0 B11R1.21 C=C(C)c1cc(=O)n(cn1)C 271570a_100000694244_100012179353 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.21 C=C(C)c1cc(c(cn1)C)C 271570a_100000694244_100009850809 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.21 C=C(C)c1cc(c(cn1)C)F 271570a_100000694244_100009841206 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.21 C=C(C)c1cc(c(cn1)C)N 271570a_100000694244_100000690170 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.21 C=C(C)c1cc(c(cn1)C)O 271570a_100000694244_100000704368 [0,0,0,0,0,0|1,0,3]=4 5 B11R1.21 C=C(C)c1ccc(c(c1)Br)C 271570a_100000694244_100011847877 [0,0,0,0,0,0|1,0,3]=4 6 B11R1.21 C=C(C)c1ccc(c(c1)C)C 271570a_100000694244_100011215607 [0,0,0,0,0,0|1,0,3]=4 7 B11R1.21 C=C(C)c1ccc(c(c1)Cl)C 271570a_100000694244_100011216363 [0,0,0,0,0,0|1,0,3]=4 8 B11R1.21 C=C(C)c1ccc(c(c1)F)C 271570a_100000694244_100000720648 [0,0,0,0,0,0|1,0,3]=4 9 B11R1.21 C=C(C)c1ccc(c(c1)N)C 271570a_100000694244_100000761890 [0,0,0,0,0,0|1,0,3]=4 10 B11R1.21 C=C(C)c1ccc(c(c1)O)C 271570a_100000694244_100000766334 [0,0,0,0,0,0|0,0,4]=4 11 B11R1.21 C=C(C)c1ccc(c(n1)C)C 271570a_100000694244_100000103781 [0,0,0,0,0,0|2,0,2]=4 12 B11R1.21 C=C(C)c1ccc(c(n1)N)C 271570a_100000694244_100009857032 [0,0,0,0,0,0|2,0,2]=4 13 B11R1.21 C=C(C)c1ccn(c(=O)c1)C 271570a_100000694244_100009820031 [0,0,0,0,0,0|1,0,3]=4 14 B11R1.21 C=C(C)c1ncc(c(n1)N)C 271570a_100000694244_100011996698 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.21 CC(=O)C1CCN(C(=O)C1)C 1458a_100000043916_200000210301 [0,0,0,0,0,0|2,0,1]=3 16 B11R1.21 CC(=O)N1CCN(C(=O)C1)C 11a_100000187256_100015343762 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.21 CC(=O)N1CCN(C(=O)C1)C 1626a_100000187256_100015343762 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.21 CC(=O)N1CCN(C(=O)C1)C 240690a_100000187256_100015343762 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.21 CC(=O)N1CCN(C(=O)C1)C 527a_100000187256_100103153847 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.21 CN1CCC(CC1=O)C(=O)[13CH3] 1458a_100000043916_200025704644 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [1,0,0,0,0,0|0,0,3]=4 22 B10R1.13 C=C(C)c1ccc(cn1)C 271570a_100000694244_100000754016 [1,0,0,0,0,0|1,0,2]=4 23 B10R1.13 C=C(C)c1ncc(cn1)C 271570a_100000694244_100011825175 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.13 CC(=O)C1CC=C(CC1)C 1458a_100000137427_200000210301 [1,0,0,0,0,0|1,0,1]=3 25 B10R1.13 CC(=O)N1CC=C(CC1)C 11a_100000693516_100015343762 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.13 CC(=O)N1CC=C(CC1)C 1626a_100000693516_100015343762 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.13 CC(=O)N1CC=C(CC1)C 240690a_100000693516_100015343762 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.13 CC(=O)N1CC=C(CC1)C 527a_100000693516_100103153847 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.13 CC1=CCC(CC1)C(=O)[13CH3] 1458a_100000137427_200025704644 [1,0,0,0,0,0|1,0,1]=3 30 B10R1.113 C=C(C)c1cccc(=O)[nH]1 271570a_100000694244_100000761760 [1,0,0,0,0,0|1,0,2]=4 31 B10R1.113 CC(=O)C1CCNC(=O)C1 1458a_100000132800_200000210301 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.113 [13CH3]C(=O)C1CCNC(=O)C1 1458a_100000132800_200025704644 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.176 CN1CCC(CC1=O)N[13CH3] 2230a_100000126938_200025704644 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.176 CN1CCC(CC1=O)N[13CH3] 34a_100000126938_200025704644 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.176 CNC1CCN(C(=O)C1)C 2230a_100000126938_200000210301 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.176 CNC1CCN(C(=O)C1)C 34a_100000126938_200000210301 [1,0,0,0,0,0|2,0,1]=4 37 B12R1.56 C=C(C)C1CC=C(C(C1)OC)C 34a_100000038928_200000210301 [0,1,0,0,0,0|0,0,2]=3 38 B12R1.56 C=C(C)C1CC=C(C(C1)OC)C 7a_100000038928_200000210301 [0,1,0,0,0,0|0,0,2]=3 39 B12R1.56 C=C(C)C1CC=C(C(C1)O[13CH3])C 34a_100000038928_200025704644 [0,1,0,0,0,0|0,0,2]=3 40 B12R1.56 C=C(C)C1CC=C(C(C1)O[13CH3])C 7a_100000038928_200025704644 [0,1,0,0,0,0|0,0,2]=3 41 B12R1.56 C=C(C)c1ccc(c(c1)C=O)C 271570a_100000694244_100011361606 [0,1,0,0,0,0|0,0,3]=4 42 B12R1.367 CCC(=O)C1CCN(C(=O)C1)C 1458a_100000043916_100000210202 [0,1,0,0,0,0|2,0,1]=4 43 B12R1.367 CN1CCC(CC1=O)C(=O)CF 1458a_100000043916_100015361967 [0,1,0,0,0,0|2,0,1]=4 44 B12R1.367 CNC(=O)C1CCN(C(=O)C1)C 11a_106832991635_100000043916 [0,1,0,0,0,0|2,0,1]=4 45 B12R1.367 CNC(=O)C1CCN(C(=O)C1)C 1626a_100102657272_100000043916 [0,1,0,0,0,0|2,0,1]=4 46 B12R1.367 CNC(=O)C1CCN(C(=O)C1)C 240690a_100102657272_100000043916 [0,1,0,0,0,0|2,0,1]=4 47 B12R1.367 CNC(=O)C1CCN(C(=O)C1)C 527a_100102657272_100000043916 [0,1,0,0,0,0|2,0,1]=4 48 B12R1.1005 CC(=O)[C@@H]1CC(=O)N(C(=O)N1)C 1458a_100015231322_200000210301 [0,1,0,0,0,0|3,0,0]=4 49 B12R1.1005 CN1C(=O)C[C@H](NC1=O)C(=O)[13CH3] 1458a_100015231322_200025704644 [0,1,0,0,0,0|3,0,0]=4 50 B10R0.57 C#CC(C)C(=O)CCC(=C)C 1458a_200000688413_200000035995 [0,0,1,0,0,0|0,0,3]=4 51 B10R0.57 C/C=C(\C)/C(=O)CC=C(C)C 1458a_100020587367_100000761012 [0,0,1,0,0,0|0,0,2]=3 52 B10R0.57 C/C=C(\C)/C(=O)CCC(C)C 1458a_100020587367_100000210312 [0,0,1,0,0,0|0,0,2]=3 53 B10R0.57 C/C=C(\C)/C(=O)CCC(C)O 1458a_100020587367_100012276601 [0,0,1,0,0,0|1,0,1]=3 54 B10R0.57 C/C=C(\C)/C(=O)NCC(=O)N 11a_100000711301_100020587367 [0,0,1,0,0,0|3,0,0]=4 55 B10R0.57 C/C=C(\C)/C(=O)NCC(C)C 11a_100000210953_100020587367 [0,0,1,0,0,0|1,0,2]=4 56 B10R0.57 C/C=C(\C)/C(=O)NCC(C)C 1626a_100000210953_100020587367 [0,0,1,0,0,0|1,0,2]=4 57 B10R0.57 C/C=C(\C)/C(=O)NCC(C)O 11a_100000210904_100020587367 [0,0,1,0,0,0|2,0,1]=4 58 B10R0.57 C/C=C(\C)/C(=O)NNC(=O)C 22a_100000189765_100020587367 [0,0,1,0,0,0|3,0,0]=4 59 B10R0.57 C=C(C)CCC(=O)/C(=C/C)/C 1458a_100020587367_100000730704 [0,0,1,0,0,0|0,0,0]=1 60 B10R0.57 C=C(C)CCC(=O)C(=O)NC 1458a_100011218921_100000730704 [0,0,1,0,0,0|2,0,0]=3 61 B10R0.57 C=C(C)CCC(=O)C(C)C#N 1458a_100000753662_100000730704 [0,0,1,0,0,0|1,0,2]=4 62 B10R0.57 C=C(C)CCC(=O)C(C)C#N 1458a_200000688413_100000703298 [0,0,1,0,0,0|1,0,2]=4 63 B10R0.57 C=C(C)CCC(=O)C(C)CC 1458a_100011192722_100000730704 [0,0,1,0,0,0|0,0,2]=3 64 B10R0.57 C=C(C)CCC(=O)C(C)CC 1458a_200000688413_100000758301 [0,0,1,0,0,0|0,0,2]=3 65 B10R0.57 C=C(C)CCC(=O)C(C)OC 1458a_100000743197_100000730704 [0,0,1,0,0,0|1,0,1]=3 66 B10R0.57 C=C(C)CCC(=O)C(C)SC 1458a_100000149566_100000730704 [0,0,1,0,0,0|1,0,1]=3 67 B10R0.57 C=C(C)CCC(=O)C(O)CC 1458a_100011196387_100000730704 [0,0,1,0,0,0|1,0,2]=4 68 B10R0.57 C=C(C)CCC(=O)N(C)CC 11a_100000225621_200000688413 [0,0,1,0,0,0|1,0,1]=3 69 B10R0.57 C=C(C)CCC(=O)N(C)CC 1626a_100000225621_200000688413 [0,0,1,0,0,0|1,0,1]=3 70 B10R0.57 C=C(C)CCC(=O)N(C)CC 240690a_100000225621_200000688413 [0,0,1,0,0,0|1,0,1]=3 71 B10R0.57 C=C(C)CCC(=O)N(C)CC 527a_100000225621_200000688413 [0,0,1,0,0,0|1,0,1]=3 72 B10R0.57 C=C(C)CNC(=O)/C(=C/C)/C 11a_100000765925_100020587367 [0,0,1,0,0,0|1,0,0]=2 73 B10R0.57 C=C(C)CNC(=O)/C(=C/C)/C 1626a_100000765925_100020587367 [0,0,1,0,0,0|1,0,0]=2 74 B10R0.57 C=C(C)CNC(=O)C(=O)NC 1626a_100000765925_100011218921 [0,0,1,0,0,0|3,0,0]=4 75 B10R0.57 C=C(C)CNC(=O)C(=O)NC 240690a_100000765925_100011218921 [0,0,1,0,0,0|3,0,0]=4 76 B10R0.57 C=C(C)CNC(=O)C(=O)NC 527a_100000765925_100011218921 [0,0,1,0,0,0|3,0,0]=4 77 B10R0.57 C=C(C)CNC(=O)C(=O)OC 11a_100000765925_100000024059 [0,0,1,0,0,0|3,0,0]=4 78 B10R0.57 C=C(C)CNC(=O)C(=O)OC 1626a_100000765925_100000024059 [0,0,1,0,0,0|3,0,0]=4 79 B10R0.57 C=C(C)CNC(=O)C(=O)OC 240690a_100000765925_100000024059 [0,0,1,0,0,0|3,0,0]=4 80 B10R0.57 C=C(C)CNC(=O)C(=O)OC 527a_100000765925_100000024059 [0,0,1,0,0,0|3,0,0]=4 81 B10R0.57 C=C(C)CNC(=O)C(C)CC 11a_100000765925_100011192722 [0,0,1,0,0,0|1,0,2]=4 82 B10R0.57 C=C(C)CNC(=O)C(C)CC 1626a_100000765925_100011192722 [0,0,1,0,0,0|1,0,2]=4 83 B10R0.57 C=C(C)CNC(=O)C(C)CC 240690a_100000765925_100011192722 [0,0,1,0,0,0|1,0,2]=4 84 B10R0.57 C=C(C)CNC(=O)C(C)CC 527a_100000765925_100011192722 [0,0,1,0,0,0|1,0,2]=4 85 B10R0.57 C=C(C)CNC(=O)C(C)OC 11a_100000765925_100000743197 [0,0,1,0,0,0|2,0,1]=4 86 B10R0.57 C=C(C)CNC(=O)C(C)OC 1626a_100000765925_100000743197 [0,0,1,0,0,0|2,0,1]=4 87 B10R0.57 C=C(C)CNC(=O)C(C)OC 240690a_100000765925_100000743197 [0,0,1,0,0,0|2,0,1]=4 88 B10R0.57 C=C(C)CNC(=O)C(C)OC 527a_100000765925_100000743197 [0,0,1,0,0,0|2,0,1]=4 89 B10R0.57 C=C(C)CNC(=O)C(C)SC 11a_100000765925_100000149566 [0,0,1,0,0,0|2,0,1]=4 90 B10R0.57 C=C(C)CNC(=O)C(C)SC 1626a_100000765925_100000149566 [0,0,1,0,0,0|2,0,1]=4 91 B10R0.57 C=C(C)CNC(=O)C(C)SC 240690a_100000765925_100000149566 [0,0,1,0,0,0|2,0,1]=4 92 B10R0.57 C=C(C)CNC(=O)C(C)SC 527a_100000765925_100000149566 [0,0,1,0,0,0|2,0,1]=4 93 B10R0.57 C=C(C)CNC(=O)N(C)CC 2708a_100000765925_100000225621 [0,0,1,0,0,0|2,0,1]=4 94 B10R0.57 C=C(C)CNC(=O)N(C)CC 273464a_100000765925_100000225621 [0,0,1,0,0,0|2,0,1]=4 95 B10R0.57 C=CC(C)C(=O)CCC(=C)C 1458a_100011216780_100000730704 [0,0,1,0,0,0|0,0,2]=3 96 B10R0.57 C=CC(C)C(=O)NCC(=C)C 11a_100000765925_100011216780 [0,0,1,0,0,0|1,0,2]=4 97 B10R0.57 C=CC(C)C(=O)NCC(=C)C 1626a_100000765925_100011216780 [0,0,1,0,0,0|1,0,2]=4 98 B10R0.57 C=CC(C)C(=O)NCC(=C)C 240690a_100000765925_100011216780 [0,0,1,0,0,0|1,0,2]=4 99 B10R0.57 C=CC(C)C(=O)NCC(=C)C 527a_100000765925_100011216780 [0,0,1,0,0,0|1,0,2]=4 100 B10R0.93 C=C(C)C(=O)CC(=O)C(=O)C 1458a_100000185857_100011261029 [0,0,1,0,0,0|2,0,1]=4 101 B10R0.93 C=C(C)C(=O)NC(C)C(C)C 11a_100000211541_100000185857 [0,0,1,0,0,0|1,0,2]=4 102 B10R0.93 C=C(C)C(=O)NC(C)C(C)C 1626a_100000211541_100000185857 [0,0,1,0,0,0|1,0,2]=4 103 B10R0.93 C=C(C)C(=O)N[C@H](C)C(=O)N 11a_100000119354_100000185857 [0,0,1,0,0,0|3,0,0]=4 104 B10R0.98 C=C(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000730704 [0,0,1,0,0,0|2,0,1]=4 105 B10R0.98 C=C(C)CCN[C@H](C)C(=O)N 2230a_100000119354_100000730704 [0,0,1,0,0,0|2,0,1]=4 106 B10R0.98 C=C(C)CCN[C@H](C)C(=O)N 34a_100000119354_100000730704 [0,0,1,0,0,0|2,0,1]=4 107 B10R0.98 C=C(C)CCOC(C)C(=O)C 34a_100000212229_100000730704 [0,0,1,0,0,0|1,0,1]=3 108 B10R0.98 C=C(C)CCOC(C)C(=O)N 34a_100000764851_100000702099 [0,0,1,0,0,0|2,0,1]=4 109 B10R0.98 C=C(C)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000730704 [0,0,1,0,0,0|2,0,1]=4 110 B10R0.98 C=C(C)CCO[C@H](C)C(=O)N 34a_100000731257_100000730704 [0,0,1,0,0,0|2,0,1]=4 111 B10R0.98 C=C(C)CCO[C@H](C)C(=O)N 7a_100000731257_100000730704 [0,0,1,0,0,0|2,0,1]=4 112 B10R0.98 C=C(C)CCSC(C)C(=O)C 62a_100000730704_100009814033 [0,0,1,0,0,0|1,0,1]=3 113 B10R0.98 C=C(C)CCSC(C)C(=O)C 62a_100009814033_100000730704 [0,0,1,0,0,0|1,0,1]=3 114 B10R0.98 C=C(C)CCSC(C)C(=O)N 62a_100000702099_100000730704 [0,0,1,0,0,0|2,0,1]=4 115 B10R0.98 C=C(C)CCSC(C)C(=O)N 62a_100000730704_100000702099 [0,0,1,0,0,0|2,0,1]=4 116 B10R0.98 C=C(C)COCC(=O)C(=O)C 34a_100000210245_100011261029 [0,0,1,0,0,0|2,0,1]=4 117 B10R0.98 C=C(C)COCC(C)C(=O)C 34a_100000032740_100000748629 [0,0,1,0,0,0|1,0,2]=4 118 B10R0.98 C=C(C)COCC(C)C(=O)C 7a_100000032740_100000748629 [0,0,1,0,0,0|1,0,2]=4 119 B10R0.98 C=C(C)CSCC(=O)C(=O)C 62a_100000748629_100011261029 [0,0,1,0,0,0|2,0,1]=4 120 B10R0.98 C=C(C)CSCC(=O)C(=O)C 62a_100011261029_100000211660 [0,0,1,0,0,0|2,0,1]=4 121 B10R0.98 CC(=O)CCOC(C)C(=O)C 7a_100000759926_100000179758 [0,0,1,0,0,0|2,0,1]=4 122 B10R0.98 CC(=O)CCSC(C)C(=O)C 62a_100000053229_100009814033 [0,0,1,0,0,0|2,0,1]=4 123 B10R0.98 CC(=O)CCSC(C)C(=O)C 62a_100009814033_100000053229 [0,0,1,0,0,0|2,0,1]=4 124 B10R1.58 C=C(C)c1cc(c(s1)C)C 271570a_100000694244_100009850898 [0,0,0,0,1,0|2,0,1]=4 125 B10R1.58 CC(=O)C1CC(=O)N(C1)C 1458a_100000187535_200000210301 [0,0,0,0,1,0|2,0,0]=3 126 B10R1.58 CC1=CC(OC1=O)N(C)C 2230a_100102631434_200009893386 [0,0,0,0,1,0|2,0,1]=4 127 B10R1.58 CN1CC(CC1=O)C(=O)[13CH3] 1458a_100000187535_200025704644 [0,0,0,0,1,0|2,0,0]=3 128 B10R1.194 CC(=O)C1CCN(C1=O)C 1458a_100000070787_100000755940 [0,0,0,0,1,0|2,0,1]=4 129 B10R1.194 CC(=O)C1CCN(C1=O)C 1458a_100000137746_200000210301 [0,0,0,0,1,0|2,0,1]=4 130 B10R1.194 CN1CCC(C1=O)C(=O)[13CH3] 1458a_100000137746_200025704644 [0,0,0,0,1,0|2,0,1]=4 131 B12R1.19 C=C(C)CN1CCN(C(=O)C1)C 2230a_100000187256_100000748629 [0,0,0,0,0,1|2,0,1]=4 132 B12R1.19 C=C(C)CN1CCN(C(=O)C1)C 269982a_100000187256_100000748629 [0,0,0,0,0,1|2,0,1]=4 133 B12R1.19 CC(=O)NC1CCN(C(=O)C1)C 11a_100000126938_100015343762 [0,0,0,0,0,1|2,0,1]=4 134 B12R1.19 CC(=O)NC1CCN(C(=O)C1)C 1626a_100000126938_100015343762 [0,0,0,0,0,1|2,0,1]=4 135 B12R1.19 CC(=O)NC1CCN(C(=O)C1)C 240690a_100000126938_100015343762 [0,0,0,0,0,1|2,0,1]=4 136 B12R1.19 CC(=O)NC1CCN(C(=O)C1)C 527a_100000126938_100103153847 [0,0,0,0,0,1|2,0,1]=4 137 B9R0.42 C=C(C)C(=O)CC(C)CC 1458a_100000185857_100000748023 [1,0,1,0,0,0|0,0,1]=3 138 B9R0.42 C=C(C)C(=O)CC(O)CC 1458a_100000185857_100011218378 [1,0,1,0,0,0|1,0,1]=4 139 B9R0.42 C=C(C)C(=O)C[C@@H](C)CC 1458a_100000185857_100009816398 [1,0,1,0,0,0|0,0,1]=3 140 B9R0.42 C=C(C)C(=O)C[C@@H](C)CO 1458a_100000185857_100000059175 [1,0,1,0,0,0|1,0,1]=4 141 B9R0.42 C=C(C)C(=O)NC(C)CC 11a_100000209981_100000185857 [1,0,1,0,0,0|1,0,1]=4 142 B9R0.42 C=C(C)C(=O)NC(C)CC 1626a_100000209981_100000185857 [1,0,1,0,0,0|1,0,1]=4 143 B9R0.42 C=CC(C)CC(=O)C(C)C 1458a_100011934298_100000210206 [1,0,1,0,0,0|0,0,2]=4 144 B9R0.42 C=CC(C)CC(=O)N(C)C 11a_100102631434_100011934298 [1,0,1,0,0,0|1,0,1]=4 145 B9R0.42 C=CC(C)CC(=O)N(C)C 1626a_100102631434_100011934298 [1,0,1,0,0,0|1,0,1]=4 146 B9R0.42 C=CC(C)CC(=O)N(C)C 240690a_100102631434_100011934298 [1,0,1,0,0,0|1,0,1]=4 147 B9R0.42 C=CC(C)CC(=O)N(C)C 527a_100102631434_100011934298 [1,0,1,0,0,0|1,0,1]=4 148 B9R0.42 COC(=O)CC(C)C(=O)C 1458a_100000037256_200000210301 [1,0,1,0,0,0|2,0,0]=4 149 B9R0.42 COC(=O)CC(C)C(=O)[13CH3] 1458a_100000037256_200025704644 [1,0,1,0,0,0|2,0,0]=4 150 B9R0.7 C=C(C)C(=O)CC=C(C)C 1458a_100000185857_100000761012 [1,0,1,0,0,0|0,0,2]=4 151 B9R0.7 C=C(C)C(=O)CCC(C)C 1458a_100000185857_100000210312 [1,0,1,0,0,0|0,0,2]=4 152 B9R0.7 C=C(C)C(=O)CCC(C)O 1458a_100000185857_100012276601 [1,0,1,0,0,0|1,0,1]=4 153 B9R0.7 C=C(C)C(=O)NCC(=O)C 1458a_100000076187_200000210301 [1,0,1,0,0,0|2,0,0]=4 154 B9R0.7 C=C(C)C(=O)NCC(=O)[13CH3] 1458a_100000076187_200025704644 [1,0,1,0,0,0|2,0,0]=4 155 B9R0.7 C=C(C)CCC(=O)C(=C)C 1458a_100000185857_100000730704 [1,0,1,0,0,0|0,0,0]=2 156 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_100000210198_100000730704 [1,0,1,0,0,0|0,0,1]=3 157 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_200000688413_100000210206 [1,0,1,0,0,0|0,0,1]=3 158 B9R0.7 C=C(C)CCC(=O)C(C)F 1458a_100000062450_100000730704 [1,0,1,0,0,0|1,0,1]=4 159 B9R0.7 C=C(C)CCC(=O)N(C)C 11a_100102631434_200000688413 [1,0,1,0,0,0|1,0,0]=3 160 B9R0.7 C=C(C)CCC(=O)N(C)C 1626a_100102631434_200000688413 [1,0,1,0,0,0|1,0,0]=3 161 B9R0.7 C=C(C)CCC(=O)N(C)C 240690a_100102631434_200000688413 [1,0,1,0,0,0|1,0,0]=3 162 B9R0.7 C=C(C)CCC(=O)N(C)C 527a_100102631434_200000688413 [1,0,1,0,0,0|1,0,0]=3 163 B9R0.7 C=C(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000730704 [1,0,1,0,0,0|1,0,1]=4 164 B9R0.7 C=C(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000730704 [1,0,1,0,0,0|1,0,1]=4 165 B9R0.7 C=C(C)CNC(=O)C(=C)Br 11a_100000765925_100009813364 [1,0,1,0,0,0|2,0,0]=4 166 B9R0.7 C=C(C)CNC(=O)C(=C)Br 1626a_100000765925_100009813364 [1,0,1,0,0,0|2,0,0]=4 167 B9R0.7 C=C(C)CNC(=O)C(=C)C 11a_100000765925_100000185857 [1,0,1,0,0,0|1,0,0]=3 168 B9R0.7 C=C(C)CNC(=O)C(=C)C 1626a_100000765925_100000185857 [1,0,1,0,0,0|1,0,0]=3 169 B9R0.7 C=C(C)CNC(=O)C(=C)Cl 11a_100000765925_100000039160 [1,0,1,0,0,0|2,0,0]=4 170 B9R0.7 C=C(C)CNC(=O)C(=C)Cl 1626a_100000765925_100000039160 [1,0,1,0,0,0|2,0,0]=4 171 B9R0.7 C=C(C)CNC(=O)C(=C)F 11a_100000765925_100000036797 [1,0,1,0,0,0|2,0,0]=4 172 B9R0.7 C=C(C)CNC(=O)C(=C)F 1626a_100000765925_100000036797 [1,0,1,0,0,0|2,0,0]=4 173 B9R0.7 C=C(C)CNC(=O)C(C)C 11a_100000765925_100000210198 [1,0,1,0,0,0|1,0,1]=4 174 B9R0.7 C=C(C)CNC(=O)C(C)C 1626a_100000765925_100000210198 [1,0,1,0,0,0|1,0,1]=4 175 B9R0.7 C=C(C)CNC(=O)C(C)C 240690a_100000765925_100000210198 [1,0,1,0,0,0|1,0,1]=4 176 B9R0.7 C=C(C)CNC(=O)C(C)C 527a_100000765925_100000210198 [1,0,1,0,0,0|1,0,1]=4 177 B9R0.7 C=C(C)CNC(=O)N(C)C 2708a_100000765925_100102631434 [1,0,1,0,0,0|2,0,0]=4 178 B9R0.7 CC(=O)CCC(=O)N(C)C 1458a_100011200748_200000210301 [1,0,1,0,0,0|2,0,0]=4 179 B9R0.7 CC(=O)SC[C@@H](C)C(=O)C 1458a_200015407212_200000210301 [1,0,1,0,0,0|2,0,0]=4 180 B9R0.7 CC(=O)SC[C@@H](C)C(=O)[13CH3] 1458a_200015407212_200025704644 [1,0,1,0,0,0|2,0,0]=4 181 B9R0.7 CN(C)C(=O)CCC(=O)[13CH3] 1458a_100011200748_200025704644 [1,0,1,0,0,0|2,0,0]=4 182 B9R0.8 C#CCCC(=O)/C(=C/C)/C 1458a_100020587367_100000753159 [1,0,1,0,0,0|0,0,2]=4 183 B9R0.8 C/C=C(\C)/C(=O)CCC#N 1458a_100020587367_100011215226 [1,0,1,0,0,0|1,0,1]=4 184 B9R0.8 C/C=C(\C)/C(=O)CCCC 1458a_100020587367_100000210211 [1,0,1,0,0,0|0,0,1]=3 185 B9R0.8 C/C=C(\C)/C(=O)CCCF 1458a_100020587367_100011934791 [1,0,1,0,0,0|1,0,1]=4 186 B9R0.8 C/C=C(\C)/C(=O)CCCO 1458a_100020587367_100011215043 [1,0,1,0,0,0|1,0,1]=4 187 B9R0.8 C/C=C(\C)/C(=O)CCOC 1458a_100020587367_100000233755 [1,0,1,0,0,0|1,0,0]=3 188 B9R0.8 C/C=C(\C)/C(=O)CCSC 1458a_100020587367_100000751147 [1,0,1,0,0,0|1,0,0]=3 189 B9R0.8 C/C=C(\C)/C(=O)NCCC 11a_100020643023_100020587367 [1,0,1,0,0,0|1,0,1]=4 190 B9R0.8 C/C=C(\C)/C(=O)NCCC 1626a_100020643023_100020587367 [1,0,1,0,0,0|1,0,1]=4 191 B9R0.8 C/C=C/CC(=O)/C(=C/C)/C 1458a_100020587367_100102629194 [1,0,1,0,0,0|0,0,1]=3 192 B9R0.8 C=CCCC(=O)/C(=C/C)/C 1458a_100020587367_100000754431 [1,0,1,0,0,0|0,0,0]=2 193 B9R0.8 C=CCCC(=O)C(=O)NC 1458a_100011218921_100000754431 [1,0,1,0,0,0|2,0,0]=4 194 B9R0.8 C=CCCC(=O)C(C)C=C 1458a_100011216780_100000754431 [1,0,1,0,0,0|0,0,2]=4 195 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100000749702_100000758301 [1,0,1,0,0,0|0,0,2]=4 196 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100011192722_100000754431 [1,0,1,0,0,0|0,0,2]=4 197 B9R0.8 C=CCCC(=O)C(C)OC 1458a_100000743197_100000754431 [1,0,1,0,0,0|1,0,1]=4 198 B9R0.8 C=CCCC(=O)C(C)SC 1458a_100000149566_100000754431 [1,0,1,0,0,0|1,0,1]=4 199 B9R0.8 C=CCCC(=O)N(C)CC 11a_100000225621_100000749702 [1,0,1,0,0,0|1,0,1]=4 200 B9R0.8 C=CCCC(=O)N(C)CC 1626a_100000225621_100000749702 [1,0,1,0,0,0|1,0,1]=4 201 B9R0.8 C=CCCC(=O)N(C)CC 240690a_100000225621_100000749702 [1,0,1,0,0,0|1,0,1]=4 202 B9R0.8 C=CCCC(=O)N(C)CC 527a_100000225621_100000749702 [1,0,1,0,0,0|1,0,1]=4 203 B9R0.8 C=CCNC(=O)/C(=C/C)/C 1626a_100020586998_100020587367 [1,0,1,0,0,0|1,0,0]=3 204 B9R0.8 CC#CCC(=O)/C(=C/C)/C 1458a_100020587367_100000748600 [1,0,1,0,0,0|0,0,2]=4 205 B9R0.8 CC=CCC(=O)/C(=C/C)/C 1458a_100020587367_100000070051 [1,0,1,0,0,0|0,0,1]=3 206 B9R0.48 C=C(C)CCC(=O)C#CC 1458a_100000763181_100000730704 [1,0,1,0,0,0|0,0,2]=4 207 B9R0.48 C=C(C)CCC(=O)C=CBr 1458a_100016273825_100000730704 [1,0,1,0,0,0|1,0,0]=3 208 B9R0.48 C=C(C)CCC(=O)C=CC 1458a_100000210699_100000730704 [1,0,1,0,0,0|0,0,0]=2 209 B9R0.48 C=C(C)CCC(=O)C=CCl 1458a_200016279998_100000730704 [1,0,1,0,0,0|1,0,0]=3 210 B9R0.48 C=C(C)CCC(=O)C=CI 1458a_100016256311_100000730704 [1,0,1,0,0,0|1,0,0]=3 211 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [1,0,1,0,0,0|0,0,2]=4 212 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [1,0,1,0,0,0|0,0,2]=4 213 B9R0.48 C=C(C)CCC(=O)COC 1458a_100000210968_100000730704 [1,0,1,0,0,0|1,0,1]=4 214 B9R0.48 C=C(C)CCC(=O)CSC 1458a_100000184570_100000730704 [1,0,1,0,0,0|1,0,1]=4 215 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [1,0,1,0,0,0|1,0,1]=4 216 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [1,0,1,0,0,0|1,0,1]=4 217 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [1,0,1,0,0,0|1,0,1]=4 218 B9R0.48 C=C(C)CCC(=O)NNC 22a_100016993582_200000688413 [1,0,1,0,0,0|2,0,0]=4 219 B9R0.48 C=C(C)CNC(=O)C=CBr 1626a_100000765925_100016273825 [1,0,1,0,0,0|2,0,0]=4 220 B9R0.48 C=C(C)CNC(=O)C=CBr 240690a_100000765925_100016273825 [1,0,1,0,0,0|2,0,0]=4 221 B9R0.48 C=C(C)CNC(=O)C=CC 11a_100000765925_100000210699 [1,0,1,0,0,0|1,0,0]=3 222 B9R0.48 C=C(C)CNC(=O)C=CC 1626a_100000765925_100000210699 [1,0,1,0,0,0|1,0,0]=3 223 B9R0.48 C=C(C)CNC(=O)C=CC 240690a_100000765925_100000210699 [1,0,1,0,0,0|1,0,0]=3 224 B9R0.48 C=C(C)CNC(=O)C=CCl 11a_100000765925_200016279998 [1,0,1,0,0,0|2,0,0]=4 225 B9R0.48 C=C(C)CNC(=O)C=CCl 1626a_100000765925_200016279998 [1,0,1,0,0,0|2,0,0]=4 226 B9R0.48 C=C(C)CNC(=O)C=CCl 240690a_100000765925_200016279998 [1,0,1,0,0,0|2,0,0]=4 227 B9R0.48 C=C(C)CNC(=O)C=CI 1626a_100000765925_100016256311 [1,0,1,0,0,0|2,0,0]=4 228 B9R0.48 C=CCC(=O)CCC(=C)C 1458a_100000210193_100000730704 [1,0,1,0,0,0|0,0,2]=4 229 B9R0.48 C=CCC(=O)CCC(=C)C 1458a_200000688413_100000210623 [1,0,1,0,0,0|0,0,2]=4 230 B9R0.48 CC=CC(=O)CC=C(C)C 1458a_100000210699_100000761012 [1,0,1,0,0,0|0,0,2]=4 231 B9R0.48 CC=CC(=O)CCC(C)C 1458a_100000210699_100000210312 [1,0,1,0,0,0|0,0,2]=4 232 B9R0.48 CC=CC(=O)CCC(C)O 1458a_100000210699_100012276601 [1,0,1,0,0,0|1,0,1]=4 233 B9R0.47 C=CCCNC(C)C(=O)C 2230a_100015191253_100009814033 [1,0,1,0,0,0|1,0,1]=4 234 B9R0.47 C=CCCOC(C)C(=O)C 34a_100000212229_100000754431 [1,0,1,0,0,0|1,0,1]=4 235 B9R0.47 C=CCCSC(C)C(=O)C 62a_100000754431_100009814033 [1,0,1,0,0,0|1,0,1]=4 236 B9R0.47 C=CCCSC(C)C(=O)C 62a_100009814033_100000754431 [1,0,1,0,0,0|1,0,1]=4 237 B9R0.55 C=C(C)CCOCC(=O)C 34a_100000211253_100000730704 [1,0,1,0,0,0|1,0,1]=4 238 B9R1.6 CC(=O)[C@H]1CC=CCC1 1458a_100009820709_200000210301 [2,0,0,0,0,0|1,0,1]=4 239 B9R1.6 [13CH3]C(=O)[C@H]1CC=CCC1 1458a_100009820709_200025704644 [2,0,0,0,0,0|1,0,1]=4 240 B11R0.59 C=C(C)CCC(=O)/C(=C/CC)/C 1458a_100016988807_100000730704 [0,1,1,0,0,0|0,0,0]=2 241 B11R0.59 C=C(C)CCC(=O)/C(=N/OC)/C 1458a_100160996864_100000730704 [0,1,1,0,0,0|1,0,0]=3 242 B11R0.59 C=C(C)CCC(=O)C(=O)NCC 1458a_200011297158_100000730704 [0,1,1,0,0,0|1,0,1]=4 243 B11R0.59 C=C(C)CCC(=O)C(C)CCC 1458a_100000210906_100000730704 [0,1,1,0,0,0|0,0,2]=4 244 B11R0.59 C=C(C)CCC(=O)C(C)CCC 1458a_200000688413_100000766640 [0,1,1,0,0,0|0,0,2]=4 245 B11R0.59 C=C(C)CCC(=O)C(C)CCO 1458a_200000688413_100009893172 [0,1,1,0,0,0|0,0,2]=4 246 B11R0.59 C=C(C)CCC(=O)C(C)COC 1458a_100000751857_100000730704 [0,1,1,0,0,0|0,0,2]=4 247 B11R0.59 C=C(C)CCC(=O)C(C)COC 1458a_200000688413_100000765312 [0,1,1,0,0,0|0,0,2]=4 248 B11R0.59 C=C(C)CCC(=O)C(C)CSC 1458a_100000753918_100000730704 [0,1,1,0,0,0|0,0,2]=4 249 B11R0.59 C=C(C)CCC(=O)C(C)OCC 1458a_100000739345_100000730704 [0,1,1,0,0,0|0,0,2]=4 250 B11R0.59 C=C(C)CCC(=O)C(C)SCC 1458a_100000230601_100000730704 [0,1,1,0,0,0|0,0,2]=4 251 B11R0.59 C=C(C)CCC(=O)N(C)CCC 11a_100000747261_200000688413 [0,1,1,0,0,0|1,0,1]=4 252 B11R0.59 C=C(C)CCC(=O)N(C)CCC 1626a_100000747261_200000688413 [0,1,1,0,0,0|1,0,1]=4 253 B11R0.59 C=C(C)CCC(=O)N(C)CCC 240690a_100000747261_200000688413 [0,1,1,0,0,0|1,0,1]=4 254 B11R0.59 C=C(C)CCC(=O)N(C)CCC 527a_100000747261_200000688413 [0,1,1,0,0,0|1,0,1]=4 255 B11R0.59 C=C(C)CCC(=O)N(C)CCO 240690a_100000210263_200000688413 [0,1,1,0,0,0|1,0,1]=4 256 B11R0.59 C=C(C)CCC(=O)N(C)CCO 527a_100000210263_200000688413 [0,1,1,0,0,0|1,0,1]=4 257 B11R0.59 C=C(C)CNC(=O)/C(=C/CC)/C 11a_100000765925_100016988807 [0,1,1,0,0,0|1,0,0]=3 258 B11R0.59 C=C(C)CNC(=O)/C(=C/CC)/C 1626a_100000765925_100016988807 [0,1,1,0,0,0|1,0,0]=3 259 B11R0.59 C=C(C)CNC(=O)/C(=C/CC)/C 240690a_100000765925_100016988807 [0,1,1,0,0,0|1,0,0]=3 260 B11R0.59 C=C(C)CNC(=O)/C(=C/CC)/C 527a_100000765925_100016988807 [0,1,1,0,0,0|1,0,0]=3 261 B11R0.59 C=C(C)CNC(=O)/C(=N/OC)/C 11a_100000765925_100160996864 [0,1,1,0,0,0|2,0,0]=4 262 B11R0.59 C=C(C)CNC(=O)/C(=N/OC)/C 240690a_100000765925_100160996864 [0,1,1,0,0,0|2,0,0]=4 263 B11R0.59 C=CCC(C)C(=O)CCC(=C)C 1458a_100011216819_100000730704 [0,1,1,0,0,0|0,0,2]=4 264 B11R0.59 C=CCN(C)C(=O)CCC(=C)C 11a_100000225617_200000688413 [0,1,1,0,0,0|1,0,1]=4 265 B11R0.59 C=CCN(C)C(=O)CCC(=C)C 1626a_100000225617_200000688413 [0,1,1,0,0,0|1,0,1]=4 266 B11R0.59 C=CCN(C)C(=O)CCC(=C)C 240690a_100000225617_200000688413 [0,1,1,0,0,0|1,0,1]=4 267 B11R0.59 C=CCN(C)C(=O)CCC(=C)C 527a_100000225617_200000688413 [0,1,1,0,0,0|1,0,1]=4 268 B11R0.59 CC/C=C(\C)/C(=O)CC=C(C)C 1458a_100016988807_100000761012 [0,1,1,0,0,0|0,0,2]=4 269 B11R0.59 CC/C=C(\C)/C(=O)CCC(C)C 1458a_100016988807_100000210312 [0,1,1,0,0,0|0,0,2]=4 270 B11R0.59 CC/C=C(\C)/C(=O)CCC(C)O 1458a_100016988807_100012276601 [0,1,1,0,0,0|1,0,1]=4 271 B11R0.63 C/C=C(\C)/C(=O)C(C)CC(C)C 1458a_100020587367_100000731052 [0,1,1,0,0,0|0,0,2]=4 272 B11R0.63 C/C=C(\C)/C(=O)C(C)OC(=O)C 1458a_100020587367_100009818208 [0,1,1,0,0,0|2,0,0]=4 273 B11R0.63 C=C(C)CN(C)C(=O)/C(=C/C)/C 11a_100000225649_100020587367 [0,1,1,0,0,0|1,0,0]=3 274 B11R0.63 C=C(C)CN(C)C(=O)/C(=C/C)/C 1626a_100000225649_100020587367 [0,1,1,0,0,0|1,0,0]=3 275 B11R0.117 C/C=C(\C)/C(=O)CC(=O)C(=O)C 1458a_100020587367_100011261029 [0,1,1,0,0,0|1,0,1]=4 276 B11R0.120 C/C=C(\C)/C(=O)NCC(=O)NC 11a_100000693194_100020587367 [0,1,1,0,0,0|2,0,0]=4 277 B11R0.120 C/C=C(\C)/C(=O)NCC(=O)OC 188690a_100000185156_100020587367 [0,1,1,0,0,0|2,0,0]=4 278 B11R0.129 C=C(C)CCC(=O)C(C)(C)CC 1458a_100000749717_100000730704 [0,1,1,0,0,0|0,0,2]=4 279 B11R0.129 C=C(C)CCC(=O)C(C)(C)OC 1458a_100000753492_100000730704 [0,1,1,0,0,0|1,0,1]=4 280 B11R0.129 C=C(C)CCC(=O)C(C)(O)CC 1458a_100011219770_100000730704 [0,1,1,0,0,0|0,0,2]=4 281 B11R0.129 C=CC(C)(C)C(=O)CCC(=C)C 1458a_100012027013_100000730704 [0,1,1,0,0,0|0,0,2]=4 282 B11R0.171 C=C(C)CCC(=O)C(CC)CC 1458a_100000211163_100000730704 [0,1,1,0,0,0|0,0,2]=4 283 B11R0.171 C=C(C)CCC(=O)C(CC)CC 1458a_200000688413_100000210505 [0,1,1,0,0,0|0,0,2]=4 284 B11R0.171 C=C(C)CCC(=O)C(CC)OC 1458a_100000747056_100000730704 [0,1,1,0,0,0|0,0,2]=4 285 B11R0.171 C=C(C)CCC(=O)C(OC)OC 1458a_100000046285_100000730704 [0,1,1,0,0,0|1,0,1]=4 286 B11R0.171 C=C(C)CCC(=O)N(CC)CC 11a_100000724800_200000688413 [0,1,1,0,0,0|1,0,1]=4 287 B11R0.171 C=C(C)CCC(=O)N(CC)CC 1626a_100000724800_200000688413 [0,1,1,0,0,0|1,0,1]=4 288 B11R0.171 C=C(C)CCC(=O)N(CC)CC 240690a_100000724800_200000688413 [0,1,1,0,0,0|1,0,1]=4 289 B11R0.171 C=C(C)CCC(=O)N(CC)CC 527a_100000724800_200000688413 [0,1,1,0,0,0|1,0,1]=4 290 B11R0.173 C=C(C)CCC(=O)C(=O)N(C)C 1458a_100011218876_100000730704 [0,1,1,0,0,0|2,0,0]=4 291 B11R0.173 C=C(C)CCC(=O)C(C)C(=O)C 1458a_200000688413_100000179758 [0,1,1,0,0,0|0,0,1]=3 292 B11R0.173 C=C(C)CCC(=O)C(C)C(=O)N 1458a_200000688413_100000702099 [0,1,1,0,0,0|1,0,1]=4 293 B11R0.173 C=C(C)CCC(=O)C(C)C(C)C 1458a_100000755409_100000730704 [0,1,1,0,0,0|0,0,2]=4 294 B11R0.173 C=C(C)CCC(=O)N(C)C(C)C 11a_200000211004_200000688413 [0,1,1,0,0,0|1,0,1]=4 295 B11R0.173 C=C(C)CCC(=O)N(C)C(C)C 1626a_200000211004_200000688413 [0,1,1,0,0,0|1,0,1]=4 296 B11R0.173 C=C(C)CCC(=O)N(C)C(C)C 240690a_200000211004_200000688413 [0,1,1,0,0,0|1,0,1]=4 297 B11R0.173 C=C(C)CCC(=O)N(C)C(C)C 527a_200000211004_200000688413 [0,1,1,0,0,0|1,0,1]=4 298 B11R0.173 C=C(C)CCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000730704 [0,1,1,0,0,0|1,0,1]=4 299 B11R0.290 C/C=C(\C)/C(=O)CCC(C)(C)C 1458a_100020587367_100000755188 [0,1,1,0,0,0|0,0,2]=4 300 B11R0.290 C/C=C(\C)/C(=O)CCS(=O)(=O)C 1458a_100020587367_100000731031 [0,1,1,0,0,0|2,0,0]=4 301 B11R0.290 C/C=C(\C)/C(=O)CC[N+](C)(C)C 1458a_100020587367_100000085578 [0,1,1,0,0,0|1,0,1]=4 302 B11R0.290 C/C=C(\C)/C(=O)CC[Si](C)(C)C 1458a_100020587367_200000733723 [0,1,1,0,0,0|0,1,1]=4 303 B11R0.145 C=C(C)CCN[C@H](C)C(=O)NC 2230a_100000684985_100000730704 [0,1,1,0,0,0|1,0,1]=4 304 B11R0.145 C=C(C)CCN[C@H](C)C(=O)NC 34a_100000684985_100000730704 [0,1,1,0,0,0|1,0,1]=4 305 B11R0.145 C=C(C)CCOC(C)C(=O)NC 34a_100000764851_100000731044 [0,1,1,0,0,0|1,0,1]=4 306 B11R0.145 C=C(C)CCOC(C)C(=O)OC 34a_100000764851_100000211248 [0,1,1,0,0,0|1,0,1]=4 307 B11R0.145 C=C(C)CCOC(C)C(=O)OC 34a_100011215400_100000730704 [0,1,1,0,0,0|1,0,1]=4 308 B11R0.145 C=C(C)CCSC(C)C(=O)CC 62a_100000730704_100000742827 [0,1,1,0,0,0|1,0,1]=4 309 B11R0.145 C=C(C)CCSC(C)C(=O)CC 62a_100000742827_100000730704 [0,1,1,0,0,0|1,0,1]=4 310 B11R0.145 C=C(C)CCSC(C)C(=O)NC 62a_100000209862_100000730704 [0,1,1,0,0,0|1,0,1]=4 311 B11R0.145 C=C(C)CCSC(C)C(=O)NC 62a_100000730704_100000731044 [0,1,1,0,0,0|1,0,1]=4 312 B11R0.145 C=C(C)CCSC(C)C(=O)OC 62a_100000211248_100000730704 [0,1,1,0,0,0|1,0,1]=4 313 B11R0.145 C=C(C)CCSC(C)C(=O)OC 62a_100000730704_100000211248 [0,1,1,0,0,0|1,0,1]=4 314 B11R0.202 C=C(C)CCOC(C)(C)C(=O)C 34a_100000747739_100000730704 [0,1,1,0,0,0|1,0,1]=4 315 B11R0.202 C=C(C)CCOC(C)(C)C(=O)C 7a_100000747739_100000730704 [0,1,1,0,0,0|1,0,1]=4 316 B11R0.202 C=C(C)CCSC(C)(C)C(=O)C 62a_100000075568_100000730704 [0,1,1,0,0,0|1,0,1]=4 317 B11R0.202 C=C(C)CCSC(C)(C)C(=O)C 62a_100000730704_100000075568 [0,1,1,0,0,0|1,0,1]=4 318 B11R1.22 CC1=CCC(CC1)C(=O)CF 1458a_100000137427_100015361967 [1,1,0,0,0,0|1,0,1]=4 319 B11R1.22 CCC(=O)C1CC=C(CC1)C 1458a_100000137427_100000210202 [1,1,0,0,0,0|1,0,1]=4 320 B11R1.22 CNC(=O)C1CC=C(CC1)C 11a_106832991635_100000137427 [1,1,0,0,0,0|1,0,1]=4 321 B11R1.22 CNC(=O)C1CC=C(CC1)C 1626a_100102657272_100000137427 [1,1,0,0,0,0|1,0,1]=4 322 B11R1.22 CNC(=O)C1CC=C(CC1)C 240690a_100102657272_100000137427 [1,1,0,0,0,0|1,0,1]=4 323 B11R1.22 CNC(=O)C1CC=C(CC1)C 527a_100102657272_100000137427 [1,1,0,0,0,0|1,0,1]=4 324 B11R1.74 CC(=O)C1CC(=O)NC(=O)C1 1458a_100000044373_200000210301 [1,1,0,0,0,0|2,0,0]=4 325 B11R1.74 [13CH3]C(=O)C1CC(=O)NC(=O)C1 1458a_100000044373_200025704644 [1,1,0,0,0,0|2,0,0]=4 326 B11R1.48 C=C(C)c1cc(c(s1)C=O)C 271570a_100000694244_100010221198 [0,1,0,0,1,0|1,0,1]=4 327 B11R1.48 CCN1CC(CC1=O)C(=O)C 1458a_100000215766_200000210301 [0,1,0,0,1,0|2,0,0]=4 328 B11R1.48 CCN1CC(CC1=O)C(=O)[13CH3] 1458a_100000215766_200025704644 [0,1,0,0,1,0|2,0,0]=4 329 B11R1.226 CCC(=O)C1CC(=O)N(C1)C 1458a_100000187535_100000210202 [0,1,0,0,1,0|2,0,0]=4 330 B11R1.226 CN1CC(CC1=O)C(=O)CF 1458a_100000187535_100015361967 [0,1,0,0,1,0|2,0,0]=4 331 B11R1.226 CNC(=O)C1CC(=O)N(C1)C 11a_106832991635_100000187535 [0,1,0,0,1,0|2,0,0]=4 332 B11R1.226 CNC(=O)C1CC(=O)N(C1)C 1626a_100102657272_100000187535 [0,1,0,0,1,0|2,0,0]=4 333 B11R1.226 CNC(=O)C1CC(=O)N(C1)C 240690a_100102657272_100000187535 [0,1,0,0,1,0|2,0,0]=4 334 B11R1.226 CNC(=O)C1CC(=O)N(C1)C 527a_100102657272_100000187535 [0,1,0,0,1,0|2,0,0]=4 335 B13R1.354 C=C(C)C1CC=C(C(C1)OCC)C 34a_100000038928_100000210202 [0,2,0,0,0,0|0,0,2]=4 336 B13R1.354 C=C(C)C1CC=C(C(C1)OCC)C 7a_100000038928_100000210202 [0,2,0,0,0,0|0,0,2]=4 337 B13R1.354 C=C(C)C1CC=C(C(C1)OCF)C 34a_100000038928_100015361967 [0,2,0,0,0,0|0,0,2]=4 338 B13R1.354 C=C(C)C1CC=C(C(C1)OCF)C 7a_100000038928_100015361967 [0,2,0,0,0,0|0,0,2]=4 339 B11R1.103 C=C(C)CCC(=O)C1CC1C 1458a_100000211227_100000730704 [0,0,1,1,0,0|0,0,2]=4 340 B11R1.294 C/C=C(\C)/C(=O)CCC1CC1 1458a_100020587367_100000694398 [0,0,1,1,0,0|0,0,2]=4 341 B11R1.294 C/C=C(\C)/C(=O)CCC1CO1 1458a_100020587367_100000732470 [0,0,1,1,0,0|1,0,1]=4 342 B11R1.296 C=C1CC(C1)C(=O)C(C)CC 1458a_100000065620_100000758301 [0,0,1,1,0,0|0,0,2]=4 343 B11R1.296 C=C1CC(C1)C(=O)N(C)CC 11a_100000225621_100000065620 [0,0,1,1,0,0|1,0,1]=4 344 B11R1.296 C=C1CC(C1)C(=O)N(C)CC 1626a_100000225621_100000065620 [0,0,1,1,0,0|1,0,1]=4 345 B11R1.296 C=C1CC(C1)C(=O)N(C)CC 240690a_100000225621_100000065620 [0,0,1,1,0,0|1,0,1]=4 346 B11R1.296 C=C1CC(C1)C(=O)N(C)CC 527a_100000225621_100000065620 [0,0,1,1,0,0|1,0,1]=4 347 B11R1.346 C=C(C)CCC(=O)C1CCC1 1458a_100000209988_100000730704 [0,0,1,1,0,0|0,0,2]=4 348 B11R1.346 C=C(C)CCC(=O)C1CCC1 1458a_200000688413_100000749161 [0,0,1,1,0,0|0,0,2]=4 349 B11R1.346 C=C(C)CCC(=O)C1CCO1 1458a_100000089072_100000730704 [0,0,1,1,0,0|1,0,1]=4 350 B11R1.346 C=C(C)CCC(=O)N1CCC1 11a_100000754969_200000688413 [0,0,1,1,0,0|1,0,1]=4 351 B11R1.346 C=C(C)CCC(=O)N1CCC1 240690a_100000754969_200000688413 [0,0,1,1,0,0|1,0,1]=4 352 B11R1.346 C=C(C)CCC(=O)N1CCC1 527a_100000754969_200000688413 [0,0,1,1,0,0|1,0,1]=4 353 B11R1.347 C=C(C)CCC(=O)C1(CC1)C 1458a_100000756474_100000730704 [0,0,1,1,0,0|0,0,2]=4 354 B11R1.153 C=C1CC(C1)NC(C)C(=O)C 2230a_100132301982_100009814033 [0,0,1,1,0,0|1,0,1]=4 355 B11R1.161 C=C(C)CCOC1CCC1=O 34a_100000764851_100009892977 [0,0,1,1,0,0|1,0,1]=4 356 B11R1.161 C=C(C)CCSC1CCC1=O 62a_100000730704_100009892977 [0,0,1,1,0,0|1,0,1]=4 357 B11R1.161 C=C(C)CCSC1CCC1=O 62a_100009892977_100000730704 [0,0,1,1,0,0|1,0,1]=4 358 B9R0.23 C/C=C(\C)/C(=O)CC(=O)N 1458a_100020587367_100000187820 [0,0,1,0,1,0|2,0,0]=4 359 B9R0.23 C/C=C(\C)/C(=O)CC(=O)[O-] 1458a_100020587367_100020667443 [0,0,1,0,1,0|2,0,0]=4 360 B9R0.23 C/C=C(\C)/C(=O)CC(C)C 1458a_100020587367_100000210624 [0,0,1,0,1,0|0,0,2]=4 361 B9R0.23 C/C=C(\C)/C(=O)CC(C)O 1458a_100020587367_100011218427 [0,0,1,0,1,0|1,0,1]=4 362 B9R0.23 C=C(C)CC(=O)/C(=C/C)/C 1458a_100020587367_100000748629 [0,0,1,0,1,0|0,0,0]=2 363 B9R0.23 C=C(C)CC(=O)C(=O)NC 1458a_100011218921_100000748629 [0,0,1,0,1,0|2,0,0]=4 364 B9R0.23 C=C(C)CC(=O)C(C)CC 1458a_100011192722_100000748629 [0,0,1,0,1,0|0,0,2]=4 365 B9R0.23 C=C(C)CC(=O)C(C)OC 1458a_100000743197_100000748629 [0,0,1,0,1,0|1,0,1]=4 366 B9R0.23 C=C(C)CC(=O)C(C)SC 1458a_100000149566_100000748629 [0,0,1,0,1,0|1,0,1]=4 367 B9R0.23 C=C(F)CC(=O)/C(=C/C)/C 1458a_100020587367_100009893438 [0,0,1,0,1,0|1,0,0]=3 368 B9R0.23 C=CC(C)C(=O)CC(=C)C 1458a_100011216780_100000748629 [0,0,1,0,1,0|0,0,2]=4 369 B9R0.79 C=C(C)C(=O)C(C)C(=O)C 1458a_100000185857_100000179758 [0,0,1,0,1,0|1,0,0]=3 370 B9R0.79 C=C(C)C(=O)C(C)C(=O)N 1458a_100000185857_100000702099 [0,0,1,0,1,0|2,0,0]=4 371 B9R1.35 C=C(C)c1cc(cs1)C 271570a_100000694244_100009876951 [1,0,0,0,1,0|1,0,1]=4 372 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200009893386_200025704644 [1,0,0,0,1,0|2,0,0]=4 373 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200025704644_200009893386 [1,0,0,0,1,0|2,0,0]=4 374 B9R1.23 CN1CC(CC1=O)N[13CH3] 2230a_100000748898_200025704644 [1,0,0,0,1,0|2,0,0]=4 375 B9R1.23 CN1CC(CC1=O)N[13CH3] 34a_100000748898_200025704644 [1,0,0,0,1,0|2,0,0]=4 376 B9R1.23 CNC1C=C(C(=O)O1)C 2230a_106832991635_200009893386 [1,0,0,0,1,0|2,0,0]=4 377 B9R1.23 CNC1CC(=O)N(C1)C 2230a_100000748898_200000210301 [1,0,0,0,1,0|2,0,0]=4 378 B9R1.23 CNC1CC(=O)N(C1)C 34a_100000748898_200000210301 [1,0,0,0,1,0|2,0,0]=4 379 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200000210301_200009893386 [1,0,0,0,1,0|2,0,0]=4 380 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200009893386_200000210301 [1,0,0,0,1,0|2,0,0]=4 381 B11R0.93 C=C(C)CCC(=O)C=C(C)CC 1458a_100020758463_100000730704 [0,0,1,0,0,1|0,0,1]=3 382 B11R0.93 C=C(C)CCC(=O)CC(=O)CC 1458a_200000688413_100000747405 [0,0,1,0,0,1|1,0,1]=4 383 B11R0.93 C=C(C)CCC(=O)CC(=O)NC 1458a_200000688413_100000183359 [0,0,1,0,0,1|2,0,0]=4 384 B11R0.93 C=C(C)CCC(=O)CC(=O)OC 1458a_100000211351_100000730704 [0,0,1,0,0,1|2,0,0]=4 385 B11R0.93 C=C(C)CCC(=O)CC(=O)OC 1458a_200000688413_100000747449 [0,0,1,0,0,1|2,0,0]=4 386 B11R0.93 C=C(C)CCC(=O)CC(C)CC 1458a_100000708755_100000730704 [0,0,1,0,0,1|0,0,2]=4 387 B11R0.93 C=C(C)CCC(=O)CC(C)CC 1458a_200000688413_100000748023 [0,0,1,0,0,1|0,0,2]=4 388 B11R0.93 C=C(C)CCC(=O)CN(C)CC 1458a_100116209913_100000730704 [0,0,1,0,0,1|1,0,1]=4 389 B11R0.93 C=C(C)CCC(=O)C[C@@H](C)CC 1458a_200000688413_100009816398 [0,0,1,0,0,1|0,0,2]=4 390 B11R0.93 C=C(C)CCC(=O)NC(C)CC 11a_100000209981_200000688413 [0,0,1,0,0,1|0,0,2]=4 391 B11R0.93 C=C(C)CCC(=O)NC(C)CC 1626a_100000209981_200000688413 [0,0,1,0,0,1|0,0,2]=4 392 B11R0.93 C=C(C)CCC(=O)NC(C)CC 240690a_100000209981_200000688413 [0,0,1,0,0,1|0,0,2]=4 393 B11R0.93 C=C(C)CCC(=O)NC(C)CC 527a_100000209981_200000688413 [0,0,1,0,0,1|0,0,2]=4 394 B11R0.93 C=C(C)CNC(=O)C=C(C)CC 11a_100000765925_100020758463 [0,0,1,0,0,1|1,0,1]=4 395 B11R0.93 C=C(C)CNC(=O)C=C(C)CC 1626a_100000765925_100020758463 [0,0,1,0,0,1|1,0,1]=4 396 B11R0.93 C=C(C)CNC(=O)C=C(C)CC 240690a_100000765925_100020758463 [0,0,1,0,0,1|1,0,1]=4 397 B11R0.93 C=CC(C)CC(=O)CCC(=C)C 1458a_100011934298_100000730704 [0,0,1,0,0,1|0,0,2]=4 398 B11R0.6 C=C(C)CCSC(C)OC(=O)C 62a_100000730704_100009818208 [0,0,1,0,0,1|1,0,1]=4 399 B11R0.6 C=C(C)CCSC(C)OC(=O)C 62a_100009818208_100000730704 [0,0,1,0,0,1|1,0,1]=4 400 B11R0.29 C=C(C)CCOCC(=O)C(=O)C 34a_100000764851_100011261029 [0,0,1,0,0,1|1,0,1]=4 401 B11R0.29 C=C(C)CCOCC(C)C(=O)C 34a_100000032740_100000730704 [0,0,1,0,0,1|0,0,2]=4 402 B11R0.29 C=C(C)CCOCC(C)C(=O)C 7a_100000032740_100000730704 [0,0,1,0,0,1|0,0,2]=4 403 B11R0.29 C=C(C)CCSCC(=O)C(=O)C 62a_100000730704_100011261029 [0,0,1,0,0,1|1,0,1]=4 404 B11R0.29 C=C(C)CCSCC(=O)C(=O)C 62a_100011261029_100000730704 [0,0,1,0,0,1|1,0,1]=4 405 B11R1.20 C=C(C)CN1CC=C(CC1)C 2230a_100000693516_100000748629 [1,0,0,0,0,1|1,0,1]=4 406 B11R1.20 C=C(C)CN1CC=C(CC1)C 269982a_100000693516_100000748629 [1,0,0,0,0,1|1,0,1]=4 407 B11R1.20 C=C(C)CN1CC=C(CC1)C 34a_100000693516_100000748629 [1,0,0,0,0,1|1,0,1]=4 408 B13R1.511 C=C(C)CNC1CCN(C(=O)C1)C 2230a_100000126938_100000748629 [0,0,0,0,0,2|1,0,1]=4 409 B13R1.511 C=C(C)CNC1CCN(C(=O)C1)C 34a_100000126938_100000748629 [0,0,0,0,0,2|1,0,1]=4