,0,1]=4 380 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000210414_100011324220 [0,0,0,0,0,1|2,0,1]=4 381 B10R1.15 CCC(=O)C1CCSCC1 1458a_100000755232_100000210202 [0,0,0,0,0,1|2,0,1]=4 382 B10R1.15 CCC(=O)C1COCCO1 1458a_100000045528_100000210202 [0,0,0,0,0,1|1,1,1]=4 383 B10R1.15 CCC(=O)C1SCCCS1 1458a_100000028545_100000210202 [0,0,0,0,0,1|1,0,1]=3 384 B10R1.15 CCC(=O)N1CCCOC1 11a_100000131196_100000210414 [0,0,0,0,0,1|2,1,0]=4 385 B10R1.15 CCC(=O)N1CCCOC1 240690a_100000131196_100000210414 [0,0,0,0,0,1|2,1,0]=4 386 B10R1.15 CCC(=O)N1CCOCC1 11a_100015191051_100000210414 [0,0,0,0,0,1|3,0,0]=4 387 B10R1.15 CCC(=O)N1CCOCC1 1626a_100015191051_100000210414 [0,0,0,0,0,1|3,0,0]=4 388 B10R1.15 CCC(=O)N1CCOCC1 240690a_100015191051_100000210414 [0,0,0,0,0,1|3,0,0]=4 389 B10R1.15 CCC(=O)N1CCOCC1 527a_100015191051_100000210414 [0,0,0,0,0,1|3,0,0]=4 390 B10R1.15 CCC(=O)N1CCSCC1 11a_100000737611_100000210414 [0,0,0,0,0,1|3,0,0]=4 391 B10R1.15 CCC(=O)N1CCSCC1 240690a_100000737611_100000210414 [0,0,0,0,0,1|3,0,0]=4 392 B10R1.15 CCC(=O)N1CCSCC1 527a_100000737611_100000210414 [0,0,0,0,0,1|3,0,0]=4 393 B10R1.15 CNC(=O)C1=CCCCC1 11a_106832991635_100000765259 [0,0,0,0,0,1|3,0,0]=4 394 B10R1.15 CNC(=O)C1=CCCCC1 1626a_100102657272_100000765259 [0,0,0,0,0,1|3,0,0]=4 395 B10R1.15 CNC(=O)C1=CCCCC1 240690a_100102657272_100000765259 [0,0,0,0,0,1|3,0,0]=4 396 B10R1.15 CNC(=O)C1=CCCCC1 527a_100102657272_100000765259 [0,0,0,0,0,1|3,0,0]=4 397 B10R1.15 CNC(=O)C1=CCCCO1 11a_106832991635_100000764163 [0,0,0,0,0,1|2,1,0]=4 398 B10R1.15 CNC(=O)C1=CCCCO1 1626a_100102657272_100000764163 [0,0,0,0,0,1|2,1,0]=4 399 B10R1.15 CNC(=O)C1=CCCCO1 240690a_100102657272_100000764163 [0,0,0,0,0,1|2,1,0]=4 400 B10R1.15 CNC(=O)C1=CCCCO1 527a_100102657272_100000764163 [0,0,0,0,0,1|2,1,0]=4 401 B10R1.15 CNC(=O)C1=COCCC1 1626a_100102657272_100000749935 [0,0,0,0,0,1|2,1,0]=4 402 B10R1.15 CNC(=O)C1=COCCC1 527a_100102657272_100000749935 [0,0,0,0,0,1|2,1,0]=4 403 B10R1.15 CNC(=O)C1=COCCO1 11a_106832991635_100000008702 [0,0,0,0,0,1|2,1,0]=4 404 B10R1.15 CNC(=O)C1=COCCO1 1626a_100102657272_100000008702 [0,0,0,0,0,1|2,1,0]=4 405 B10R1.15 CNC(=O)C1=COCCO1 240690a_100102657272_100000008702 [0,0,0,0,0,1|2,1,0]=4 406 B10R1.15 CNC(=O)C1=COCCO1 527a_100102657272_100000008702 [0,0,0,0,0,1|2,1,0]=4 407 B10R1.15 CNC(=O)C1SCCCS1 11a_106832991635_100000028545 [0,0,0,0,0,1|2,0,1]=4 408 B10R1.15 CNC(=O)C1SCCCS1 1626a_100102657272_100000028545 [0,0,0,0,0,1|2,0,1]=4 409 B10R1.15 CNC(=O)C1SCCCS1 240690a_100102657272_100000028545 [0,0,0,0,0,1|2,0,1]=4 410 B10R1.15 CNC(=O)C1SCCCS1 527a_100102657272_100000028545 [0,0,0,0,0,1|2,0,1]=4 411 B10R1.15 O=C(CF)C1=CCCCC1 1458a_100000765259_100015361967 [0,0,0,0,0,1|3,0,0]=4 412 B10R1.15 O=C(CF)C1=CCCCO1 1458a_100000764163_100015361967 [0,0,0,0,0,1|2,1,0]=4 413 B10R1.15 O=C(CF)C1=COCCC1 1458a_100000749935_100015361967 [0,0,0,0,0,1|2,1,0]=4 414 B10R1.15 O=C(CF)C1=COCCO1 1458a_100000008702_100015361967 [0,0,0,0,0,1|2,1,0]=4 415 B10R1.15 O=C(CF)C1SCCCS1 1458a_100000028545_100015361967 [0,0,0,0,0,1|2,0,1]=4 416 B10R1.27 CCC(=O)C=C1CCCC1 1458a_100000743260_100000210202 [0,0,0,0,0,1|2,0,0]=3 417 B10R1.27 CCC(=O)CC1=CCCC1 1458a_100000050221_100000210202 [0,0,0,0,0,1|2,0,0]=3 418 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [0,0,0,0,0,1|2,0,1]=4 419 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [0,0,0,0,0,1|2,0,1]=4 420 B10R1.27 CCC(=O)CC1CCCO1 1458a_100000210414_100000203698 [0,0,0,0,0,1|1,1,1]=4 421 B10R1.27 CCC(=O)CC1OCCO1 1458a_100000210414_100000755774 [0,0,0,0,0,1|1,1,1]=4 422 B10R1.27 CCC(=O)CN1CCCC1 1458a_100000740243_100000210202 [0,0,0,0,0,1|3,0,0]=4 423 B10R1.27 CCC(=O)CN1CCCC1 269982a_100000188435_100000747405 [0,0,0,0,0,1|3,0,0]=4 424 B10R1.27 CCC(=O)Cc1c[nH]cn1 1458a_100000210414_100000707719 [0,0,0,0,0,1|2,0,1]=4 425 B10R1.27 CCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000210202 [0,0,0,0,0,1|2,0,1]=4 426 B10R1.27 CCC(=O)Cc1cccs1 1458a_100000210189_100000210202 [0,0,0,0,0,1|1,0,2]=4 427 B10R1.27 CCC(=O)Cc1ccon1 1458a_100000210414_100000234950 [0,0,0,0,0,1|2,0,1]=4 428 B10R1.27 CCC(=O)Cc1cncs1 1458a_100000210414_100015185245 [0,0,0,0,0,1|2,0,1]=4 429 B10R1.27 CCC(=O)Cc1cscn1 1458a_100000210414_100000205941 [0,0,0,0,0,1|2,0,1]=4 430 B10R1.27 CCC(=O)Cc1cscn1 1458a_100011438297_100000210202 [0,0,0,0,0,1|2,0,1]=4 431 B10R1.27 CCC(=O)Cc1ncco1 1458a_100000210414_103436540062 [0,0,0,0,0,1|0,1,2]=4 432 B10R1.27 CCC(=O)Cc1nccs1 1458a_100000210414_100015184050 [0,0,0,0,0,1|0,0,2]=3 433 B10R1.27 CCC(=O)Cc1nnn[nH]1 1458a_100000210414_100000765167 [0,0,0,0,0,1|3,0,0]=4 434 B10R1.27 CCC(=O)NC1CCCC1 11a_100000211070_100000210414 [0,0,0,0,0,1|2,0,1]=4 435 B10R1.27 CCC(=O)NC1CCCC1 1626a_100000211070_100000210414 [0,0,0,0,0,1|2,0,1]=4 436 B10R1.27 CCC(=O)NC1CCCC1 240690a_100000211070_100000210414 [0,0,0,0,0,1|2,0,1]=4 437 B10R1.27 CCC(=O)NC1CCCC1 527a_100000211070_100000210414 [0,0,0,0,0,1|2,0,1]=4 438 B10R1.27 CCN(C)CC1=NCCN1 269982a_100000225621_100000737910 [0,0,0,0,0,1|3,0,0]=4 439 B10R1.27 CNC(=O)C=C1CCCC1 11a_106832991635_100000743260 [0,0,0,0,0,1|3,0,0]=4 440 B10R1.27 CNC(=O)C=C1CCCC1 1626a_100102657272_100000743260 [0,0,0,0,0,1|3,0,0]=4 441 B10R1.27 CNC(=O)C=C1CCCC1 240690a_100102657272_100000743260 [0,0,0,0,0,1|3,0,0]=4 442 B10R1.27 CNC(=O)C=C1CCCC1 527a_100102657272_100000743260 [0,0,0,0,0,1|3,0,0]=4 443 B10R1.27 CNC(=O)CC1=CCCC1 11a_106832991635_100000050221 [0,0,0,0,0,1|3,0,0]=4 444 B10R1.27 CNC(=O)CC1=CCCC1 1626a_100102657272_100000050221 [0,0,0,0,0,1|3,0,0]=4 445 B10R1.27 CNC(=O)CC1=CCCC1 240690a_100102657272_100000050221 [0,0,0,0,0,1|3,0,0]=4 446 B10R1.27 CNC(=O)CC1=CCCC1 527a_100102657272_100000050221 [0,0,0,0,0,1|3,0,0]=4 447 B10R1.27 O=C(C=C1CCCC1)CF 1458a_100000743260_100015361967 [0,0,0,0,0,1|3,0,0]=4 448 B10R1.27 O=C(CF)CC1=CCCC1 1458a_100000050221_100015361967 [0,0,0,0,0,1|3,0,0]=4 449 B10R1.27 O=C(CO)Cc1nccs1 1458a_100000210174_100015184050 [0,0,0,0,0,1|1,0,2]=4 450 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [1,0,1,0,0,0|1,0,1]=4 451 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [1,0,1,0,0,0|1,0,1]=4 452 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [1,0,1,0,0,0|2,0,0]=4 453 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,0,1,0,0,0|1,0,1]=4 454 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,0,1,0,0,0|0,1,1]=4 455 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [1,0,1,0,0,0|1,0,1]=4 456 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [1,0,1,0,0,0|1,0,1]=4 457 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [1,0,1,0,0,0|1,0,1]=4 458 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [1,0,1,0,0,0|1,0,1]=4 459 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [1,0,1,0,0,0|1,0,1]=4 460 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [1,0,1,0,0,0|1,0,1]=4 461 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [1,0,1,0,0,0|0,1,1]=4 462 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [1,0,1,0,0,0|0,1,1]=4 463 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,0,1,0,0,0|1,0,0]=3 464 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [1,0,1,0,0,0|2,0,0]=4 465 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [1,0,1,0,0,0|2,0,0]=4 466 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [1,0,1,0,0,0|2,0,0]=4 467 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [1,0,1,0,0,0|2,0,0]=4 468 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,0,1,0,0,0|1,0,1]=4 469 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,0,1,0,0,0|1,0,1]=4 470 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,0,1,0,0,0|1,0,1]=4 471 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,0,1,0,0,0|1,0,1]=4 472 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,0,1,0,0,0|1,0,1]=4 473 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,0,1,0,0,0|1,0,1]=4 474 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [1,0,1,0,0,0|1,0,1]=4 475 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,0,1,0,0,0|0,1,1]=4 476 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,0,1,0,0,0|0,1,1]=4 477 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,0,1,0,0,0|0,0,1]=3 478 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,0,1,0,0,0|0,0,1]=3 479 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,0,1,0,0,0|0,0,1]=3 480 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [1,0,1,0,0,0|1,0,1]=4 481 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [1,0,1,0,0,0|1,0,1]=4 482 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [1,0,1,0,0,0|1,0,1]=4 483 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [1,0,1,0,0,0|1,0,1]=4 484 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [1,0,1,0,0,0|1,0,1]=4 485 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [1,0,1,0,0,0|1,0,1]=4 486 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [1,0,1,0,0,0|1,0,1]=4 487 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [1,0,1,0,0,0|1,0,1]=4 488 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [1,0,1,0,0,0|1,0,1]=4 489 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [1,0,1,0,0,0|2,0,0]=4 490 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [1,0,1,0,0,0|2,0,0]=4 491 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [1,0,1,0,0,0|0,1,1]=4 492 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [1,0,1,0,0,0|0,1,1]=4 493 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [1,0,1,0,0,0|1,0,1]=4 494 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [1,0,1,0,0,0|1,0,1]=4 495 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [1,0,1,0,0,0|1,0,1]=4 496 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [1,0,1,0,0,0|1,0,1]=4 497 B7R0.5 CO/N=C(\C)/C(=O)C 1458a_100160996864_200000210301 [1,0,1,0,0,0|2,0,0]=4 498 B7R0.5 CO/N=C(\C)/C(=O)[13CH3] 1458a_100160996864_200025704644 [1,0,1,0,0,0|2,0,0]=4 499 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [1,0,1,0,0,0|1,0,0]=3 500 B7R0.10 C/C=C(\C)/C(=O)CF 1458a_100020587367_100015361967 [1,0,1,0,0,0|2,0,0]=4 501 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [1,0,1,0,0,0|2,0,0]=4 502 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [1,0,1,0,0,0|2,0,0]=4 503 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [1,0,1,0,0,0|0,1,1]=4 504 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [1,0,1,0,0,0|1,0,1]=4 505 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [1,0,1,0,0,0|1,0,1]=4 506 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [1,0,1,0,0,0|0,0,2]=4 507 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [1,0,1,0,0,0|0,0,2]=4 508 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [1,0,1,0,0,0|0,1,1]=4 509 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [1,0,1,0,0,0|0,0,1]=3 510 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [1,0,1,0,0,0|0,0,1]=3 511 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [1,0,1,0,0,0|0,0,1]=3 512 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [1,0,1,0,0,0|0,0,1]=3 513 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [1,0,1,0,0,0|0,0,1]=3 514 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [1,0,1,0,0,0|0,1,1]=4 515 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [1,0,1,0,0,0|2,0,0]=4 516 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [1,0,1,0,0,0|2,0,0]=4 517 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [1,0,1,0,0,0|2,0,0]=4 518 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [1,0,1,0,0,0|2,0,0]=4 519 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [1,0,1,0,0,0|1,0,1]=4 520 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [1,0,1,0,0,0|1,0,1]=4 521 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [1,0,1,0,0,0|1,0,1]=4 522 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [1,0,1,0,0,0|1,0,1]=4 523 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [1,0,1,0,0,0|1,0,1]=4 524 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [1,0,1,0,0,0|1,0,1]=4 525 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [1,0,1,0,0,0|1,0,1]=4 526 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [1,0,1,0,0,0|1,0,1]=4 527 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [1,0,1,0,0,0|1,0,1]=4 528 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [1,0,1,0,0,0|1,0,1]=4 529 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [1,0,1,0,0,0|1,0,1]=4 530 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [1,0,1,0,0,0|1,0,1]=4 531 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [1,0,1,0,0,0|1,0,1]=4 532 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,0,1,0,0,0|2,0,0]=4 533 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,0,1,0,0,0|2,0,0]=4 534 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,0,1,0,0,0|1,0,1]=4 535 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,0,1,0,0,0|1,0,1]=4 536 B9R0.6 CC/C=C(\C)/C(=O)C(C)C 1458a_100016988807_100000210206 [0,1,1,0,0,0|2,0,0]=4 537 B9R0.6 CCNC(=O)C(=O)C(C)C 1458a_200011297158_100000210206 [0,1,1,0,0,0|0,1,1]=4 538 B9R0.6 CCSC(C)C(=O)C(C)C 1458a_100000230601_100000210206 [0,1,1,0,0,0|1,0,1]=4 539 B9R0.6 CCSC(C)C(=O)C(C)C 62a_100000210202_100009893295 [0,1,1,0,0,0|1,0,1]=4 540 B9R0.6 CCSC(C)C(=O)C(C)C 62a_100009893295_100000210202 [0,1,1,0,0,0|1,0,1]=4 541 B9R0.6 CO/N=C(\C)/C(=O)C(C)C 1458a_100160996864_100000210206 [0,1,1,0,0,0|2,0,0]=4 542 B9R0.8 C=C(CSCC)C(=O)OC 62a_100000210202_100009813391 [0,1,1,0,0,0|2,0,0]=4 543 B9R0.8 C=C(CSCC)C(=O)OC 62a_100009813391_100000210202 [0,1,1,0,0,0|2,0,0]=4 544 B9R0.8 CCC(=O)C(C)SCCF 62a_100000742827_100011217306 [0,1,1,0,0,0|1,0,1]=4 545 B9R0.8 CCC(=O)C(C)SCCF 62a_100011217306_100000742827 [0,1,1,0,0,0|1,0,1]=4 546 B9R0.8 CCC(=O)C(C)SCCO 62a_100000211926_100000742827 [0,1,1,0,0,0|1,0,1]=4 547 B9R0.8 CCC(=O)C(C)SCCO 62a_100000742827_100000211926 [0,1,1,0,0,0|1,0,1]=4 548 B9R0.8 CCC(=O)C(C)SCOC 62a_100000742827_100000766300 [0,1,1,0,0,0|1,0,1]=4 549 B9R0.8 CCC(=O)C(C)SCOC 62a_100000766300_100000742827 [0,1,1,0,0,0|1,0,1]=4 550 B9R0.8 CCC(=O)C(C)SCSC 62a_100000742827_100011218213 [0,1,1,0,0,0|1,0,1]=4 551 B9R0.8 CCC(=O)C(C)SCSC 62a_100011218213_100000742827 [0,1,1,0,0,0|1,0,1]=4 552 B9R0.8 CCC/C=C(\C)/C(=O)CC 1458a_200020648666_100000210202 [0,1,1,0,0,0|2,0,0]=4 553 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [0,1,1,0,0,0|0,1,1]=4 554 B9R0.8 CCCSC(C)C(=O)CC 62a_100000210303_100000742827 [0,1,1,0,0,0|1,0,1]=4 555 B9R0.8 CCCSC(C)C(=O)CC 62a_100000742827_100000210303 [0,1,1,0,0,0|1,0,1]=4 556 B9R0.8 CCNN=C(C)C(=O)OC 4a_100000756455_100000211753 [0,1,1,0,0,0|2,0,0]=4 557 B9R0.8 CCSCC(=O)C(=O)OC 62a_100000210202_100011610305 [0,1,1,0,0,0|2,0,0]=4 558 B9R0.8 CCSCC(=O)C(=O)OC 62a_100011610305_100000210202 [0,1,1,0,0,0|2,0,0]=4 559 B9R0.23 CCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210202 [0,1,1,0,0,0|0,1,1]=4 560 B9R0.23 CCC(=O)C(C)SC(C)C 62a_100000210206_100000742827 [0,1,1,0,0,0|1,0,1]=4 561 B9R0.23 CCC(=O)C(C)SC(C)C 62a_100000742827_100000210206 [0,1,1,0,0,0|1,0,1]=4 562 B9R0.35 CC/C=C(\C)/C(=O)CCC 1458a_100016988807_100000210303 [0,1,1,0,0,0|2,0,0]=4 563 B9R0.35 CC/C=C(\C)/C(=O)CCF 1458a_100016988807_100011217306 [0,1,1,0,0,0|2,0,0]=4 564 B9R0.35 CC/C=C(\C)/C(=O)CCO 1458a_100016988807_100000211926 [0,1,1,0,0,0|2,0,0]=4 565 B9R0.35 CC/C=C(\C)/C(=O)NCC 11a_100015525214_100016988807 [0,1,1,0,0,0|2,0,0]=4 566 B9R0.35 CC/C=C(\C)/C(=O)NCC 240690a_100015525214_100016988807 [0,1,1,0,0,0|2,0,0]=4 567 B9R0.35 CC/C=C(\C)/C(=O)NCC 527a_100015525214_100016988807 [0,1,1,0,0,0|2,0,0]=4 568 B9R0.35 CCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210303 [0,1,1,0,0,0|2,0,0]=4 569 B9R0.35 CCCC(=O)C(=O)NCC 1458a_200011297158_100000210303 [0,1,1,0,0,0|0,1,1]=4 570 B9R0.35 CCCC(=O)C(C)SCC 1458a_100000230601_100000210303 [0,1,1,0,0,0|1,0,1]=4 571 B9R0.35 CCNC(=O)/C(=N/OC)/C 11a_100015525214_100160996864 [0,1,1,0,0,0|2,0,0]=4 572 B9R0.35 CCNC(=O)/C(=N/OC)/C 240690a_100015525214_100160996864 [0,1,1,0,0,0|2,0,0]=4 573 B9R0.35 CCNC(=O)C(=O)CCF 1458a_200011297158_100011217306 [0,1,1,0,0,0|0,1,1]=4 574 B9R0.35 CCNC(=O)C(=O)CCO 1458a_200011297158_100000211926 [0,1,1,0,0,0|0,1,1]=4 575 B9R0.35 CCNC(=O)C(=O)NCC 240690a_100015525214_200011297158 [0,1,1,0,0,0|0,1,1]=4 576 B9R0.35 CCNC(=O)C(=O)NCC 527a_100015525214_200011297158 [0,1,1,0,0,0|0,1,1]=4 577 B9R0.35 CCNC(=O)C(=O)OCC 11a_100015525214_100014798877 [0,1,1,0,0,0|0,1,1]=4 578 B9R0.35 CCNC(=O)C(=O)OCC 240690a_100015525214_100014798877 [0,1,1,0,0,0|0,1,1]=4 579 B9R0.35 CCNC(=O)C(C)SCC 11a_100015525214_100000230601 [0,1,1,0,0,0|1,0,1]=4 580 B9R0.35 CCNC(=O)C(C)SCC 240690a_100015525214_100000230601 [0,1,1,0,0,0|1,0,1]=4 581 B9R0.35 CCNC(=O)C(C)SCC 527a_100015525214_100000230601 [0,1,1,0,0,0|1,0,1]=4 582 B9R0.35 CCNC(=O)C(C)SCC 62a_100000210202_100000230173 [0,1,1,0,0,0|1,0,1]=4 583 B9R0.35 CCNC(=O)C(C)SCC 62a_100000230173_100000210202 [0,1,1,0,0,0|1,0,1]=4 584 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [0,1,1,0,0,0|1,1,0]=4 585 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [0,1,1,0,0,0|1,1,0]=4 586 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [0,1,1,0,0,0|1,1,0]=4 587 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [0,1,1,0,0,0|1,1,0]=4 588 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [0,1,1,0,0,0|1,0,1]=4 589 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [0,1,1,0,0,0|1,0,1]=4 590 B9R0.35 CCOC(=O)C(F)SCC 62a_100000210202_100000760018 [0,1,1,0,0,0|1,0,1]=4 591 B9R0.35 CCOC(=O)C(F)SCC 62a_100000760018_100000210202 [0,1,1,0,0,0|1,0,1]=4 592 B9R0.35 CCSC(C)C(=O)CCF 1458a_100000230601_100011217306 [0,1,1,0,0,0|1,0,1]=4 593 B9R0.35 CCSC(C)C(=O)CCO 1458a_100000230601_100000211926 [0,1,1,0,0,0|1,0,1]=4 594 B9R0.35 CO/N=C(\C)/C(=O)CCF 1458a_100160996864_100011217306 [0,1,1,0,0,0|2,0,0]=4 595 B9R0.35 CO/N=C(\C)/C(=O)CCO 1458a_100160996864_100000211926 [0,1,1,0,0,0|2,0,0]=4 596 B9R0.1 CCC(=O)CSCC(C)C 62a_100000210624_100000747405 [0,1,1,0,0,0|1,0,1]=4 597 B9R0.1 CCC(=O)CSCC(C)C 62a_100000747405_100000210760 [0,1,1,0,0,0|1,0,1]=4 598 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [0,1,1,0,0,0|1,0,1]=4 599 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [0,1,1,0,0,0|1,0,1]=4 600 B9R0.1 CCC(=O)CSCC(F)F 62a_100000747405_100011934356 [0,1,1,0,0,0|1,0,1]=4 601 B9R0.1 CCC(=O)CSCC(F)F 62a_100011934356_100000747405 [0,1,1,0,0,0|1,0,1]=4 602 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [0,1,1,0,0,0|1,0,1]=4 603 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [0,1,1,0,0,0|1,0,1]=4 604 B9R0.5 CCCC(=O)CSCCF 62a_100000747444_100011217306 [0,1,1,0,0,0|1,0,1]=4 605 B9R0.5 CCCC(=O)CSCCF 62a_100011217306_100000747444 [0,1,1,0,0,0|1,0,1]=4 606 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [0,1,1,0,0,0|1,0,1]=4 607 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [0,1,1,0,0,0|1,0,1]=4 608 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [0,1,1,0,0,0|2,0,0]=4 609 B9R0.5 CCCC=CC(=O)CCF 1458a_100000212230_100011217306 [0,1,1,0,0,0|2,0,0]=4 610 B9R0.5 CCCC=CC(=O)CCO 1458a_100000212230_100000211926 [0,1,1,0,0,0|2,0,0]=4 611 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [0,1,1,0,0,0|2,0,0]=4 612 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [0,1,1,0,0,0|2,0,0]=4 613 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [0,1,1,0,0,0|1,0,1]=4 614 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [0,1,1,0,0,0|1,0,1]=4 615 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [0,1,1,0,0,0|1,0,1]=4 616 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [0,1,1,0,0,0|1,0,1]=4 617 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [0,1,1,0,0,0|1,0,1]=4 618 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [0,1,1,0,0,0|1,0,1]=4 619 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [0,1,1,0,0,0|1,0,1]=4 620 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [0,1,1,0,0,0|1,0,1]=4 621 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [0,1,1,0,0,0|1,0,1]=4 622 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [0,1,1,0,0,0|1,0,1]=4 623 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [0,1,1,0,0,0|1,0,1]=4 624 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [0,1,1,0,0,0|1,0,1]=4 625 B9R0.5 CCNC(=O)CSCCF 62a_100000183381_100011217306 [0,1,1,0,0,0|1,0,1]=4 626 B9R0.5 CCNC(=O)CSCCF 62a_100011217306_100000183381 [0,1,1,0,0,0|1,0,1]=4 627 B9R0.5 CCNC(=O)CSCCO 62a_100000183381_100000211926 [0,1,1,0,0,0|1,0,1]=4 628 B9R0.5 CCNC(=O)CSCCO 62a_100000211926_100000183381 [0,1,1,0,0,0|1,0,1]=4 629 B9R0.5 CCNN=CC(=O)OCC 4a_100000756455_100000742314 [0,1,1,0,0,0|2,0,0]=4 630 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [0,1,1,0,0,0|1,0,1]=4 631 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [0,1,1,0,0,0|1,0,1]=4 632 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [0,1,1,0,0,0|1,0,1]=4 633 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [0,1,1,0,0,0|1,0,1]=4 634 B9R0.24 CCC(=O)CSC(C)CC 62a_100000747405_100000758301 [0,1,1,0,0,0|1,0,1]=4 635 B9R0.24 CCC(=O)CSC(C)CC 62a_100000758301_100000747405 [0,1,1,0,0,0|1,0,1]=4 636 B9R0.24 CCC(=O)CSC(C)CO 62a_100012180447_100000747405 [0,1,1,0,0,0|1,0,1]=4 637 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100000747405_100016084084 [0,1,1,0,0,0|1,0,1]=4 638 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100016084084_100000747405 [0,1,1,0,0,0|1,0,1]=4 639 B9R0.34 CCCC(=CC(=O)CC)C 1458a_100020676950_100000210202 [0,1,1,0,0,0|2,0,0]=4 640 B9R0.46 C#CCCSCC(=O)CC 62a_100000688953_100000747405 [0,1,1,0,0,0|1,0,1]=4 641 B9R0.46 C#CCCSCC(=O)CC 62a_100000747405_100000688953 [0,1,1,0,0,0|1,0,1]=4 642 B9R0.46 C=CCCSCC(=O)CC 62a_100000747405_100000754431 [0,1,1,0,0,0|1,0,1]=4 643 B9R0.46 C=CCCSCC(=O)CC 62a_100000754431_100000747405 [0,1,1,0,0,0|1,0,1]=4 644 B9R0.46 CCC(=O)COCCSC 34a_100000725409_100000212216 [0,1,1,0,0,0|1,0,1]=4 645 B9R0.46 CCC(=O)COCCSC 7a_100000230434_100000747405 [0,1,1,0,0,0|1,0,1]=4 646 B9R0.46 CCC(=O)CSCCC#N 62a_100000747405_100011215226 [0,1,1,0,0,0|0,0,2]=4 647 B9R0.46 CCC(=O)CSCCC#N 62a_100011215226_100000747405 [0,1,1,0,0,0|0,0,2]=4 648 B9R0.46 CCC(=O)CSCCCF 62a_100000747405_100011934791 [0,1,1,0,0,0|1,0,1]=4 649 B9R0.46 CCC(=O)CSCCCF 62a_100011934791_100000747405 [0,1,1,0,0,0|1,0,1]=4 650 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [0,1,1,0,0,0|1,0,1]=4 651 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [0,1,1,0,0,0|1,0,1]=4 652 B9R0.46 CCC(=O)CSCCOC 62a_100000233755_100000747405 [0,1,1,0,0,0|1,0,1]=4 653 B9R0.46 CCC(=O)CSCCOC 62a_100000747405_100000233755 [0,1,1,0,0,0|1,0,1]=4 654 B9R0.46 CCC(=O)CSCCSC 62a_100000212216_100000747405 [0,1,1,0,0,0|1,0,1]=4 655 B9R0.46 CCC(=O)CSCCSC 62a_100000747405_100000751147 [0,1,1,0,0,0|1,0,1]=4 656 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [0,1,1,0,0,0|2,0,0]=4 657 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [0,1,1,0,0,0|2,0,0]=4 658 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [0,1,1,0,0,0|2,0,0]=4 659 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [0,1,1,0,0,0|2,0,0]=4 660 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [0,1,1,0,0,0|2,0,0]=4 661 B9R0.46 CCCC=NNC(=O)CC 4a_100000183195_100000185831 [0,1,1,0,0,0|2,0,0]=4 662 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [0,1,1,0,0,0|2,0,0]=4 663 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [0,1,1,0,0,0|1,0,1]=4 664 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [0,1,1,0,0,0|1,0,1]=4 665 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [0,1,1,0,0,0|1,0,1]=4 666 B9R0.46 CCCNN=CC(=O)OC 4a_100000740057_200011823558 [0,1,1,0,0,0|2,0,0]=4 667 B9R0.46 CCOCSCC(=O)CC 62a_100000739092_100000747405 [0,1,1,0,0,0|1,0,1]=4 668 B9R0.46 CCOCSCC(=O)CC 62a_100000747405_100000739092 [0,1,1,0,0,0|1,0,1]=4 669 B9R0.46 COC(=O)C=NNCCO 4a_100000210001_200011823558 [0,1,1,0,0,0|1,1,0]=4 670 B9R0.47 CC(C)C(=O)CSCCF 62a_100000753385_100011217306 [0,1,1,0,0,0|1,0,1]=4 671 B9R0.47 CC(C)C(=O)CSCCF 62a_100011217306_100000753385 [0,1,1,0,0,0|1,0,1]=4 672 B9R0.47 CC(C)C(=O)CSCCO 62a_100000211926_100000753385 [0,1,1,0,0,0|1,0,1]=4 673 B9R0.47 CC(C)C(=O)CSCCO 62a_100000753385_100000211926 [0,1,1,0,0,0|1,0,1]=4 674 B9R0.47 CCCC=CC(=O)C(C)C 1458a_100000212230_100000210206 [0,1,1,0,0,0|2,0,0]=4 675 B9R0.47 CCCSCC(=O)C(C)C 1458a_100000217233_100000210206 [0,1,1,0,0,0|1,0,1]=4 676 B9R0.47 CCCSCC(=O)C(C)C 62a_100000210303_100000753385 [0,1,1,0,0,0|1,0,1]=4 677 B9R0.47 CCCSCC(=O)C(C)C 62a_100000753385_100000210303 [0,1,1,0,0,0|1,0,1]=4 678 B9R1.35 CC(=O)c1nc(cs1)O 271570a_203496583355_100010231720 [1,1,0,0,0,0|0,0,2]=4 679 B9R1.35 CC(=O)c1ncc(s1)O 271570a_203496583355_100000693680 [1,1,0,0,0,0|0,0,2]=4 680 B9R1.12 CCOCC1=NCCN1 34a_100121572206_100000737910 [1,1,0,0,0,0|1,0,1]=4 681 B9R1.12 CCSCC1=NCCN1 62a_100000210202_100000737910 [1,1,0,0,0,0|1,0,1]=4 682 B9R1.12 CCSCC1=NCCN1 62a_100000737910_100000210202 [1,1,0,0,0,0|1,0,1]=4 683 B9R1.73 CCCC(=O)C1CCC1 1458a_100000209988_100000210303 [0,1,0,0,1,0|1,0,1]=4 684 B9R1.73 CCCC(=O)C1CCC1 1458a_100000211992_100000749161 [0,1,0,0,1,0|1,0,1]=4 685 B9R1.73 CCCC(=O)C1CCO1 1458a_100000089072_100000210303 [0,1,0,0,1,0|0,1,1]=4 686 B9R1.73 CCCC(=O)N1CCC1 11a_100000754969_100000211992 [0,1,0,0,1,0|2,0,0]=4 687 B9R1.73 CCCC(=O)N1CCC1 240690a_100000754969_100000211992 [0,1,0,0,1,0|2,0,0]=4 688 B9R1.73 CCCC(=O)N1CCC1 527a_100000754969_100000211992 [0,1,0,0,1,0|2,0,0]=4 689 B9R1.73 CCNC(=O)C1CCC1 11a_100015525214_100000209988 [0,1,0,0,1,0|1,0,1]=4 690 B9R1.73 CCNC(=O)C1CCC1 240690a_100015525214_100000209988 [0,1,0,0,1,0|1,0,1]=4 691 B9R1.73 CCNC(=O)C1CCC1 527a_100015525214_100000209988 [0,1,0,0,1,0|1,0,1]=4 692 B9R1.73 CCNC(=O)C1CCO1 11a_100015525214_100000089072 [0,1,0,0,1,0|0,1,1]=4 693 B9R1.73 CCNC(=O)C1CCO1 240690a_100015525214_100000089072 [0,1,0,0,1,0|0,1,1]=4 694 B9R1.73 CCNC(=O)C1CCO1 527a_100015525214_100000089072 [0,1,0,0,1,0|0,1,1]=4 695 B9R1.73 CCNC(=O)N1CCC1 2708a_100015525214_100000754969 [0,1,0,0,1,0|2,0,0]=4 696 B9R1.73 CCNC(=O)N1CCC1 273464a_100015525214_100000754969 [0,1,0,0,1,0|2,0,0]=4 697 B9R1.73 CNCC(=O)C1CCC1 2230a_106832991635_100000686122 [0,1,0,0,1,0|1,0,1]=4 698 B9R1.73 CNCC(=O)C1CCC1 34a_100102657272_100000686122 [0,1,0,0,1,0|1,0,1]=4 699 B9R1.73 CNCC(=O)C1CCC1 7a_106832991635_100000686122 [0,1,0,0,1,0|1,0,1]=4 700 B9R1.73 CNCC(=O)N1CCC1 2230a_106832991635_100000185095 [0,1,0,0,1,0|2,0,0]=4 701 B9R1.73 CNCC(=O)N1CCC1 34a_100102657272_100000185095 [0,1,0,0,1,0|2,0,0]=4 702 B9R1.73 CNCC(=O)N1CCC1 7a_106832991635_100000185095 [0,1,0,0,1,0|2,0,0]=4 703 B9R1.73 COCC(=O)C1CCC1 1458a_100000210968_100000749161 [0,1,0,0,1,0|1,0,1]=4 704 B9R1.73 COCC(=O)C1CCC1 34a_100138415774_100000686122 [0,1,0,0,1,0|1,0,1]=4 705 B9R1.73 COCC(=O)N1CCC1 11a_100000754969_100000210968 [0,1,0,0,1,0|2,0,0]=4 706 B9R1.73 COCC(=O)N1CCC1 240690a_100000754969_100000210968 [0,1,0,0,1,0|2,0,0]=4 707 B9R1.73 COCC(=O)N1CCC1 34a_100138415774_100000185095 [0,1,0,0,1,0|2,0,0]=4 708 B9R1.73 COCC(=O)N1CCC1 527a_100000754969_100000210968 [0,1,0,0,1,0|2,0,0]=4 709 B9R1.73 CSCC(=O)C1CCC1 1458a_100000184570_100000749161 [0,1,0,0,1,0|1,0,1]=4 710 B9R1.73 CSCC(=O)C1CCC1 62a_100000686122_200000210301 [0,1,0,0,1,0|1,0,1]=4 711 B9R1.73 CSCC(=O)C1CCC1 62a_200000210301_100000686122 [0,1,0,0,1,0|1,0,1]=4 712 B9R1.73 CSCC(=O)N1CCC1 11a_100000754969_100000184570 [0,1,0,0,1,0|2,0,0]=4 713 B9R1.73 CSCC(=O)N1CCC1 240690a_100000754969_100000184570 [0,1,0,0,1,0|2,0,0]=4 714 B9R1.73 CSCC(=O)N1CCC1 527a_100000754969_100000184570 [0,1,0,0,1,0|2,0,0]=4 715 B9R1.73 CSCC(=O)N1CCC1 62a_100000185095_200000210301 [0,1,0,0,1,0|2,0,0]=4 716 B9R1.73 CSCC(=O)N1CCC1 62a_200000210301_100000185095 [0,1,0,0,1,0|2,0,0]=4 717 B9R1.73 O=C(CCF)C1CCC1 1458a_100000209988_100011217306 [0,1,0,0,1,0|1,0,1]=4 718 B9R1.73 O=C(CCF)C1CCO1 1458a_100000089072_100011217306 [0,1,0,0,1,0|0,1,1]=4 719 B9R1.73 O=C(CCO)C1CCC1 1458a_100000209988_100000211926 [0,1,0,0,1,0|1,0,1]=4 720 B9R1.73 O=C(CCO)C1CCC1 1458a_100011216618_100000749161 [0,1,0,0,1,0|1,0,1]=4 721 B9R1.73 O=C(CCO)C1CCO1 1458a_100000089072_100000211926 [0,1,0,0,1,0|0,1,1]=4 722 B9R1.73 O=C(CCO)N1CCC1 240690a_100000754969_100011216618 [0,1,0,0,1,0|2,0,0]=4 723 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_100000686122_200025704644 [0,1,0,0,1,0|1,0,1]=4 724 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_200025704644_100000686122 [0,1,0,0,1,0|1,0,1]=4 725 B9R1.73 [13CH3]SCC(=O)N1CCC1 62a_100000185095_200025704644 [0,1,0,0,1,0|2,0,0]=4 726 B9R1.73 [13CH3]SCC(=O)N1CCC1 62a_200025704644_100000185095 [0,1,0,0,1,0|2,0,0]=4 727 B9R1.81 CCC(=O)C1CCC1=O 1458a_100000210414_100009892977 [0,1,0,0,1,0|1,0,1]=4 728 B9R1.81 CCC(=O)N1CCC1C 11a_100000755817_100000210414 [0,1,0,0,1,0|2,0,0]=4 729 B9R1.81 CCC(=O)N1CCC1C 240690a_100000755817_100000210414 [0,1,0,0,1,0|2,0,0]=4 730 B9R1.81 CCC(=O)N1CCC1C 527a_100000755817_100000210414 [0,1,0,0,1,0|2,0,0]=4 731 B9R1.82 CCC(=O)C1CC(C1)C 1458a_100000686124_100000210202 [0,1,0,0,1,0|1,0,1]=4 732 B9R1.82 CCC(=O)C1CC(C1)F 1458a_100000062598_100000210202 [0,1,0,0,1,0|1,0,1]=4 733 B9R1.82 CCC(=O)N1CC(C1)C 11a_100000702820_100000210414 [0,1,0,0,1,0|2,0,0]=4 734 B9R1.82 CCC(=O)N1CC(C1)C 240690a_100000702820_100000210414 [0,1,0,0,1,0|2,0,0]=4 735 B9R1.82 CCC(=O)N1CC(C1)C 527a_100000702820_100000210414 [0,1,0,0,1,0|2,0,0]=4 736 B9R1.82 CCC(=O)N1CC(C1)F 11a_100000690557_100000210414 [0,1,0,0,1,0|2,0,0]=4 737 B9R1.82 CCC(=O)N1CC(C1)F 240690a_100000690557_100000210414 [0,1,0,0,1,0|2,0,0]=4 738 B9R1.82 CCC(=O)N1CC(C1)F 527a_100000690557_100000210414 [0,1,0,0,1,0|2,0,0]=4 739 B9R1.82 CCC(=O)N1CC(C1)O 11a_100000749847_100000210414 [0,1,0,0,1,0|2,0,0]=4 740 B9R1.82 CCC(=O)N1CC(C1)O 240690a_100000749847_100000210414 [0,1,0,0,1,0|2,0,0]=4 741 B9R1.82 CCC(=O)N1CC(C1)O 527a_100000749847_100000210414 [0,1,0,0,1,0|2,0,0]=4 742 B9R1.82 CCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210202 [0,1,0,0,1,0|1,0,1]=4 743 B9R1.110 CC(C)C(=O)C1CCC1 1458a_100000209988_100000210206 [0,1,0,0,1,0|1,0,1]=4 744 B9R1.110 CC(C)C(=O)C1CCC1 1458a_100000210198_100000749161 [0,1,0,0,1,0|1,0,1]=4 745 B9R1.110 CC(C)C(=O)C1CCO1 1458a_100000089072_100000210206 [0,1,0,0,1,0|0,1,1]=4 746 B9R1.110 CC(C)C(=O)N1CCC1 11a_100000754969_100000210198 [0,1,0,0,1,0|2,0,0]=4 747 B9R1.110 CC(C)C(=O)N1CCC1 240690a_100000754969_100000210198 [0,1,0,0,1,0|2,0,0]=4 748 B9R1.110 CC(C)C(=O)N1CCC1 527a_100000754969_100000210198 [0,1,0,0,1,0|2,0,0]=4 749 B9R1.110 CC(F)C(=O)C1CCC1 1458a_100000062450_100000749161 [0,1,0,0,1,0|1,0,1]=4 750 B9R1.110 CC(F)C(=O)N1CCC1 11a_100000754969_100000062450 [0,1,0,0,1,0|2,0,0]=4 751 B9R1.110 CC(F)C(=O)N1CCC1 240690a_100000754969_100000062450 [0,1,0,0,1,0|2,0,0]=4 752 B9R1.110 CC(F)C(=O)N1CCC1 527a_100000754969_100000062450 [0,1,0,0,1,0|2,0,0]=4 753 B9R1.110 C[C@@H](O)C(=O)C1CCC1 1458a_100000717761_100000749161 [0,1,0,0,1,0|1,0,1]=4 754 B9R1.110 C[C@@H](O)C(=O)N1CCC1 240690a_100000754969_100000717761 [0,1,0,0,1,0|2,0,0]=4 755 B9R1.110 C[C@H](O)C(=O)C1CCC1 1458a_217856618621_100000749161 [0,1,0,0,1,0|1,0,1]=4 756 B9R1.110 C[C@H](O)C(=O)N1CCC1 240690a_100000754969_217856618621 [0,1,0,0,1,0|2,0,0]=4 757 B9R1.186 CCC(=O)C1(CCC1)C 1458a_100000684636_100000210202 [0,1,0,0,1,0|1,0,1]=4 758 B9R1.186 CCC(=O)C1(CCC1)O 1458a_100000242746_100000210202 [0,1,0,0,1,0|1,0,1]=4 759 B11R1.16 CCCC(=O)C1=CCCCC1 1458a_100000765259_100000210303 [0,1,0,0,0,1|2,0,0]=4 760 B11R1.16 CCCC(=O)C1=CCCCO1 1458a_100000764163_100000210303 [0,1,0,0,0,1|1,1,0]=4 761 B11R1.16 CCCC(=O)C1=COCCC1 1458a_100000749935_100000210303 [0,1,0,0,0,1|1,1,0]=4 762 B11R1.16 CCCC(=O)C1=COCCO1 1458a_100000008702_100000210303 [0,1,0,0,0,1|1,1,0]=4 763 B11R1.16 CCCC(=O)C1SCCCS1 1458a_100000028545_100000210303 [0,1,0,0,0,1|1,0,1]=4 764 B11R1.16 CCNC(=O)C1=CCCCC1 11a_100015525214_100000765259 [0,1,0,0,0,1|2,0,0]=4 765 B11R1.16 CCNC(=O)C1=CCCCC1 240690a_100015525214_100000765259 [0,1,0,0,0,1|2,0,0]=4 766 B11R1.16 CCNC(=O)C1=CCCCC1 527a_100015525214_100000765259 [0,1,0,0,0,1|2,0,0]=4 767 B11R1.16 CCNC(=O)C1=CCCCO1 11a_100015525214_100000764163 [0,1,0,0,0,1|1,1,0]=4 768 B11R1.16 CCNC(=O)C1=CCCCO1 240690a_100015525214_100000764163 [0,1,0,0,0,1|1,1,0]=4 769 B11R1.16 CCNC(=O)C1=CCCCO1 527a_100015525214_100000764163 [0,1,0,0,0,1|1,1,0]=4 770 B11R1.16 CCNC(=O)C1=COCCC1 527a_100015525214_100000749935 [0,1,0,0,0,1|1,1,0]=4 771 B11R1.16 CCNC(=O)C1=COCCO1 11a_100015525214_100000008702 [0,1,0,0,0,1|1,1,0]=4 772 B11R1.16 CCNC(=O)C1=COCCO1 240690a_100015525214_100000008702 [0,1,0,0,0,1|1,1,0]=4 773 B11R1.16 CCNC(=O)C1=COCCO1 527a_100015525214_100000008702 [0,1,0,0,0,1|1,1,0]=4 774 B11R1.16 CCNC(=O)C1SCCCS1 11a_100015525214_100000028545 [0,1,0,0,0,1|1,0,1]=4 775 B11R1.16 CCNC(=O)C1SCCCS1 240690a_100015525214_100000028545 [0,1,0,0,0,1|1,0,1]=4 776 B11R1.16 CCNC(=O)C1SCCCS1 527a_100015525214_100000028545 [0,1,0,0,0,1|1,0,1]=4 777 B11R1.16 O=C(CCF)C1=CCCCC1 1458a_100000765259_100011217306 [0,1,0,0,0,1|2,0,0]=4 778 B11R1.16 O=C(CCF)C1=CCCCO1 1458a_100000764163_100011217306 [0,1,0,0,0,1|1,1,0]=4 779 B11R1.16 O=C(CCF)C1=COCCC1 1458a_100000749935_100011217306 [0,1,0,0,0,1|1,1,0]=4 780 B11R1.16 O=C(CCF)C1=COCCO1 1458a_100000008702_100011217306 [0,1,0,0,0,1|1,1,0]=4 781 B11R1.16 O=C(CCF)C1SCCCS1 1458a_100000028545_100011217306 [0,1,0,0,0,1|1,0,1]=4 782 B11R1.16 O=C(CCO)C1=CCCCC1 1458a_100000765259_100000211926 [0,1,0,0,0,1|2,0,0]=4 783 B11R1.16 O=C(CCO)C1=CCCCO1 1458a_100000764163_100000211926 [0,1,0,0,0,1|1,1,0]=4 784 B11R1.16 O=C(CCO)C1=COCCC1 1458a_100000749935_100000211926 [0,1,0,0,0,1|1,1,0]=4 785 B11R1.16 O=C(CCO)C1=COCCO1 1458a_100000008702_100000211926 [0,1,0,0,0,1|1,1,0]=4 786 B11R1.16 O=C(CCO)C1SCCCS1 1458a_100000028545_100000211926 [0,1,0,0,0,1|1,0,1]=4 787 B11R1.22 CCC(=O)C1=NNC(=O)CC1 1458a_100000183032_100000210202 [0,1,0,0,0,1|1,0,1]=4 788 B11R1.36 CC(C)C(=O)C1=CCCCC1 1458a_100000765259_100000210206 [0,1,0,0,0,1|2,0,0]=4 789 B11R1.36 CC(C)C(=O)C1=CCCCO1 1458a_100000764163_100000210206 [0,1,0,0,0,1|1,1,0]=4 790 B11R1.36 CC(C)C(=O)C1=COCCC1 1458a_100000749935_100000210206 [0,1,0,0,0,1|1,1,0]=4 791 B11R1.36 CC(C)C(=O)C1=COCCO1 1458a_100000008702_100000210206 [0,1,0,0,0,1|1,1,0]=4 792 B11R1.36 CC(C)C(=O)C1SCCCS1 1458a_100000028545_100000210206 [0,1,0,0,0,1|1,0,1]=4 793 B11R1.222 CCC(=O)C1=C(OCCO1)C 1458a_100000068647_100000210202 [0,1,0,0,0,1|1,1,0]=4 794 B11R1.222 CNC(=O)C1=C(OCCS1)C 11a_106832991635_100000022711 [0,1,0,0,0,1|2,0,0]=4 795 B11R1.222 CNC(=O)C1=C(OCCS1)C 1626a_100102657272_100000022711 [0,1,0,0,0,1|2,0,0]=4 796 B11R1.222 CNC(=O)C1=C(OCCS1)C 527a_100102657272_100000022711 [0,1,0,0,0,1|2,0,0]=4 797 B11R1.30 CCCC(=O)C=C1CCCC1 1458a_100000743260_100000210303 [0,1,0,0,0,1|2,0,0]=4 798 B11R1.30 CCCC(=O)CC1=CCCC1 1458a_100000050221_100000210303 [0,1,0,0,0,1|2,0,0]=4 799 B11R1.30 CCCC(=O)Cc1nccs1 1458a_100000211992_100015184050 [0,1,0,0,0,1|0,0,2]=4 800 B11R1.30 CCNC(=O)C=C1CCCC1 11a_100015525214_100000743260 [0,1,0,0,0,1|2,0,0]=4 801 B11R1.30 CCNC(=O)C=C1CCCC1 240690a_100015525214_100000743260 [0,1,0,0,0,1|2,0,0]=4 802 B11R1.30 CCNC(=O)C=C1CCCC1 527a_100015525214_100000743260 [0,1,0,0,0,1|2,0,0]=4 803 B11R1.30 CCNC(=O)CC1=CCCC1 11a_100015525214_100000050221 [0,1,0,0,0,1|2,0,0]=4 804 B11R1.30 CCNC(=O)CC1=CCCC1 240690a_100015525214_100000050221 [0,1,0,0,0,1|2,0,0]=4 805 B11R1.30 CCNC(=O)CC1=CCCC1 527a_100015525214_100000050221 [0,1,0,0,0,1|2,0,0]=4 806 B11R1.30 CNCC(=O)Nc1nccs1 2230a_106832991635_100000183294 [0,1,0,0,0,1|0,0,2]=4 807 B11R1.30 CNCC(=O)Nc1nccs1 7a_106832991635_100000183294 [0,1,0,0,0,1|0,0,2]=4 808 B11R1.30 CNCC(=O)Nc1nncs1 2230a_106832991635_100000184940 [0,1,0,0,0,1|1,0,1]=4 809 B11R1.30 CNCC(=O)Nc1nncs1 7a_106832991635_100000184940 [0,1,0,0,0,1|1,0,1]=4 810 B11R1.30 COCC(=O)Cc1nccs1 1458a_100000210968_100015184050 [0,1,0,0,0,1|0,0,2]=4 811 B11R1.30 CSCC(=O)Cc1nccs1 1458a_100000184570_100015184050 [0,1,0,0,0,1|0,0,2]=4 812 B11R1.30 CSCC(=O)NC1=NCCS1 62a_200000210301_200000080056 [0,1,0,0,0,1|0,0,0]=2 813 B11R1.30 CSCC(=O)Nc1nccs1 62a_100000183294_200000210301 [0,1,0,0,0,1|0,0,2]=4 814 B11R1.30 CSCC(=O)Nc1nccs1 62a_200000210301_100000183294 [0,1,0,0,0,1|0,0,2]=4 815 B11R1.30 CSCC(=O)Nc1nncs1 62a_200000210301_100000184940 [0,1,0,0,0,1|1,0,1]=4 816 B11R1.30 O=C(C=C1CCCC1)CCF 1458a_100000743260_100011217306 [0,1,0,0,0,1|2,0,0]=4 817 B11R1.30 O=C(C=C1CCCC1)CCO 1458a_100000743260_100000211926 [0,1,0,0,0,1|2,0,0]=4 818 B11R1.30 O=C(CCF)CC1=CCCC1 1458a_100000050221_100011217306 [0,1,0,0,0,1|2,0,0]=4 819 B11R1.30 O=C(CCO)CC1=CCCC1 1458a_100000050221_100000211926 [0,1,0,0,0,1|2,0,0]=4 820 B11R1.30 O=C(CCO)Cc1nccs1 1458a_100011216618_100015184050 [0,1,0,0,0,1|0,0,2]=4 821 B11R1.30 [13CH3]SCC(=O)NC1=NCCS1 62a_200025704644_200000080056 [0,1,0,0,0,1|0,0,0]=2 822 B11R1.30 [13CH3]SCC(=O)Nc1nccs1 62a_100000183294_200025704644 [0,1,0,0,0,1|0,0,2]=4 823 B11R1.30 [13CH3]SCC(=O)Nc1nccs1 62a_200025704644_100000183294 [0,1,0,0,0,1|0,0,2]=4 824 B11R1.30 [13CH3]SCC(=O)Nc1nncs1 62a_200025704644_100000184940 [0,1,0,0,0,1|1,0,1]=4 825 B11R1.35 CC(C)C(=O)C=C1CCCC1 1458a_100000743260_100000210206 [0,1,0,0,0,1|2,0,0]=4 826 B11R1.35 CC(C)C(=O)CC1=CCCC1 1458a_100000050221_100000210206 [0,1,0,0,0,1|2,0,0]=4 827 B11R1.35 CC(C)C(=O)Cc1nccs1 1458a_100000210198_100015184050 [0,1,0,0,0,1|0,0,2]=4 828 B11R1.35 CC(F)C(=O)Cc1nccs1 1458a_100000062450_100015184050 [0,1,0,0,0,1|0,0,2]=4 829 B11R1.35 C[C@@H](O)C(=O)Cc1nccs1 1458a_100000717761_100015184050 [0,1,0,0,0,1|0,0,2]=4 830 B11R1.35 C[C@H](O)C(=O)Cc1nccs1 1458a_217856618621_100015184050 [0,1,0,0,0,1|0,0,2]=4 831 B11R1.39 CCC(=O)Cc1nnc(s1)C 1458a_100000210414_100000688753 [0,1,0,0,0,1|1,0,1]=4 832 B11R1.15 CCOC(=O)c1nc(cs1)O 271570a_203496583355_200012359684 [0,2,0,0,0,0|0,0,2]=4 833 B11R1.15 CCOC(=O)c1ncc(s1)O 271570a_203496583355_100012362614 [0,2,0,0,0,0|0,0,2]=4 834 B11R1.15 CCOC(=O)c1nnc(s1)O 271570a_203496583355_100010045175 [0,2,0,0,0,0|1,0,1]=4 835 B11R1.29 C#CCCC(=O)C1=CCCC1 1458a_100000038896_100000753159 [0,2,0,0,0,0|2,0,0]=4 836 B11R1.29 C#CCCC(=O)C1CCCS1 1458a_100012002731_100000753159 [0,2,0,0,0,0|1,0,1]=4 837 B11R1.29 C/C=C/CC(=O)C1=CCCC1 1458a_100000038896_100102629194 [0,2,0,0,0,0|2,0,0]=4 838 B11R1.29 C/C=C/CC(=O)C1CCCS1 1458a_100012002731_100102629194 [0,2,0,0,0,0|1,0,1]=4 839 B11R1.29 C=CCCC(=O)C1=CCCC1 1458a_100000038896_100000754431 [0,2,0,0,0,0|2,0,0]=4 840 B11R1.29 C=CCCC(=O)C1CCCS1 1458a_100012002731_100000754431 [0,2,0,0,0,0|1,0,1]=4 841 B11R1.29 CC#CCC(=O)C1=CCCC1 1458a_100000038896_100000748600 [0,2,0,0,0,0|2,0,0]=4 842 B11R1.29 CC#CCC(=O)C1CCCS1 1458a_100012002731_100000748600 [0,2,0,0,0,0|1,0,1]=4 843 B11R1.29 CC=CCC(=O)C1=CCCC1 1458a_100000038896_100000070051 [0,2,0,0,0,0|2,0,0]=4 844 B11R1.29 CC=CCC(=O)C1CCCS1 1458a_100012002731_100000070051 [0,2,0,0,0,0|1,0,1]=4 845 B11R1.29 CCCCC(=O)C1=CCCC1 1458a_100000038896_100000210211 [0,2,0,0,0,0|2,0,0]=4 846 B11R1.29 CCCCC(=O)C1CCCS1 1458a_100012002731_100000210211 [0,2,0,0,0,0|1,0,1]=4 847 B11R1.29 CCCNC(=O)C1=CCCC1 11a_100020643023_100000038896 [0,2,0,0,0,0|2,0,0]=4 848 B11R1.29 CCCNC(=O)C1=CCCC1 1626a_100020643023_100000038896 [0,2,0,0,0,0|2,0,0]=4 849 B11R1.29 CCCNC(=O)C1=CCCC1 240690a_100020643023_100000038896 [0,2,0,0,0,0|2,0,0]=4 850 B11R1.29 CCCNC(=O)C1CCCS1 11a_100020643023_100012002731 [0,2,0,0,0,0|1,0,1]=4 851 B11R1.29 CCCNC(=O)C1CCCS1 1626a_100020643023_100012002731 [0,2,0,0,0,0|1,0,1]=4 852 B11R1.29 CCCNC(=O)C1CCCS1 240690a_100020643023_100012002731 [0,2,0,0,0,0|1,0,1]=4 853 B11R1.29 CCCNC(=O)C1CCCS1 527a_100020643023_100012002731 [0,2,0,0,0,0|1,0,1]=4 854 B11R1.29 CCNN=C(C)C1=NCCS1 4a_100000756455_100000065990 [0,2,0,0,0,0|1,0,0]=3 855 B11R1.29 CCNNC(=O)C1=CCCC1 22a_100000756455_100000038896 [0,2,0,0,0,0|2,0,0]=4 856 B11R1.29 CCNNC(=O)C1CCCS1 22a_100000756455_100012002731 [0,2,0,0,0,0|1,0,1]=4 857 B11R1.29 CCSCC(=O)c1nccs1 62a_100000210202_100000718653 [0,2,0,0,0,0|0,0,2]=4 858 B11R1.29 CCSCC(=O)c1nccs1 62a_100000718653_100000210202 [0,2,0,0,0,0|0,0,2]=4 859 B11R1.29 COCCC(=O)C1=CCCC1 1458a_100000038896_100000233755 [0,2,0,0,0,0|2,0,0]=4 860 B11R1.29 COCCC(=O)C1CCCS1 1458a_100012002731_100000233755 [0,2,0,0,0,0|1,0,1]=4 861 B11R1.29 CSCCC(=O)C1=CCCC1 1458a_100000038896_100000751147 [0,2,0,0,0,0|2,0,0]=4 862 B11R1.29 CSCCC(=O)C1CCCS1 1458a_100012002731_100000751147 [0,2,0,0,0,0|1,0,1]=4 863 B11R1.29 N#CCCC(=O)C1=CCCC1 1458a_100000038896_100011215226 [0,2,0,0,0,0|2,0,0]=4 864 B11R1.29 N#CCCC(=O)C1CCCS1 1458a_100012002731_100011215226 [0,2,0,0,0,0|1,0,1]=4 865 B11R1.29 O=C(CCCF)C1=CCCC1 1458a_100000038896_100011934791 [0,2,0,0,0,0|2,0,0]=4 866 B11R1.29 O=C(CCCF)C1CCCS1 1458a_100012002731_100011934791 [0,2,0,0,0,0|1,0,1]=4 867 B11R1.29 O=C(CCCO)C1=CCCC1 1458a_100000038896_100011215043 [0,2,0,0,0,0|2,0,0]=4 868 B11R1.29 O=C(CCCO)C1CCCS1 1458a_100012002731_100011215043 [0,2,0,0,0,0|1,0,1]=4 869 B11R1.29 O=C(CSCF)c1nccs1 62a_100000718653_100015361967 [0,2,0,0,0,0|0,0,2]=4 870 B11R1.29 O=C(CSCF)c1nccs1 62a_100015361967_100000718653 [0,2,0,0,0,0|0,0,2]=4 871 B11R1.29 O=C(NCCF)C1=CCCC1 11a_100000724931_100000038896 [0,2,0,0,0,0|2,0,0]=4 872 B11R1.29 O=C(NCCF)C1=CCCC1 1626a_100000724931_100000038896 [0,2,0,0,0,0|2,0,0]=4 873 B11R1.29 O=C(NCCF)C1=CCCC1 240690a_100000724931_100000038896 [0,2,0,0,0,0|2,0,0]=4 874 B11R1.29 O=C(NCCF)C1CCCS1 11a_100000724931_100012002731 [0,2,0,0,0,0|1,0,1]=4 875 B11R1.29 O=C(NCCF)C1CCCS1 1626a_100000724931_100012002731 [0,2,0,0,0,0|1,0,1]=4 876 B11R1.29 O=C(NCCF)C1CCCS1 240690a_100000724931_100012002731 [0,2,0,0,0,0|1,0,1]=4 877 B11R1.29 O=C(NCCF)C1CCCS1 527a_100000724931_100012002731 [0,2,0,0,0,0|1,0,1]=4 878 B11R1.29 O=C(NCCO)C1=CCCC1 240690a_100000210304_100000038896 [0,2,0,0,0,0|2,0,0]=4 879 B11R1.29 O=C(NCCO)C1CCCS1 240690a_100000210304_100012002731 [0,2,0,0,0,0|1,0,1]=4 880 B11R1.29 O=C(NCCO)C1CCCS1 527a_100000210304_100012002731 [0,2,0,0,0,0|1,0,1]=4 881 B11R1.77 C=C(C)CC(=O)C1=CCCC1 1458a_100000038896_100000748629 [0,2,0,0,0,0|2,0,0]=4 882 B11R1.77 C=C(C)CC(=O)C1CCCS1 1458a_100012002731_100000748629 [0,2,0,0,0,0|1,0,1]=4 883 B11R1.77 CC(=O)CC(=O)c1nccs1 1458a_100000070787_100000718653 [0,2,0,0,0,0|0,0,2]=4 884 B11R1.77 CC(C)CC(=O)C1=CCCC1 1458a_100000038896_100000210624 [0,2,0,0,0,0|2,0,0]=4 885 B11R1.77 CC(C)CC(=O)C1CCCS1 1458a_100012002731_100000210624 [0,2,0,0,0,0|1,0,1]=4 886 B11R1.77 CC(C)NC(=O)C1=CCCC1 11a_100138425928_100000038896 [0,2,0,0,0,0|2,0,0]=4 887 B11R1.77 CC(C)NC(=O)C1=CCCC1 1626a_100138425928_100000038896 [0,2,0,0,0,0|2,0,0]=4 888 B11R1.77 CC(C)NC(=O)C1=CCCC1 240690a_100138425928_100000038896 [0,2,0,0,0,0|2,0,0]=4 889 B11R1.77 CC(C)NC(=O)C1CCCS1 11a_100138425928_100012002731 [0,2,0,0,0,0|1,0,1]=4 890 B11R1.77 CC(C)NC(=O)C1CCCS1 1626a_100138425928_100012002731 [0,2,0,0,0,0|1,0,1]=4 891 B11R1.77 CC(C)NC(=O)C1CCCS1 240690a_100138425928_100012002731 [0,2,0,0,0,0|1,0,1]=4 892 B11R1.77 CC(C)NC(=O)C1CCCS1 527a_100138425928_100012002731 [0,2,0,0,0,0|1,0,1]=4 893 B11R1.77 CC(O)CC(=O)C1=CCCC1 1458a_100000038896_100011218427 [0,2,0,0,0,0|2,0,0]=4 894 B11R1.77 CC(O)CC(=O)C1CCCS1 1458a_100012002731_100011218427 [0,2,0,0,0,0|1,0,1]=4 895 B11R1.77 CN(C)CC(=O)c1nccs1 269982a_100102631434_100000718653 [0,2,0,0,0,0|0,0,2]=4 896 B11R1.77 O=C(CC(F)F)C1=CCCC1 1458a_100000038896_100011934356 [0,2,0,0,0,0|2,0,0]=4 897 B11R1.77 O=C(CC(F)F)C1CCCS1 1458a_100012002731_100011934356 [0,2,0,0,0,0|1,0,1]=4 898 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [0,0,1,1,0,0|1,0,1]=4 899 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [0,0,1,1,0,0|1,0,1]=4 900 B9R1.39 O=C1CCC1SCCF 62a_100009892977_100011217306 [0,0,1,1,0,0|1,0,1]=4 901 B9R1.39 O=C1CCC1SCCF 62a_100011217306_100009892977 [0,0,1,1,0,0|1,0,1]=4 902 B9R1.39 O=C1CCC1SCCO 62a_100000211926_100009892977 [0,0,1,1,0,0|1,0,1]=4 903 B9R1.39 O=C1CCC1SCCO 62a_100009892977_100000211926 [0,0,1,1,0,0|1,0,1]=4 904 B9R1.79 CCC(=O)C=C1CCC1 1458a_100000686340_100000210202 [0,0,1,1,0,0|2,0,0]=4 905 B9R1.80 CCC(=O)C=CC1CC1 1458a_100102529529_100000210202 [0,0,1,1,0,0|2,0,0]=4 906 B9R1.80 CCC(=O)CSC1CC1 62a_100000747405_100000211595 [0,0,1,1,0,0|1,0,1]=4 907 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [1,0,0,0,1,0|1,0,1]=4 908 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [1,0,0,0,1,0|1,0,1]=4 909 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [1,0,0,0,1,0|0,1,1]=4 910 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [1,0,0,0,1,0|2,0,0]=4 911 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [1,0,0,0,1,0|2,0,0]=4 912 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [1,0,0,0,1,0|2,0,0]=4 913 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [1,0,0,0,1,0|1,0,1]=4 914 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [1,0,0,0,1,0|0,1,1]=4 915 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [0,0,0,0,2,0|0,0,1]=3 916 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [0,0,0,0,2,0|0,1,1]=4 917 B7R1.22 CNC(=O)C1CC1 11a_106832991635_100000210395 [0,0,0,0,2,0|1,0,1]=4 918 B7R1.22 CNC(=O)C1CC1 1626a_100102657272_100000210395 [0,0,0,0,2,0|1,0,1]=4 919 B7R1.22 CNC(=O)C1CC1 240690a_100102657272_100000210395 [0,0,0,0,2,0|1,0,1]=4 920 B7R1.22 CNC(=O)C1CC1 527a_100102657272_100000210395 [0,0,0,0,2,0|1,0,1]=4 921 B7R1.22 O=C(CF)C1CC1 1458a_100000210395_100015361967 [0,0,0,0,2,0|1,0,1]=4 922 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [1,0,0,0,0,1|2,0,0]=4 923 B9R1.6 CC(=O)C1=CCCCO1 1458a_100000764163_200000210301 [1,0,0,0,0,1|1,1,0]=4 924 B9R1.6 CC(=O)C1=COCCC1 1458a_100000749935_200000210301 [1,0,0,0,0,1|1,1,0]=4 925 B9R1.6 CC(=O)C1=COCCO1 1458a_100000008702_200000210301 [1,0,0,0,0,1|1,1,0]=4 926 B9R1.6 CC(=O)C1SCCCS1 1458a_100000028545_200000210301 [1,0,0,0,0,1|1,0,1]=4 927 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [1,0,0,0,0,1|2,0,0]=4 928 B9R1.6 [13CH3]C(=O)C1=CCCCO1 1458a_100000764163_200025704644 [1,0,0,0,0,1|1,1,0]=4 929 B9R1.6 [13CH3]C(=O)C1=COCCC1 1458a_100000749935_200025704644 [1,0,0,0,0,1|1,1,0]=4 930 B9R1.6 [13CH3]C(=O)C1=COCCO1 1458a_100000008702_200025704644 [1,0,0,0,0,1|1,1,0]=4 931 B9R1.6 [13CH3]C(=O)C1SCCCS1 1458a_100000028545_200025704644 [1,0,0,0,0,1|1,0,1]=4 932 B11R1.40 CCC(=O)C=C1CCCCC1 1458a_100000743792_100000210202 [0,0,0,0,0,2|2,0,0]=4 933 B11R1.40 CCC(=O)C=C1CCOCC1 1458a_100000761426_100000210202 [0,0,0,0,0,2|2,0,0]=4 934 B11R1.40 CCC(=O)CC1=CCCCC1 1458a_100000039269_100000210202 [0,0,0,0,0,2|2,0,0]=4 935 B11R1.25 CCC(=O)C=CC1=CCCC1 1458a_100016262312_100000210202 [0,0,0,0,0,2|2,0,0]=4 936 B11R1.25 CCC(=O)C=Cc1nccs1 1458a_100102558208_100000210202 [0,0,0,0,0,2|0,0,2]=4 937 B11R1.25 CCC(=O)C=Cc1nccs1 6a_100000750902_100000211110 [0,0,0,0,0,2|0,0,2]=4 938 B11R1.25 CCC(=O)CCc1nccs1 1458a_100000742873_100000210202 [0,0,0,0,0,2|0,0,2]=4 939 B11R1.25 CCC(=O)CNC1=NCCC1 1458a_100000118783_100000210202 [0,0,0,0,0,2|1,0,0]=3 940 B11R1.25 CCC(=O)CSc1nccs1 62a_100000211983_100000747405 [0,0,0,0,0,2|0,0,2]=4 941 B11R1.25 CCC(=O)CSc1nccs1 62a_100000747405_100000211983 [0,0,0,0,0,2|0,0,2]=4 942 B11R1.25 CCC(=O)CSc1ncns1 62a_100000693119_100000747405 [0,0,0,0,0,2|1,0,1]=4 943 B11R1.25 CCC(=O)CSc1ncns1 62a_100000747405_100000693119 [0,0,0,0,0,2|1,0,1]=4 944 B11R1.25 CCC(=O)CSc1nncs1 62a_100000739804_100000747405 [0,0,0,0,0,2|1,0,1]=4 945 B11R1.25 CCC(=O)CSc1nncs1 62a_100000747405_100000739804 [0,0,0,0,0,2|1,0,1]=4 946 B11R1.25 CCC(=O)NCc1nccs1 11a_100000740555_100000210414 [0,0,0,0,0,2|0,0,2]=4 947 B11R1.25 CCC(=O)NCc1nccs1 1626a_100000740555_100000210414 [0,0,0,0,0,2|0,0,2]=4 948 B11R1.25 CCC(=O)NCc1nccs1 240690a_100000740555_100000210414 [0,0,0,0,0,2|0,0,2]=4 949 B11R1.25 CCC(=O)NCc1nccs1 527a_100000740555_100000210414 [0,0,0,0,0,2|0,0,2]=4 950 B11R1.25 CCC(=O)NN=C1CCCC1 4a_100000183195_100000210133 [0,0,0,0,0,2|2,0,0]=4 951 B11R1.25 CCC(=O)NNc1nccs1 22a_100011198208_100000210414 [0,0,0,0,0,2|0,0,2]=4 952 B11R1.25 CNC(=O)CNC1=NCCC1 240690a_100102657272_100000118783 [0,0,0,0,0,2|2,0,0]=4 953 B11R1.25 O=C(CF)CNC1=NCCC1 1458a_100000118783_100015361967 [0,0,0,0,0,2|2,0,0]=4