0 B9R0.43 CC(=O)OCC(CCl)O[13CH3] 7a_200000139349_200025704644 [1,0,0,0,0,0|2,0,0]=3 1 B9R0.43 CCC(CC)CNC(=O)C 11a_100102946423_100015343762 [1,0,0,0,0,0|3,0,0]=4 2 B9R0.43 CCC(CC)CNC(=O)C 1626a_100102946423_100015343762 [1,0,0,0,0,0|3,0,0]=4 3 B9R0.43 CCC(CC)CNC(=O)C 240690a_100102946423_100015343762 [1,0,0,0,0,0|3,0,0]=4 4 B9R0.43 CCC(CC)CNC(=O)C 527a_100102946423_100103153847 [1,0,0,0,0,0|3,0,0]=4 5 B9R0.43 CCC(CNC(=O)C)OC 11a_100000731041_100015343762 [1,0,0,0,0,0|2,0,0]=3 6 B9R0.43 CCC(CNC(=O)C)OC 1626a_100000731041_100015343762 [1,0,0,0,0,0|2,0,0]=3 7 B9R0.43 CCC(CNC(=O)C)OC 240690a_100000731041_100015343762 [1,0,0,0,0,0|2,0,0]=3 8 B9R0.43 CCC(CNC(=O)C)OC 527a_100000731041_100103153847 [1,0,0,0,0,0|2,0,0]=3 9 B9R0.43 COC(CCl)COC(=O)C 7a_200000139349_200000210301 [1,0,0,0,0,0|2,0,0]=3 10 B9R0.43 COC(CNC(=O)C)OC 11a_100000210479_100015343762 [1,0,0,0,0,0|3,0,0]=4 11 B9R0.43 COC(CNC(=O)C)OC 1626a_100000210479_100015343762 [1,0,0,0,0,0|3,0,0]=4 12 B9R0.43 COC(CNC(=O)C)OC 240690a_100000210479_100015343762 [1,0,0,0,0,0|3,0,0]=4 13 B9R0.43 COC(CNC(=O)C)OC 527a_100000210479_100103153847 [1,0,0,0,0,0|3,0,0]=4 14 B9R0.48 COCC(O)CNC(=O)C 240690a_100000756049_100015343762 [1,0,0,0,0,0|3,0,0]=4 15 B9R0.48 COCC(O)CNC(=O)C 527a_100000756049_100103153847 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.91 CC(=O)NCC1CCCCO1 11a_100000174945_100015343762 [0,0,0,1,0,0|3,0,0]=4 17 B11R1.91 CC(=O)NCC1CCCCO1 1626a_100000174945_100015343762 [0,0,0,1,0,0|3,0,0]=4 18 B11R1.91 CC(=O)NCC1CCCCO1 240690a_100000174945_100015343762 [0,0,0,1,0,0|3,0,0]=4 19 B11R1.91 CC(=O)NCC1CCCCO1 527a_100000174945_100103153847 [0,0,0,1,0,0|3,0,0]=4 20 B11R1.91 CC(=O)NC[C@H]1COCCO1 11a_100010981119_100015343762 [0,0,0,1,0,0|3,0,0]=4 21 B11R1.91 CC(=O)NC[C@H]1COCCO1 1626a_100010981119_100015343762 [0,0,0,1,0,0|3,0,0]=4 22 B11R1.91 CC(=O)NC[C@H]1COCCO1 240690a_100010981119_100015343762 [0,0,0,1,0,0|3,0,0]=4 23 B11R1.91 CC(=O)NC[C@H]1COCCO1 527a_100010981119_100103153847 [0,0,0,1,0,0|3,0,0]=4 24 B11R1.266 CC(=O)N1CCCC(C1)O[13CH3] 7a_200011196156_200025704644 [0,0,0,1,0,0|3,0,0]=4 25 B11R1.266 COC1CCCN(C1)C(=O)C 11a_100000695604_100015343762 [0,0,0,1,0,0|3,0,0]=4 26 B11R1.266 COC1CCCN(C1)C(=O)C 1626a_100000695604_100015343762 [0,0,0,1,0,0|3,0,0]=4 27 B11R1.266 COC1CCCN(C1)C(=O)C 240690a_100000695604_100015343762 [0,0,0,1,0,0|3,0,0]=4 28 B11R1.266 COC1CCCN(C1)C(=O)C 527a_100000695604_100103153847 [0,0,0,1,0,0|3,0,0]=4 29 B11R1.266 COC1CCCN(C1)C(=O)C 7a_200011196156_200000210301 [0,0,0,1,0,0|3,0,0]=4 30 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [2,0,0,0,0,0|2,0,0]=4 31 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [2,0,0,0,0,0|2,0,0]=4 32 B8R0.9 CC(=O)NC[C@H](O)CO 240690a_100020644852_100015343762 [2,0,0,0,0,0|2,0,0]=4 33 B8R0.9 CC(=O)NC[C@H](O)CO 527a_100020644852_100103153847 [2,0,0,0,0,0|2,0,0]=4 34 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [2,0,0,0,0,0|2,0,0]=4 35 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [2,0,0,0,0,0|2,0,0]=4 36 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [2,0,0,0,0,0|2,0,0]=4 37 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [2,0,0,0,0,0|2,0,0]=4 38 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [2,0,0,0,0,0|2,0,0]=4 39 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [2,0,0,0,0,0|2,0,0]=4 40 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [2,0,0,0,0,0|2,0,0]=4 41 B8R0.9 COC(C)SCC(=O)N 62a_100000747473_100009879195 [2,0,0,0,0,0|2,0,0]=4 42 B8R0.9 COC(C)SCC(=O)N 62a_100009879195_100000747473 [2,0,0,0,0,0|2,0,0]=4 43 B8R0.9 CO[C@H](C)CNC(=O)C 11a_100020591295_100015343762 [2,0,0,0,0,0|1,0,0]=3 44 B8R0.9 CO[C@H](C)CNC(=O)C 1626a_100020591295_100015343762 [2,0,0,0,0,0|1,0,0]=3 45 B8R0.9 CO[C@H](C)CNC(=O)C 240690a_100020591295_100015343762 [2,0,0,0,0,0|1,0,0]=3 46 B8R0.9 CO[C@H](C)CNC(=O)C 527a_100020591295_100103153847 [2,0,0,0,0,0|1,0,0]=3 47 B10R0.45 C=CC(=O)NCC(CC)OC 1626a_100000731041_100000185746 [1,1,0,0,0,0|2,0,0]=4 48 B10R0.45 C=CC(=O)NCC(CC)OC 240690a_100000731041_200121576911 [1,1,0,0,0,0|2,0,0]=4 49 B10R0.45 CCC(=O)NCC(CC)OC 11a_100000731041_100000210414 [1,1,0,0,0,0|2,0,0]=4 50 B10R0.45 CCC(=O)NCC(CC)OC 1626a_100000731041_100000210414 [1,1,0,0,0,0|2,0,0]=4 51 B10R0.45 CCC(=O)NCC(CC)OC 240690a_100000731041_100000210414 [1,1,0,0,0,0|2,0,0]=4 52 B10R0.45 CCC(=O)NCC(CC)OC 527a_100000731041_100000210414 [1,1,0,0,0,0|2,0,0]=4 53 B10R0.45 CCC(CC)CNC(=O)NC 2708a_100102657272_100102946423 [1,1,0,0,0,0|2,0,0]=4 54 B10R0.45 CCC(CC)CNC(=O)NC 2708a_100102946423_106832991635 [1,1,0,0,0,0|2,0,0]=4 55 B10R0.45 CCC(CC)CNC(=O)NC 273464a_100102657272_100102946423 [1,1,0,0,0,0|2,0,0]=4 56 B10R0.45 CCC(CC)CNC(=O)NC 273464a_100102946423_100102657272 [1,1,0,0,0,0|2,0,0]=4 57 B10R0.45 CCC(CC)CNC(=O)NC 512a_100102946423_100102657272 [1,1,0,0,0,0|2,0,0]=4 58 B10R0.45 CCC(CC)CNC(=O)NC 512a_106832991638_100102946423 [1,1,0,0,0,0|2,0,0]=4 59 B10R0.45 CCC(CNC(=O)CO)OC 240690a_100000731041_100000210174 [1,1,0,0,0,0|2,0,0]=4 60 B10R0.45 CCC(CNC(=O)CO)OC 527a_100000731041_100000210174 [1,1,0,0,0,0|2,0,0]=4 61 B10R0.45 CCC(CNC(=O)NC)OC 2708a_100000731041_106832991635 [1,1,0,0,0,0|1,0,0]=3 62 B10R0.45 CCC(CNC(=O)NC)OC 2708a_100102657272_100000731041 [1,1,0,0,0,0|1,0,0]=3 63 B10R0.45 CCC(CNC(=O)NC)OC 273464a_100000731041_100102657272 [1,1,0,0,0,0|1,0,0]=3 64 B10R0.45 CCC(CNC(=O)NC)OC 273464a_100102657272_100000731041 [1,1,0,0,0,0|1,0,0]=3 65 B10R0.45 CCC(CNC(=O)NC)OC 512a_100000731041_100102657272 [1,1,0,0,0,0|1,0,0]=3 66 B10R0.45 CCC(CNC(=O)NC)OC 512a_106832991638_100000731041 [1,1,0,0,0,0|1,0,0]=3 67 B10R0.45 CNC(=O)NCC(OC)OC 2708a_100000210479_106832991635 [1,1,0,0,0,0|2,0,0]=4 68 B10R0.45 CNC(=O)NCC(OC)OC 273464a_100000210479_100102657272 [1,1,0,0,0,0|2,0,0]=4 69 B10R0.45 CNC(=O)NCC(OC)OC 273464a_100102657272_100000210479 [1,1,0,0,0,0|2,0,0]=4 70 B10R0.45 CNC(=O)NCC(OC)OC 512a_100000210479_100102657272 [1,1,0,0,0,0|2,0,0]=4 71 B10R0.45 CNC(=O)NCC(OC)OC 512a_106832991638_100000210479 [1,1,0,0,0,0|2,0,0]=4 72 B10R0.108 CNC(=O)NCC(O)COC 2708a_100102657272_100000756049 [1,1,0,0,0,0|2,0,0]=4 73 B10R0.108 CNC(=O)NCC(O)COC 273464a_100000756049_100102657272 [1,1,0,0,0,0|2,0,0]=4 74 B10R0.108 CNC(=O)NCC(O)COC 273464a_100102657272_100000756049 [1,1,0,0,0,0|2,0,0]=4 75 B10R0.108 CNC(=O)NCC(O)COC 512a_100000756049_100102657272 [1,1,0,0,0,0|2,0,0]=4 76 B10R0.108 CNC(=O)NCC(O)COC 512a_106832991638_100000756049 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.31 CC(=O)N1CC[C@@H](C1)O[13CH3] 7a_100012000934_200025704644 [1,0,0,1,0,0|2,0,0]=4 78 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 11a_100000766984_100015343762 [1,0,0,1,0,0|2,0,0]=4 79 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 1626a_100000766984_100015343762 [1,0,0,1,0,0|2,0,0]=4 80 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 240690a_100000766984_100015343762 [1,0,0,1,0,0|2,0,0]=4 81 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 527a_100000766984_100103153847 [1,0,0,1,0,0|2,0,0]=4 82 B10R1.31 CO[C@H]1CCN(C1)C(=O)C 7a_100012000934_200000210301 [1,0,0,1,0,0|2,0,0]=4 83 B10R1.66 CC(=O)NC[C@@H]1CCCO1 11a_100020590478_100015343762 [1,0,0,1,0,0|2,0,0]=4 84 B10R1.66 CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100015343762 [1,0,0,1,0,0|2,0,0]=4 85 B10R1.66 CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100015343762 [1,0,0,1,0,0|2,0,0]=4 86 B10R1.66 CC(=O)NC[C@@H]1CCCO1 527a_100020590478_100103153847 [1,0,0,1,0,0|2,0,0]=4 87 B12R1.252 NC(=O)CNCC1CCCCO1 2230a_100000174945_100000747473 [0,0,0,1,0,1|2,0,0]=4 88 B12R1.252 NC(=O)CNCC1CCCCO1 2230a_100000711301_100000211543 [0,0,0,1,0,1|2,0,0]=4 89 B12R1.252 NC(=O)CNCC1CCCCO1 34a_100000174945_100000187820 [0,0,0,1,0,1|2,0,0]=4 90 B12R1.252 NC(=O)CNC[C@H]1COCCO1 2230a_100010981119_100000747473 [0,0,0,1,0,1|2,0,0]=4 91 B12R1.252 NC(=O)CNC[C@H]1COCCO1 34a_100010981119_100000187820 [0,0,0,1,0,1|2,0,0]=4 92 B12R1.438 COC1CCCN(C1)CC(=O)N 2230a_100000695604_100000747473 [0,0,0,1,0,1|2,0,0]=4 93 B12R1.438 COC1CCCN(C1)CC(=O)N 269982a_100000695604_100000187820 [0,0,0,1,0,1|2,0,0]=4 94 B12R1.438 COC1CCCN(C1)CC(=O)N 34a_100000695604_100000187820 [0,0,0,1,0,1|2,0,0]=4 95 B12R1.27 CNC(=O)NCC1CCCCO1 2708a_100000174945_106832991635 [0,1,0,1,0,0|2,0,0]=4 96 B12R1.27 CNC(=O)NCC1CCCCO1 2708a_100102657272_100000174945 [0,1,0,1,0,0|2,0,0]=4 97 B12R1.27 CNC(=O)NCC1CCCCO1 273464a_100000174945_100102657272 [0,1,0,1,0,0|2,0,0]=4 98 B12R1.27 CNC(=O)NCC1CCCCO1 273464a_100102657272_100000174945 [0,1,0,1,0,0|2,0,0]=4 99 B12R1.27 CNC(=O)NCC1CCCCO1 512a_100000174945_100102657272 [0,1,0,1,0,0|2,0,0]=4 100 B12R1.27 CNC(=O)NCC1CCCCO1 512a_106832991638_100000174945 [0,1,0,1,0,0|2,0,0]=4 101 B12R1.27 CNC(=O)NC[C@H]1COCCO1 2708a_100010981119_106832991635 [0,1,0,1,0,0|2,0,0]=4 102 B12R1.27 CNC(=O)NC[C@H]1COCCO1 2708a_100102657272_100010981119 [0,1,0,1,0,0|2,0,0]=4 103 B12R1.27 CNC(=O)NC[C@H]1COCCO1 273464a_100010981119_100102657272 [0,1,0,1,0,0|2,0,0]=4 104 B12R1.27 CNC(=O)NC[C@H]1COCCO1 273464a_100102657272_100010981119 [0,1,0,1,0,0|2,0,0]=4 105 B12R1.27 CNC(=O)NC[C@H]1COCCO1 512a_100010981119_100102657272 [0,1,0,1,0,0|2,0,0]=4 106 B12R1.27 CNC(=O)NC[C@H]1COCCO1 512a_106832991638_100010981119 [0,1,0,1,0,0|2,0,0]=4 107 B12R1.435 CNC(=O)N1CCCC(C1)OC 2708a_100102657272_100000695604 [0,1,0,1,0,0|2,0,0]=4 108 B12R1.435 CNC(=O)N1CCCC(C1)OC 273464a_100102657272_100000695604 [0,1,0,1,0,0|2,0,0]=4 109 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [0,0,0,0,2,0|2,0,0]=4 110 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [0,0,0,0,2,0|2,0,0]=4 111 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [0,0,0,0,2,0|2,0,0]=4 112 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [0,0,0,0,2,0|2,0,0]=4 113 B10R0.77 CCC(CC)CNCC(=O)N 2230a_100000711301_100011215472 [1,0,0,0,0,1|2,0,0]=4 114 B10R0.77 CCC(CC)CNCC(=O)N 2230a_100102946423_100000747473 [1,0,0,0,0,1|2,0,0]=4 115 B10R0.77 CCC(COCC(=O)N)OC 34a_100011934954_100000187820 [1,0,0,0,0,1|2,0,0]=4 116 B10R0.77 CCC(COCC(=O)N)OC 7a_100011934954_100000187820 [1,0,0,0,0,1|2,0,0]=4 117 B10R0.77 COC(CNCC(=O)N)OC 2230a_100000711301_100000751394 [1,0,0,0,0,1|2,0,0]=4 118 B10R0.3 CCCC(C)CNCC(=O)N 2230a_100000711301_100011216630 [1,0,0,0,0,1|2,0,0]=4 119 B10R0.3 COCC(O)CNCC(=O)N 2230a_100000756049_100000747473 [1,0,0,0,0,1|2,0,0]=4 120 B10R0.3 COCC(O)CNCC(=O)N 34a_100000756049_100000187820 [1,0,0,0,0,1|2,0,0]=4 121 B10R0.3 N#CC[C@H](O)CNCC(=O)N 2230a_100000711301_100000001066 [1,0,0,0,0,1|2,0,0]=4