0 B11R1.19 CC(C)(C)c1ccc(cc1)O 271570a_203496583355_100011215385 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.19 CC(C)(C)c1ccc(cn1)O 271570a_203496583355_100010245212 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.19 CC(C)(N)c1ccc(cc1)O 271570a_203496583355_100000739617 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.19 CC(C)(O)C1CCN(CC1)[13CH3] 2230a_100025784243_200025704644 [0,0,0,0,0,0|1,0,3]=4 4 B11R1.19 CC(C)(O)C1CCN(CC1)[13CH3] 269982a_100025784243_200025704644 [0,0,0,0,0,0|1,0,3]=4 5 B11R1.19 CC(C)(O)C1CCN(CC1)[13CH3] 34a_100025784243_200025704644 [0,0,0,0,0,0|1,0,3]=4 6 B11R1.19 CC(C)(O)c1ccc(cc1)O 271570a_203496583355_100000753367 [0,0,0,0,0,0|1,0,2]=3 7 B11R1.19 CC(C)(O)c1ccc(cn1)O 271570a_203496583355_100010246419 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.19 CC(C)(O)c1ccc(nc1)O 271570a_203496583355_100010080785 [0,0,0,0,0,0|2,0,2]=4 9 B11R1.19 CC(C)(O)c1ncc(cn1)O 271570a_203496583355_100010115376 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.19 CC1=CCN(CC1)C(C)(C)C 269982a_100000693516_100000210625 [0,0,0,0,0,0|2,0,2]=4 11 B11R1.19 CC1=CCN(CC1)C(C)(C)C 34a_100000693516_100000210625 [0,0,0,0,0,0|2,0,2]=4 12 B11R1.19 CN1CCC(CC1)C(C)(C)O 2230a_100025784243_200000210301 [0,0,0,0,0,0|1,0,3]=4 13 B11R1.19 CN1CCC(CC1)C(C)(C)O 269982a_100025784243_200000210301 [0,0,0,0,0,0|1,0,3]=4 14 B11R1.19 CN1CCC(CC1)C(C)(C)O 34a_100025784243_200000210301 [0,0,0,0,0,0|1,0,3]=4 15 B10R1.13 CC(C)c1ccc(cc1)O 271570a_203496583355_100000750031 [1,0,0,0,0,0|1,0,2]=4 16 B10R1.13 CC(C)c1ccc(cn1)O 271570a_203496583355_100010255768 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [1,0,0,0,0,0|1,0,2]=4 18 B10R1.13 CC(O)c1ccc(cn1)O 271570a_203496583355_100012353650 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.13 CC1=CCN(CC1)C(C)C 2230a_100000693516_100000210206 [1,0,0,0,0,0|1,0,2]=4 20 B10R1.13 CC1=CCN(CC1)C(C)C 269982a_100000693516_100000210206 [1,0,0,0,0,0|1,0,2]=4 21 B10R1.13 CC1=CCN(CC1)C(C)C 34a_100000693516_100000210206 [1,0,0,0,0,0|1,0,2]=4 22 B10R1.13 Cc1ccc(cc1)N(C)C 2230a_100000219977_200000210301 [1,0,0,0,0,0|1,0,2]=4 23 B10R1.13 Cc1ccc(cc1)N(C)C 269982a_100000219977_200000210301 [1,0,0,0,0,0|1,0,2]=4 24 B10R1.13 Cc1ccc(cc1)N(C)C 34a_100000219977_200000210301 [1,0,0,0,0,0|1,0,2]=4 25 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 2230a_100000219977_200025704644 [1,0,0,0,0,0|1,0,2]=4 26 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 269982a_100000219977_200025704644 [1,0,0,0,0,0|1,0,2]=4 27 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 34a_100000219977_200025704644 [1,0,0,0,0,0|1,0,2]=4 28 B12R1.6 C=Cc1ccc(cc1)C(C)(C)O 271570a_100011290941_100000753367 [0,1,0,0,0,0|0,0,3]=4 29 B12R1.6 C=Cc1ccc(nc1)C(C)(C)O 271570a_100011290941_100010246419 [0,1,0,0,0,0|1,0,2]=4 30 B12R1.6 CC(C)(C)c1ccc(cc1)N[13CH3] 2230a_100000210346_200025704644 [0,1,0,0,0,0|1,0,2]=4 31 B12R1.6 CC(C)(C)c1ccc(cc1)N[13CH3] 34a_100000210346_200025704644 [0,1,0,0,0,0|1,0,2]=4 32 B12R1.6 CC(C)(C)c1ccc(cc1)N[13CH3] 7a_100000210346_200025704644 [0,1,0,0,0,0|1,0,2]=4 33 B12R1.6 CC(C)(C)c1ccc(cc1)O[13CH3] 34a_100000185729_200025704644 [0,1,0,0,0,0|1,0,2]=4 34 B12R1.6 CC(C)(C)c1ccc(cc1)O[13CH3] 7a_100000185729_200025704644 [0,1,0,0,0,0|1,0,2]=4 35 B12R1.6 CC(C)(C)c1ccc(cc1)S[13CH3] 62a_100011215385_200025704644 [0,1,0,0,0,0|1,0,2]=4 36 B12R1.6 CC(C)(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100011215385 [0,1,0,0,0,0|1,0,2]=4 37 B12R1.6 CC(C)(C)c1ccc(cn1)S[13CH3] 62a_100010245212_200025704644 [0,1,0,0,0,0|2,0,1]=4 38 B12R1.6 CC(C)(C)c1ccc(cn1)S[13CH3] 62a_200025704644_100010245212 [0,1,0,0,0,0|2,0,1]=4 39 B12R1.6 CC(C)(N)c1ccc(cc1)S[13CH3] 62a_100000739617_200025704644 [0,1,0,0,0,0|1,0,2]=4 40 B12R1.6 CC(C)(N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000739617 [0,1,0,0,0,0|1,0,2]=4 41 B12R1.6 CC(C)(O)c1ccc(cc1)O[13CH3] 34a_100000695648_200025704644 [0,1,0,0,0,0|0,0,2]=3 42 B12R1.6 CC(C)(O)c1ccc(cc1)O[13CH3] 7a_100000695648_200025704644 [0,1,0,0,0,0|0,0,2]=3 43 B12R1.6 CC(C)(O)c1ccc(cc1)S[13CH3] 62a_100000753367_200025704644 [0,1,0,0,0,0|0,0,2]=3 44 B12R1.6 CC(C)(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000753367 [0,1,0,0,0,0|0,0,2]=3 45 B12R1.6 CC(C)(O)c1ccc(cn1)S[13CH3] 62a_100010246419_200025704644 [0,1,0,0,0,0|1,0,1]=3 46 B12R1.6 CC(C)(O)c1ccc(cn1)S[13CH3] 62a_200025704644_100010246419 [0,1,0,0,0,0|1,0,1]=3 47 B12R1.6 CC(C)(O)c1ccc(nc1)S[13CH3] 62a_100010080785_200025704644 [0,1,0,0,0,0|1,0,2]=4 48 B12R1.6 CC(C)(O)c1ccc(nc1)S[13CH3] 62a_200025704644_100010080785 [0,1,0,0,0,0|1,0,2]=4 49 B12R1.6 CC(C)(O)c1ncc(cn1)S[13CH3] 62a_100010115376_200025704644 [0,1,0,0,0,0|2,0,1]=4 50 B12R1.6 CC(C)(O)c1ncc(cn1)S[13CH3] 62a_200025704644_100010115376 [0,1,0,0,0,0|2,0,1]=4 51 B12R1.6 CNc1ccc(cc1)C(C)(C)C 2230a_100000210346_200000210301 [0,1,0,0,0,0|1,0,2]=4 52 B12R1.6 CNc1ccc(cc1)C(C)(C)C 34a_100000210346_200000210301 [0,1,0,0,0,0|1,0,2]=4 53 B12R1.6 CNc1ccc(cc1)C(C)(C)C 7a_100000210346_200000210301 [0,1,0,0,0,0|1,0,2]=4 54 B12R1.6 CNc1cnc(nc1)C(C)(C)O 27a_100102657272_100010115376 [0,1,0,0,0,0|2,0,1]=4 55 B12R1.6 COc1ccc(cc1)C(C)(C)C 34a_100000185729_200000210301 [0,1,0,0,0,0|1,0,2]=4 56 B12R1.6 COc1ccc(cc1)C(C)(C)C 7a_100000185729_200000210301 [0,1,0,0,0,0|1,0,2]=4 57 B12R1.6 COc1ccc(cc1)C(C)(C)O 34a_100000695648_200000210301 [0,1,0,0,0,0|0,0,2]=3 58 B12R1.6 COc1ccc(cc1)C(C)(C)O 7a_100000695648_200000210301 [0,1,0,0,0,0|0,0,2]=3 59 B12R1.6 CSc1ccc(cc1)C(C)(C)C 62a_100011215385_200000210301 [0,1,0,0,0,0|1,0,2]=4 60 B12R1.6 CSc1ccc(cc1)C(C)(C)C 62a_200000210301_100011215385 [0,1,0,0,0,0|1,0,2]=4 61 B12R1.6 CSc1ccc(cc1)C(C)(C)N 62a_100000739617_200000210301 [0,1,0,0,0,0|1,0,2]=4 62 B12R1.6 CSc1ccc(cc1)C(C)(C)N 62a_200000210301_100000739617 [0,1,0,0,0,0|1,0,2]=4 63 B12R1.6 CSc1ccc(cc1)C(C)(C)O 62a_100000753367_200000210301 [0,1,0,0,0,0|0,0,2]=3 64 B12R1.6 CSc1ccc(cc1)C(C)(C)O 62a_200000210301_100000753367 [0,1,0,0,0,0|0,0,2]=3 65 B12R1.6 CSc1ccc(cn1)C(C)(C)O 62a_100010080785_200000210301 [0,1,0,0,0,0|1,0,2]=4 66 B12R1.6 CSc1ccc(cn1)C(C)(C)O 62a_200000210301_100010080785 [0,1,0,0,0,0|1,0,2]=4 67 B12R1.6 CSc1ccc(nc1)C(C)(C)C 62a_100010245212_200000210301 [0,1,0,0,0,0|2,0,1]=4 68 B12R1.6 CSc1ccc(nc1)C(C)(C)C 62a_200000210301_100010245212 [0,1,0,0,0,0|2,0,1]=4 69 B12R1.6 CSc1ccc(nc1)C(C)(C)O 62a_100010246419_200000210301 [0,1,0,0,0,0|1,0,1]=3 70 B12R1.6 CSc1ccc(nc1)C(C)(C)O 62a_200000210301_100010246419 [0,1,0,0,0,0|1,0,1]=3 71 B12R1.6 CSc1cnc(nc1)C(C)(C)O 62a_100010115376_200000210301 [0,1,0,0,0,0|2,0,1]=4 72 B12R1.6 CSc1cnc(nc1)C(C)(C)O 62a_200000210301_100010115376 [0,1,0,0,0,0|2,0,1]=4 73 B12R1.9 CC(C)(O[13CH3])c1ccc(cc1)Br 34a_100000753367_200025704644 [0,1,0,0,0,0|1,0,2]=4 74 B12R1.9 CC(C)(O[13CH3])c1ccc(cc1)Br 7a_100000753367_200025704644 [0,1,0,0,0,0|1,0,2]=4 75 B12R1.9 CC(C)(O[13CH3])c1ccc(cc1)Cl 34a_100000750429_200025704644 [0,1,0,0,0,0|1,0,2]=4 76 B12R1.9 CC(C)(O[13CH3])c1ccc(cc1)Cl 7a_100000750429_200025704644 [0,1,0,0,0,0|1,0,2]=4 77 B12R1.9 CC(C)(O[13CH3])c1ccc(cc1)F 34a_100011219992_200025704644 [0,1,0,0,0,0|1,0,2]=4 78 B12R1.9 CC(C)(O[13CH3])c1ccc(cc1)F 7a_100011219992_200025704644 [0,1,0,0,0,0|1,0,2]=4 79 B12R1.9 CC(C)(O[13CH3])c1ccc(cn1)Br 7a_100010246419_200025704644 [0,1,0,0,0,0|2,0,1]=4 80 B12R1.9 CC1=CC[C@H](CC1)C(C)(C)O[13CH3] 34a_100015539799_200025704644 [0,1,0,0,0,0|0,0,2]=3 81 B12R1.9 CC1=CC[C@H](CC1)C(C)(C)O[13CH3] 7a_100015539799_200025704644 [0,1,0,0,0,0|0,0,2]=3 82 B12R1.9 CNC(C)(C)c1ccc(cc1)C 2230a_200011345931_200000210301 [0,1,0,0,0,0|1,0,2]=4 83 B12R1.9 CNC(C)(C)c1ccc(cc1)C 34a_200011345931_200000210301 [0,1,0,0,0,0|1,0,2]=4 84 B12R1.9 COC(C)(C)[C@@H]1CC=C(CC1)C 34a_100015539799_200000210301 [0,1,0,0,0,0|0,0,2]=3 85 B12R1.9 COC(C)(C)[C@@H]1CC=C(CC1)C 7a_100015539799_200000210301 [0,1,0,0,0,0|0,0,2]=3 86 B12R1.9 COC(C)(C)c1ccc(cc1)Br 34a_100000753367_200000210301 [0,1,0,0,0,0|1,0,2]=4 87 B12R1.9 COC(C)(C)c1ccc(cc1)Br 7a_100000753367_200000210301 [0,1,0,0,0,0|1,0,2]=4 88 B12R1.9 COC(C)(C)c1ccc(cc1)C 34a_200011345916_200000210301 [0,1,0,0,0,0|0,0,2]=3 89 B12R1.9 COC(C)(C)c1ccc(cc1)C 7a_200011345916_200000210301 [0,1,0,0,0,0|0,0,2]=3 90 B12R1.9 COC(C)(C)c1ccc(cc1)Cl 34a_100000750429_200000210301 [0,1,0,0,0,0|1,0,2]=4 91 B12R1.9 COC(C)(C)c1ccc(cc1)Cl 7a_100000750429_200000210301 [0,1,0,0,0,0|1,0,2]=4 92 B12R1.9 COC(C)(C)c1ccc(cc1)F 34a_100011219992_200000210301 [0,1,0,0,0,0|1,0,2]=4 93 B12R1.9 COC(C)(C)c1ccc(cc1)F 7a_100011219992_200000210301 [0,1,0,0,0,0|1,0,2]=4 94 B12R1.9 COC(C)(C)c1ccc(cn1)Br 7a_100010246419_200000210301 [0,1,0,0,0,0|2,0,1]=4 95 B12R1.9 Cc1ccc(cc1)C(C)(C)N[13CH3] 2230a_200011345931_200025704644 [0,1,0,0,0,0|1,0,2]=4 96 B12R1.9 Cc1ccc(cc1)C(C)(C)N[13CH3] 34a_200011345931_200025704644 [0,1,0,0,0,0|1,0,2]=4 97 B12R1.9 Cc1ccc(cc1)C(C)(C)O[13CH3] 34a_200011345916_200025704644 [0,1,0,0,0,0|0,0,2]=3 98 B12R1.9 Cc1ccc(cc1)C(C)(C)O[13CH3] 7a_200011345916_200025704644 [0,1,0,0,0,0|0,0,2]=3 99 B10R0.12 C=C(C)CCC(=O)C(C)(C)O 1458a_100000242741_100000730704 [0,0,1,0,0,0|1,0,2]=4 100 B10R0.12 C=C(C)CN[C@@H](C)C(C)(C)O 2230a_100025708725_100000748629 [0,0,1,0,0,0|1,0,1]=3 101 B10R0.12 C=C(C)CN[C@H](C)C(C)(C)C 2230a_100025703359_100000748629 [0,0,1,0,0,0|2,0,1]=4 102 B10R0.12 C=C(F)CN[C@@H](C)C(C)(C)O 2230a_100025708725_100009893438 [0,0,1,0,0,0|2,0,1]=4 103 B10R0.12 CC(=CCC(=O)C(C)(C)O)C 1458a_100000242741_100000761012 [0,0,1,0,0,0|1,0,2]=4 104 B10R0.12 CC(=O)NC[C@@H](F)C(C)(C)O 1626a_100015379105_100015343762 [0,0,1,0,0,0|3,0,0]=4 105 B10R0.12 CC(=O)NC[C@@H](F)C(C)(C)O 527a_100015379105_100103153847 [0,0,1,0,0,0|3,0,0]=4 106 B10R0.60 C/C=C(\C)/C=NNC(C)(C)C 4a_100000725372_100020587592 [0,0,1,0,0,0|3,0,0]=4 107 B10R0.60 C=CC(=O)NCCC(C)(C)C 1626a_100000738805_100000185746 [0,0,1,0,0,0|3,0,0]=4 108 B10R0.60 C=CC(=O)NCCC(C)(C)C 240690a_100000738805_200121576911 [0,0,1,0,0,0|3,0,0]=4 109 B10R0.60 C=CC(=O)NCCC(C)(C)F 1626a_100016253952_100000185746 [0,0,1,0,0,0|3,0,0]=4 110 B10R0.60 C=CC(=O)NCCC(C)(C)F 240690a_100016253952_200121576911 [0,0,1,0,0,0|3,0,0]=4 111 B10R0.60 C=CC(=O)NCCC(C)(C)O 1626a_100000707701_100000185746 [0,0,1,0,0,0|2,0,0]=3 112 B10R0.60 C=CC(C)COCC(C)(C)O 34a_100011215527_100000764493 [0,0,1,0,0,0|1,0,2]=4 113 B10R0.60 C=CC(C)COCC(C)(C)O 7a_100011215527_100000764493 [0,0,1,0,0,0|1,0,2]=4 114 B10R0.60 C=CC(C)OCCC(C)(C)C 34a_100000695699_100000755188 [0,0,1,0,0,0|2,0,1]=4 115 B10R0.60 C=CC(C)OCCC(C)(C)O 34a_100000695699_100000702414 [0,0,1,0,0,0|1,0,1]=3 116 B10R0.60 C=CC(C)SCCC(C)(C)C 62a_100011215867_100000755188 [0,0,1,0,0,0|2,0,1]=4 117 B10R0.60 C=CC(C)SCCC(C)(C)O 62a_100011215867_100000702414 [0,0,1,0,0,0|1,0,1]=3 118 B10R1.55 CC(C)(O)[C@@H]1CCN(C1)[13CH3] 2230a_100132313854_200025704644 [0,0,0,0,1,0|1,0,2]=4 119 B10R1.55 CC(C)(O)[C@@H]1CCN(C1)[13CH3] 269982a_100132313854_200025704644 [0,0,0,0,1,0|1,0,2]=4 120 B10R1.55 CC(C)(O)[C@@H]1CCN(C1)[13CH3] 34a_100132313854_200025704644 [0,0,0,0,1,0|1,0,2]=4 121 B10R1.55 CN1CC[C@H](C1)C(C)(C)O 2230a_100132313854_200000210301 [0,0,0,0,1,0|1,0,2]=4 122 B10R1.55 CN1CC[C@H](C1)C(C)(C)O 269982a_100132313854_200000210301 [0,0,0,0,1,0|1,0,2]=4 123 B10R1.55 CN1CC[C@H](C1)C(C)(C)O 34a_100132313854_200000210301 [0,0,0,0,1,0|1,0,2]=4 124 B12R1.106 CC1=CCN(CC1)CC(C)(C)O 34a_100000693516_100000764493 [0,0,0,0,0,1|1,0,2]=4 125 B12R1.106 Cc1ccc(cc1)NC(C)(C)C 34a_100000124888_100000210625 [0,0,0,0,0,1|1,0,2]=4 126 B12R1.106 Cc1ccc(cc1)OC(C)(C)C 34a_100000210336_100000210625 [0,0,0,0,0,1|1,0,2]=4 127 B12R1.106 Cc1ccc(cc1)SC(C)(C)C 62a_100000186775_100000211941 [0,0,0,0,0,1|1,0,2]=4 128 B12R1.106 Cc1ccc(cc1)SC(C)(C)C 62a_100000211941_100000186775 [0,0,0,0,0,1|1,0,2]=4 129 B12R1.106 Cc1ccc(nc1)OC(C)(C)C 34a_100000759353_100000210625 [0,0,0,0,0,1|2,0,1]=4 130 B12R1.106 Cc1ccc(nc1)SC(C)(C)C 62a_100000211941_100000754016 [0,0,0,0,0,1|2,0,1]=4 131 B12R1.106 Cc1ccc(nc1)SC(C)(C)C 62a_100011192072_100000211941 [0,0,0,0,0,1|2,0,1]=4 132 B9R0.3 C/C=C/CC(=O)C(C)(C)O 1458a_100000242741_100102629194 [1,0,1,0,0,0|1,0,1]=4 133 B9R0.3 C=CCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000210623 [1,0,1,0,0,0|1,0,1]=4 134 B9R0.3 CC=CCC(=O)C(C)(C)O 1458a_100000242741_100000070051 [1,0,1,0,0,0|1,0,1]=4 135 B9R0.7 C=C(C)CNC(C)C(C)C 2230a_100000211541_100000748629 [1,0,1,0,0,0|1,0,1]=4 136 B9R0.7 C=C(C)COC(C)C(C)C 7a_100000748068_100000748629 [1,0,1,0,0,0|1,0,1]=4 137 B9R0.56 C=C(C)CNCC(C)(C)O 2230a_100000751335_100000748629 [1,0,1,0,0,0|1,0,1]=4 138 B9R0.56 C=C(C)COCC(C)(C)O 34a_100000210245_100000764493 [1,0,1,0,0,0|1,0,1]=4 139 B9R0.56 C=C(C)CSCC(C)(C)O 62a_100000748629_100000764493 [1,0,1,0,0,0|1,0,1]=4 140 B9R0.56 C=C(C)CSCC(C)(C)O 62a_100000764493_100000211660 [1,0,1,0,0,0|1,0,1]=4 141 B9R0.56 CC(=O)NCCC(C)(C)O 1626a_100000707701_100015343762 [1,0,1,0,0,0|2,0,0]=4 142 B9R0.56 CC(=O)NCCC(C)(C)O 527a_100000707701_100103153847 [1,0,1,0,0,0|2,0,0]=4 143 B9R0.1 C/C=C(\C)/C=NNC(C)C 4a_100000741168_100020587592 [1,0,1,0,0,0|2,0,0]=4 144 B9R0.1 C=CC(=NNCC(C)O)C 4a_200000730056_200015361842 [1,0,1,0,0,0|2,0,0]=4 145 B9R0.1 C=CC(=O)CCCC(C)C 1458a_100000185746_100011214892 [1,0,1,0,0,0|1,0,1]=4 146 B9R0.1 C=CC(=O)CCCC(C)O 1458a_100000185746_200000718107 [1,0,1,0,0,0|1,0,1]=4 147 B9R0.1 C=CC(=O)NCCC(C)C 1626a_100000210545_100000185746 [1,0,1,0,0,0|2,0,0]=4 148 B9R0.1 C=CC(=O)NCCC(C)C 240690a_100000210545_200121576911 [1,0,1,0,0,0|2,0,0]=4 149 B9R0.1 C=CC(=O)NCCC(C)O 240690a_200000755665_200121576911 [1,0,1,0,0,0|2,0,0]=4 150 B9R0.1 C=CC(C)OCCC(C)C 34a_100000695699_100000210312 [1,0,1,0,0,0|1,0,1]=4 151 B9R0.1 C=CC(C)OCCC(C)O 34a_100000695699_100012276601 [1,0,1,0,0,0|1,0,1]=4 152 B9R0.1 C=CC(C)SCCC(C)C 62a_100011215867_100000210312 [1,0,1,0,0,0|1,0,1]=4 153 B9R0.1 C=CC(C)SCCC(C)O 62a_100011215867_100012276601 [1,0,1,0,0,0|1,0,1]=4 154 B9R0.38 C/C=C/COCC(C)(C)O 34a_100016270725_100000764493 [1,0,1,0,0,0|1,0,1]=4 155 B9R0.38 C/C=C/CSCC(C)(C)O 62a_100000764493_100102629194 [1,0,1,0,0,0|1,0,1]=4 156 B9R0.38 C/C=C/CSCC(C)(C)O 62a_100102629194_100000764493 [1,0,1,0,0,0|1,0,1]=4 157 B9R0.38 C=CCNCCC(C)(C)O 2230a_100020586998_100000702414 [1,0,1,0,0,0|1,0,1]=4 158 B9R0.38 C=CCOCCC(C)(C)O 34a_200000210373_100000702414 [1,0,1,0,0,0|1,0,1]=4 159 B9R0.38 C=CCSCCC(C)(C)O 62a_100000210623_100000702414 [1,0,1,0,0,0|1,0,1]=4 160 B9R0.38 C=CCSCCC(C)(C)O 62a_100000702414_100000210623 [1,0,1,0,0,0|1,0,1]=4 161 B9R0.38 CC=CCNCC(C)(C)O 2230a_100000751335_100000070051 [1,0,1,0,0,0|1,0,1]=4 162 B9R0.38 CC=CCSCC(C)(C)O 62a_100000070051_100000764493 [1,0,1,0,0,0|1,0,1]=4 163 B9R0.38 CC=CCSCC(C)(C)O 62a_100000764493_100000070051 [1,0,1,0,0,0|1,0,1]=4 164 B11R0.168 C=C(Br)C(=O)N[C@@H](C)C(C)(C)O 11a_100025708725_100009813364 [0,1,1,0,0,0|2,0,0]=4 165 B11R0.168 C=C(Br)C(=O)N[C@@H](C)C(C)(C)O 1626a_100025708725_100009813364 [0,1,1,0,0,0|2,0,0]=4 166 B11R0.168 C=C(C)C(=O)N[C@@H](C)C(C)(C)O 11a_100025708725_100000185857 [0,1,1,0,0,0|1,0,0]=3 167 B11R0.168 C=C(C)C(=O)N[C@@H](C)C(C)(C)O 1626a_100025708725_100000185857 [0,1,1,0,0,0|1,0,0]=3 168 B11R0.168 C=C(C)C(=O)N[C@H](C)C(C)(C)C 11a_100025703359_100000185857 [0,1,1,0,0,0|2,0,0]=4 169 B11R0.168 C=C(C)C(=O)N[C@H](C)C(C)(C)C 1626a_100025703359_100000185857 [0,1,1,0,0,0|2,0,0]=4 170 B11R0.168 C=C(C)C(C)N[C@@H](C)C(C)(C)O 269862a_100025708725_100011216138 [0,1,1,0,0,0|1,0,1]=4 171 B11R0.168 C=C(Cl)C(=O)N[C@@H](C)C(C)(C)O 11a_100025708725_100000039160 [0,1,1,0,0,0|2,0,0]=4 172 B11R0.168 C=C(Cl)C(=O)N[C@@H](C)C(C)(C)O 1626a_100025708725_100000039160 [0,1,1,0,0,0|2,0,0]=4 173 B11R0.168 C=C(F)C(=O)N[C@@H](C)C(C)(C)O 11a_100025708725_100000036797 [0,1,1,0,0,0|2,0,0]=4 174 B11R0.168 C=C(F)C(=O)N[C@@H](C)C(C)(C)O 1626a_100025708725_100000036797 [0,1,1,0,0,0|2,0,0]=4 175 B11R0.24 C=CC(CC)OCCC(C)(C)O 34a_100000766422_100000702414 [0,1,1,0,0,0|1,0,1]=4 176 B11R0.24 C=CC(CC)OCCC(C)(C)O 7a_100000766422_100000702414 [0,1,1,0,0,0|1,0,1]=4 177 B11R0.24 C=C[C@@H](CO)NCCC(C)(C)O 2230a_100016989147_100000702414 [0,1,1,0,0,0|1,0,1]=4 178 B11R0.24 C=C[C@@H](CO)NCCC(C)(C)O 34a_100016989147_100000702414 [0,1,1,0,0,0|1,0,1]=4 179 B11R0.131 C=CC(C)(C)OCCC(C)(C)O 34a_100011215311_100000702414 [0,1,1,0,0,0|1,0,1]=4 180 B11R0.131 C=CC(C)(C)OCCC(C)(C)O 7a_100011215311_100000702414 [0,1,1,0,0,0|1,0,1]=4 181 B11R0.180 C/C=C/C(C)OCCC(C)(C)O 34a_200102604097_100000702414 [0,1,1,0,0,0|1,0,1]=4 182 B11R0.180 C=CCC(=O)NCCC(C)(C)O 1626a_100000707701_100000210193 [0,1,1,0,0,0|2,0,0]=4 183 B11R0.180 C=CCC(=O)NCCC(C)(C)O 527a_100000707701_100000210193 [0,1,1,0,0,0|2,0,0]=4 184 B11R0.180 C=CCN(C)CCCC(C)(C)O 2230a_100000225617_100009888830 [0,1,1,0,0,0|1,0,1]=4 185 B11R0.180 C=CCN(C)CCCC(C)(C)O 269982a_100000225617_100009888830 [0,1,1,0,0,0|1,0,1]=4 186 B11R0.180 C=CC[C@@H](C)OCCC(C)(C)O 34a_100000731007_100000702414 [0,1,1,0,0,0|1,0,1]=4 187 B11R0.180 C=CC[C@@H](C)OCCC(C)(C)O 7a_100000731007_100000702414 [0,1,1,0,0,0|1,0,1]=4 188 B11R0.180 CC(C)(O)CCNC(=O)C=CBr 1626a_100000707701_100016273825 [0,1,1,0,0,0|2,0,0]=4 189 B11R0.180 CC(C)(O)CCNC(=O)C=CCl 1626a_100000707701_200016279998 [0,1,1,0,0,0|2,0,0]=4 190 B11R0.180 CC(C)(O)CCNC(=O)C=CI 1626a_100000707701_100016256311 [0,1,1,0,0,0|2,0,0]=4 191 B11R0.180 CC=CC(=O)NCCC(C)(C)O 1626a_100000707701_100000210699 [0,1,1,0,0,0|2,0,0]=4 192 B11R0.290 C/C=C(\C)/C(=O)CCC(C)(C)C 1458a_100020587367_100000755188 [0,1,1,0,0,0|1,0,1]=4 193 B11R0.290 C/C=C(\C)/C(=O)NCC(C)(C)C 11a_100000743828_100020587367 [0,1,1,0,0,0|2,0,0]=4 194 B11R0.290 C/C=C(\C)/C(=O)NCC(C)(C)C 1626a_100000743828_100020587367 [0,1,1,0,0,0|2,0,0]=4 195 B11R0.290 C/C=C(\C)/C(=O)NCC(C)(C)F 11a_100020643315_100020587367 [0,1,1,0,0,0|2,0,0]=4 196 B11R0.290 C/C=C(\C)/C(=O)NCC(C)(C)F 1626a_100020643315_100020587367 [0,1,1,0,0,0|2,0,0]=4 197 B11R0.290 C/C=C(\C)/C(=O)NCC(C)(C)O 1626a_100000751335_100020587367 [0,1,1,0,0,0|1,0,0]=3 198 B11R0.290 C/C=C(\C)/C(C)NCC(C)(C)O 269862a_100000751335_100020675665 [0,1,1,0,0,0|1,0,1]=4 199 B11R0.290 C=CC(C)C(=O)CCC(C)(C)C 1458a_100011216780_100000755188 [0,1,1,0,0,0|1,0,1]=4 200 B11R0.290 C=CC(C)C(=O)NCC(C)(C)O 1626a_100000751335_100011216780 [0,1,1,0,0,0|1,0,1]=4 201 B11R0.290 C=CC(C)C(=O)NCC(C)(C)O 240690a_100000751335_100011216780 [0,1,1,0,0,0|1,0,1]=4 202 B11R0.290 C=CC(C)C(=O)NCC(C)(C)O 527a_100000751335_100011216780 [0,1,1,0,0,0|1,0,1]=4 203 B11R0.318 C=C(Br)C(=O)NCCC(C)(C)O 1626a_100000707701_100009813364 [0,1,1,0,0,0|2,0,0]=4 204 B11R0.318 C=C(C)C(=O)NCCC(C)(C)O 1626a_100000707701_100000185857 [0,1,1,0,0,0|2,0,0]=4 205 B11R0.318 C=C(C)C(C)NCCC(C)(C)O 269862a_100000707701_100011216138 [0,1,1,0,0,0|1,0,1]=4 206 B11R0.318 C=C(Cl)C(=O)NCCC(C)(C)O 1626a_100000707701_100000039160 [0,1,1,0,0,0|2,0,0]=4 207 B11R0.318 C=C(F)C(=O)NCCC(C)(C)O 1626a_100000707701_100000036797 [0,1,1,0,0,0|2,0,0]=4 208 B11R0.320 C=CC(C)CCCC(C)(C)OC 7a_100000032255_200000210301 [0,1,1,0,0,0|0,0,2]=4 209 B11R0.320 C=CC(C)CCCC(C)(C)O[13CH3] 7a_100000032255_200025704644 [0,1,1,0,0,0|0,0,2]=4 210 B11R0.8 C=CCN(C/C=C/C)C(C)(C)C 269982a_100025770937_100102629194 [0,1,1,0,0,0|2,0,0]=4 211 B11R0.8 C=CCN(CC=CC)C(C)(C)C 2230a_100025770937_100000070051 [0,1,1,0,0,0|2,0,0]=4 212 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 2230a_100000210773_200025704644 [1,1,0,0,0,0|0,0,2]=4 213 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 34a_100000210773_200025704644 [1,1,0,0,0,0|0,0,2]=4 214 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 7a_100000210773_200025704644 [1,1,0,0,0,0|0,0,2]=4 215 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 34a_100000181308_200025704644 [1,1,0,0,0,0|0,0,2]=4 216 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 7a_100000181308_200025704644 [1,1,0,0,0,0|0,0,2]=4 217 B11R1.3 CC(C)c1ccc(cc1)S[13CH3] 62a_100000750031_200025704644 [1,1,0,0,0,0|0,0,2]=4 218 B11R1.3 CC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000750031 [1,1,0,0,0,0|0,0,2]=4 219 B11R1.3 CC(C)c1ccc(cn1)S[13CH3] 62a_100010255768_200025704644 [1,1,0,0,0,0|1,0,1]=4 220 B11R1.3 CC(C)c1ccc(cn1)S[13CH3] 62a_200025704644_100010255768 [1,1,0,0,0,0|1,0,1]=4 221 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 2230a_100011216399_200025704644 [1,1,0,0,0,0|0,0,2]=4 222 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 34a_100011216399_200025704644 [1,1,0,0,0,0|0,0,2]=4 223 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 34a_100000754508_200025704644 [1,1,0,0,0,0|0,0,2]=4 224 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 7a_100000754508_200025704644 [1,1,0,0,0,0|0,0,2]=4 225 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_100000745893_200025704644 [1,1,0,0,0,0|0,0,2]=4 226 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000745893 [1,1,0,0,0,0|0,0,2]=4 227 B11R1.3 CC(O)c1ccc(cn1)S[13CH3] 62a_100012353650_200025704644 [1,1,0,0,0,0|1,0,1]=4 228 B11R1.3 CC(O)c1ccc(cn1)S[13CH3] 62a_200025704644_100012353650 [1,1,0,0,0,0|1,0,1]=4 229 B11R1.3 CNc1ccc(cc1)C(C)C 2230a_100000210773_200000210301 [1,1,0,0,0,0|0,0,2]=4 230 B11R1.3 CNc1ccc(cc1)C(C)C 34a_100000210773_200000210301 [1,1,0,0,0,0|0,0,2]=4 231 B11R1.3 CNc1ccc(cc1)C(C)C 7a_100000210773_200000210301 [1,1,0,0,0,0|0,0,2]=4 232 B11R1.3 CNc1ccc(cc1)C(C)O 2230a_100011216399_200000210301 [1,1,0,0,0,0|0,0,2]=4 233 B11R1.3 CNc1ccc(cc1)C(C)O 34a_100011216399_200000210301 [1,1,0,0,0,0|0,0,2]=4 234 B11R1.3 COc1ccc(cc1)C(C)C 34a_100000181308_200000210301 [1,1,0,0,0,0|0,0,2]=4 235 B11R1.3 COc1ccc(cc1)C(C)C 7a_100000181308_200000210301 [1,1,0,0,0,0|0,0,2]=4 236 B11R1.3 COc1ccc(cc1)C(C)O 34a_100000754508_200000210301 [1,1,0,0,0,0|0,0,2]=4 237 B11R1.3 COc1ccc(cc1)C(C)O 7a_100000754508_200000210301 [1,1,0,0,0,0|0,0,2]=4 238 B11R1.3 CSc1ccc(cc1)C(C)C 62a_100000750031_200000210301 [1,1,0,0,0,0|0,0,2]=4 239 B11R1.3 CSc1ccc(cc1)C(C)C 62a_200000210301_100000750031 [1,1,0,0,0,0|0,0,2]=4 240 B11R1.3 CSc1ccc(cc1)C(C)O 62a_100000745893_200000210301 [1,1,0,0,0,0|0,0,2]=4 241 B11R1.3 CSc1ccc(cc1)C(C)O 62a_200000210301_100000745893 [1,1,0,0,0,0|0,0,2]=4 242 B11R1.3 CSc1ccc(nc1)C(C)C 62a_100010255768_200000210301 [1,1,0,0,0,0|1,0,1]=4 243 B11R1.3 CSc1ccc(nc1)C(C)C 62a_200000210301_100010255768 [1,1,0,0,0,0|1,0,1]=4 244 B11R1.3 CSc1ccc(nc1)C(C)O 62a_100012353650_200000210301 [1,1,0,0,0,0|1,0,1]=4 245 B11R1.3 CSc1ccc(nc1)C(C)O 62a_200000210301_100012353650 [1,1,0,0,0,0|1,0,1]=4 246 B11R1.22 CNC(C)C1CC=C(CC1)C 269862a_106832991636_100000073480 [1,1,0,0,0,0|0,0,2]=4 247 B11R1.22 CNC(C)C1CC=C(CC1)C 270004a_106832991635_100000073480 [1,1,0,0,0,0|0,0,2]=4 248 B11R1.22 CNC(C)c1ccc(cc1)C 2230a_106832991635_100011261388 [1,1,0,0,0,0|0,0,2]=4 249 B11R1.22 CNC(C)c1ccc(cc1)C 269862a_106832991636_100000185793 [1,1,0,0,0,0|0,0,2]=4 250 B11R1.22 CNC(C)c1ccc(cc1)C 34a_100102657272_100011261388 [1,1,0,0,0,0|0,0,2]=4 251 B11R1.22 CNC(C)c1ccc(cc1)C 7a_106832991635_100011261388 [1,1,0,0,0,0|0,0,2]=4 252 B11R1.22 CNC(C)c1ccc(cn1)C 269862a_106832991636_100000084104 [1,1,0,0,0,0|1,0,1]=4 253 B11R1.22 CNC(C)c1ccc(cn1)C 270004a_106832991635_100000084104 [1,1,0,0,0,0|1,0,1]=4 254 B11R1.22 CN[C@H](C)c1ccc(cc1)C 2230a_100016988085_200000210301 [1,1,0,0,0,0|0,0,2]=4 255 B11R1.22 CN[C@H](C)c1ccc(cc1)C 34a_100016988085_200000210301 [1,1,0,0,0,0|0,0,2]=4 256 B11R1.22 COC(C)c1ccc(cc1)C 34a_100138415774_100011261388 [1,1,0,0,0,0|0,0,2]=4 257 B11R1.22 CO[C@H](C)c1ccc(cc1)C 34a_100000690690_200000210301 [1,1,0,0,0,0|0,0,2]=4 258 B11R1.22 CO[C@H](C)c1ccc(cc1)C 7a_100000690690_200000210301 [1,1,0,0,0,0|0,0,2]=4 259 B11R1.22 CSC(C)c1ccc(cc1)C 62a_100011261388_200000210301 [1,1,0,0,0,0|0,0,2]=4 260 B11R1.22 CSC(C)c1ccc(cc1)C 62a_200000210301_100011261388 [1,1,0,0,0,0|0,0,2]=4 261 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_100011261388_200025704644 [1,1,0,0,0,0|0,0,2]=4 262 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_200025704644_100011261388 [1,1,0,0,0,0|0,0,2]=4 263 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100016988085_200025704644 [1,1,0,0,0,0|0,0,2]=4 264 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 34a_100016988085_200025704644 [1,1,0,0,0,0|0,0,2]=4 265 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000690690_200025704644 [1,1,0,0,0,0|0,0,2]=4 266 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000690690_200025704644 [1,1,0,0,0,0|0,0,2]=4 267 B11R1.7 CC(C)(O[13CH3])c1ccccc1 7a_100000694644_200025704644 [1,1,0,0,0,0|0,0,2]=4 268 B11R1.7 CC(C)(O[13CH3])c1ccccn1 7a_100000041474_200025704644 [1,1,0,0,0,0|1,0,1]=4 269 B11R1.7 COC(C)(C)c1ccccc1 7a_100000694644_200000210301 [1,1,0,0,0,0|0,0,2]=4 270 B11R1.7 COC(C)(C)c1ccccn1 7a_100000041474_200000210301 [1,1,0,0,0,0|1,0,1]=4 271 B11R1.87 CC(C)(O)c1ccccc1O 271570a_203496583355_100011346021 [1,1,0,0,0,0|0,0,2]=4 272 B11R1.87 CC(C)(O)c1ncccc1O 271570a_203496583355_200010080787 [1,1,0,0,0,0|1,0,1]=4 273 B11R1.155 CC(C)(O)c1cc(ccn1)O 271570a_203496583355_100010174121 [1,1,0,0,0,0|1,0,1]=4 274 B11R1.155 CC(C)(O)c1cccc(c1)O 271570a_203496583355_100011346009 [1,1,0,0,0,0|0,0,2]=4 275 B11R1.155 CC(C)(O)c1cccc(n1)O 271570a_203496583355_100010074359 [1,1,0,0,0,0|1,0,1]=4 276 B13R1.249 COC(C)(C)Cc1ccc(cc1)C 7a_200011350412_200000210301 [0,1,0,0,0,1|0,0,2]=4 277 B13R1.249 Cc1ccc(cc1)CC(C)(C)O[13CH3] 7a_200011350412_200025704644 [0,1,0,0,0,1|0,0,2]=4 278 B13R1.140 CC(C)(O)c1ccc(cc1)OCF 34a_100000695648_100015361967 [0,2,0,0,0,0|0,0,2]=4 279 B13R1.140 CC(C)(O)c1ccc(cc1)OCF 7a_100000695648_100015361967 [0,2,0,0,0,0|0,0,2]=4 280 B13R1.140 CC(C)(O)c1ccc(cc1)SCF 62a_100000753367_100015361967 [0,2,0,0,0,0|0,0,2]=4 281 B13R1.140 CC(C)(O)c1ccc(cc1)SCF 62a_100015361967_100000753367 [0,2,0,0,0,0|0,0,2]=4 282 B13R1.140 CC(C)(O)c1ccc(cn1)SCF 62a_100010246419_100015361967 [0,2,0,0,0,0|1,0,1]=4 283 B13R1.140 CC(C)(O)c1ccc(cn1)SCF 62a_100015361967_100010246419 [0,2,0,0,0,0|1,0,1]=4 284 B13R1.140 CC=Cc1ccc(cc1)C(C)(C)O 271570a_100016259895_100000753367 [0,2,0,0,0,0|0,0,2]=4 285 B13R1.140 CC=Cc1ccc(nc1)C(C)(C)O 271570a_100016259895_100010246419 [0,2,0,0,0,0|1,0,1]=4 286 B13R1.140 CCOc1ccc(cc1)C(C)(C)O 34a_100000695648_100000210202 [0,2,0,0,0,0|0,0,2]=4 287 B13R1.140 CCOc1ccc(cc1)C(C)(C)O 7a_100000695648_100000210202 [0,2,0,0,0,0|0,0,2]=4 288 B13R1.140 CCSc1ccc(cc1)C(C)(C)O 62a_100000210202_100000753367 [0,2,0,0,0,0|0,0,2]=4 289 B13R1.140 CCSc1ccc(cc1)C(C)(C)O 62a_100000753367_100000210202 [0,2,0,0,0,0|0,0,2]=4 290 B13R1.140 CCSc1ccc(nc1)C(C)(C)O 62a_100000210202_100010246419 [0,2,0,0,0,0|1,0,1]=4 291 B13R1.140 CCSc1ccc(nc1)C(C)(C)O 62a_100010246419_100000210202 [0,2,0,0,0,0|1,0,1]=4 292 B13R1.140 CNCc1ccc(cc1)C(C)(C)O 26a_100102657272_100000695648 [0,2,0,0,0,0|0,0,2]=4 293 B13R1.187 CC(C)(CO)c1ccc(cc1)N[13CH3] 34a_103496529068_200025704644 [0,2,0,0,0,0|0,0,2]=4 294 B13R1.187 CNc1ccc(cc1)C(C)(C)CO 34a_103496529068_200000210301 [0,2,0,0,0,0|0,0,2]=4 295 B13R1.187 COc1ccc(cc1)C(C)(C)OC 34a_100000744786_200000210301 [0,2,0,0,0,0|0,0,2]=4 296 B13R1.187 COc1ccc(cc1)C(C)(C)OC 7a_100000744786_200000210301 [0,2,0,0,0,0|0,0,2]=4 297 B13R1.187 COc1ccc(cc1)C(C)(C)O[13CH3] 34a_100000744786_200025704644 [0,2,0,0,0,0|0,0,2]=4 298 B13R1.187 COc1ccc(cc1)C(C)(C)O[13CH3] 7a_100000744786_200025704644 [0,2,0,0,0,0|0,0,2]=4 299 B13R1.338 C=C(C)c1ccc(cc1)C(C)(C)O 271570a_100000694244_100000753367 [0,2,0,0,0,0|0,0,2]=4 300 B13R1.338 C=C(C)c1ccc(nc1)C(C)(C)O 271570a_100000694244_100010246419 [0,2,0,0,0,0|1,0,1]=4 301 B13R1.29 CC1=CC[C@H](CC1)C(C)(C)OCF 34a_100015539799_100015361967 [0,2,0,0,0,0|0,0,2]=4 302 B13R1.29 CC1=CC[C@H](CC1)C(C)(C)OCF 7a_100015539799_100015361967 [0,2,0,0,0,0|0,0,2]=4 303 B13R1.29 CCOC(C)(C)[C@@H]1CC=C(CC1)C 34a_100015539799_100000210202 [0,2,0,0,0,0|0,0,2]=4 304 B13R1.29 CCOC(C)(C)[C@@H]1CC=C(CC1)C 7a_100015539799_100000210202 [0,2,0,0,0,0|0,0,2]=4 305 B13R1.29 CCOC(C)(C)c1ccc(cc1)C 34a_200011345916_100000210202 [0,2,0,0,0,0|0,0,2]=4 306 B13R1.29 CCOC(C)(C)c1ccc(cc1)C 7a_200011345916_100000210202 [0,2,0,0,0,0|0,0,2]=4 307 B13R1.29 Cc1ccc(cc1)C(C)(C)OCF 34a_200011345916_100015361967 [0,2,0,0,0,0|0,0,2]=4 308 B13R1.29 Cc1ccc(cc1)C(C)(C)OCF 7a_200011345916_100015361967 [0,2,0,0,0,0|0,0,2]=4 309 B13R1.522 CC(=O)C(C)(O)c1ccc(cc1)C 1458a_100011434902_200000210301 [0,2,0,0,0,0|0,0,2]=4 310 B13R1.522 Cc1ccc(cc1)C(C)(O)C(=O)[13CH3] 1458a_100011434902_200025704644 [0,2,0,0,0,0|0,0,2]=4 311 B11R1.866 C=CC(=O)N1CCC(C1)(C)O 240690a_100000718628_200121576911 [0,0,1,1,0,0|2,0,0]=4 312 B11R1.866 C=CC(C)N1CCC(C1)(C)O 269982a_100000718628_100011215867 [0,0,1,1,0,0|1,0,1]=4 313 B11R1.897 C=CC(=O)N[C@H]1C[C@@](C1)(C)O 1626a_100121572536_100000185746 [0,0,1,1,0,0|2,0,0]=4 314 B11R1.897 C=CC(=O)N[C@H]1C[C@@](C1)(C)O 240690a_100121572536_200121576911 [0,0,1,1,0,0|2,0,0]=4 315 B11R2.34 Cc1ccc(cc1)C2CC2 271570a_100011220607_100000186775 [1,0,0,1,0,0|0,0,2]=4 316 B11R2.34 Cc1ccc(nc1)C2CC2 271570a_100011220607_100000754016 [1,0,0,1,0,0|1,0,1]=4 317 B9R0.10 C=C(C)CC(=O)C(C)(C)O 1458a_100000242741_100000748629 [0,0,1,0,1,0|1,0,1]=4 318 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 11a_100025708725_100015343762 [0,0,1,0,1,0|2,0,0]=4 319 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 1626a_100025708725_100015343762 [0,0,1,0,1,0|2,0,0]=4 320 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 240690a_100025708725_100015343762 [0,0,1,0,1,0|2,0,0]=4 321 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 527a_100025708725_100103153847 [0,0,1,0,1,0|2,0,0]=4 322 B9R0.21 C=CC(=O)CCC(C)(C)C 1458a_100000185746_100000755188 [0,0,1,0,1,0|2,0,0]=4 323 B9R0.21 C=CC(=O)NCC(C)(C)O 1626a_100000751335_100000185746 [0,0,1,0,1,0|2,0,0]=4 324 B9R0.21 C=CC(=O)NCC(C)(C)O 240690a_100000751335_200121576911 [0,0,1,0,1,0|2,0,0]=4 325 B9R0.21 C=CC(C)OCC(C)(C)O 34a_100000695699_100000764493 [0,0,1,0,1,0|1,0,1]=4 326 B9R0.21 C=CC(C)SCC(C)(C)O 62a_100011215867_100000764493 [0,0,1,0,1,0|1,0,1]=4 327 B9R1.51 CC(C)(O)C1CN(C1)[13CH3] 269982a_100000708124_200025704644 [0,0,0,0,2,0|1,0,1]=4 328 B9R1.51 CC(C)(O)C1CN(C1)[13CH3] 34a_100000708124_200025704644 [0,0,0,0,2,0|1,0,1]=4 329 B9R1.51 CN1CC(C1)C(C)(C)O 269982a_100000708124_200000210301 [0,0,0,0,2,0|1,0,1]=4 330 B9R1.51 CN1CC(C1)C(C)(C)O 34a_100000708124_200000210301 [0,0,0,0,2,0|1,0,1]=4 331 B11R0.84 C=C(C)CCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000730704 [0,0,1,0,0,1|0,0,2]=4 332 B11R0.84 CC(=CCN[C@@H](C)C(C)(C)O)C 2230a_100025708725_100000761012 [0,0,1,0,0,1|0,0,2]=4 333 B11R0.114 C#C/C(=C\COCC(C)(C)O)/C 34a_100016990848_100000764493 [0,0,1,0,0,1|0,0,2]=4 334 B11R0.114 C=CC(C)COCCC(C)(C)O 34a_100011215527_100000702414 [0,0,1,0,0,1|0,0,2]=4 335 B11R0.114 C=CC(C)COCCC(C)(C)O 7a_100011215527_100000702414 [0,0,1,0,0,1|0,0,2]=4 336 B11R0.114 C=CC(C)OCCCC(C)(C)O 34a_100000695699_100009888830 [0,0,1,0,0,1|0,0,2]=4 337 B11R0.114 C=CC(C)SCCCC(C)(C)O 62a_100011215867_100009888830 [0,0,1,0,0,1|0,0,2]=4 338 B11R1.20 Cc1ccc(cc1)NC(C)C 34a_100000124888_100000210206 [1,0,0,0,0,1|0,0,2]=4 339 B11R1.20 Cc1ccc(cc1)OC(C)C 34a_100000210336_100000210206 [1,0,0,0,0,1|0,0,2]=4 340 B11R1.20 Cc1ccc(cc1)OC(C)C 7a_100000210336_100000210206 [1,0,0,0,0,1|0,0,2]=4 341 B11R1.20 Cc1ccc(cc1)SC(C)C 62a_100000186775_100000210206 [1,0,0,0,0,1|0,0,2]=4 342 B11R1.20 Cc1ccc(cc1)SC(C)C 62a_100000210206_100000186775 [1,0,0,0,0,1|0,0,2]=4 343 B11R1.20 Cc1ccc(nc1)OC(C)C 34a_100000759353_100000210206 [1,0,0,0,0,1|1,0,1]=4 344 B11R1.20 Cc1ccc(nc1)SC(C)C 62a_100000210206_100000754016 [1,0,0,0,0,1|1,0,1]=4 345 B11R1.20 Cc1ccc(nc1)SC(C)C 62a_100011192072_100000210206 [1,0,0,0,0,1|1,0,1]=4 346 B13R1.512 Cc1ccc(cc1)C=CC(C)(C)O 271570a_200016258132_100000186775 [0,0,0,0,0,2|0,0,2]=4 347 B13R1.512 Cc1ccc(cc1)NCC(C)(C)O 34a_100000124888_100000764493 [0,0,0,0,0,2|0,0,2]=4 348 B13R1.512 Cc1ccc(cc1)OCC(C)(C)O 34a_100000210336_100000764493 [0,0,0,0,0,2|0,0,2]=4 349 B13R1.512 Cc1ccc(cc1)OCC(C)(C)O 7a_100000210336_100000764493 [0,0,0,0,0,2|0,0,2]=4 350 B13R1.512 Cc1ccc(cc1)SCC(C)(C)O 62a_100000186775_100000764493 [0,0,0,0,0,2|0,0,2]=4 351 B13R1.512 Cc1ccc(cc1)SCC(C)(C)O 62a_100000764493_100000186775 [0,0,0,0,0,2|0,0,2]=4 352 B13R1.512 Cc1ccc(nc1)C=CC(C)(C)O 271570a_200016258132_100000754016 [0,0,0,0,0,2|1,0,1]=4 353 B13R1.512 Cc1ccc(nc1)OCC(C)(C)O 34a_100000759353_100000764493 [0,0,0,0,0,2|1,0,1]=4 354 B13R1.512 Cc1ccc(nc1)SCC(C)(C)O 62a_100000764493_100000754016 [0,0,0,0,0,2|1,0,1]=4 355 B13R1.512 Cc1ccc(nc1)SCC(C)(C)O 62a_100011192072_100000764493 [0,0,0,0,0,2|1,0,1]=4