0 B11R1.35 CC(=O)C(C)Cn1ccnc1 1458a_200102835363_200000210301 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.35 CC(=O)C(C)Sc1cnco1 62a_100009814033_100020591547 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.35 CC(=O)C(C)Sc1cnco1 62a_100020591547_100009814033 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.35 CC(=O)C(C)Sc1cncs1 62a_100009814033_100011934649 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.35 CC(=O)C(C)Sc1cncs1 62a_100011934649_100009814033 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.35 CC(Cn1ccnc1)C(=O)[13CH3] 1458a_200102835363_200025704644 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.35 CC(Sc1cnco1)C(=O)N 62a_100000702099_100020591547 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.35 CC(Sc1cnco1)C(=O)N 62a_100020591547_100000702099 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.35 CC(Sc1cncs1)C(=O)N 62a_100000702099_100011934649 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.35 CC(Sc1cncs1)C(=O)N 62a_100011934649_100000702099 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.35 NC(=O)C(F)Sc1cnco1 62a_100009813875_100020591547 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.35 NC(=O)C(F)Sc1cnco1 62a_100020591547_100009813875 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.35 NC(=O)C(F)Sc1cncs1 62a_100009813875_100011934649 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.35 NC(=O)C(F)Sc1cncs1 62a_100011934649_100009813875 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.35 O=C([O-])C(F)Sc1cnco1 62a_100020591547_100020610796 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.35 O=C([O-])C(F)Sc1cnco1 62a_100020610796_100020591547 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.35 O=C([O-])C(F)Sc1cncs1 62a_100011934649_100020610796 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.35 O=C([O-])C(F)Sc1cncs1 62a_100020610796_100011934649 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.66 CC(=O)CCc1c[nH]cn1 1458a_100000070787_100020628418 [1,0,0,0,0,0|1,0,2]=4 19 B10R1.66 CC(=O)CCc1cc[nH]c1 1458a_200000093579_200000210301 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.66 CC(=O)CCc1ccsc1 1458a_100000195497_200000210301 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.66 CC(=O)CCc1cn[nH]c1 1458a_100000070787_100000743252 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.66 CC(=O)CCc1cnc[nH]1 1458a_100000044180_200000210301 [1,0,0,0,0,0|1,0,0]=2 27 B10R1.66 CC(=O)CCc1cncs1 1458a_100012184922_200000210301 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.66 CC(=O)CCc1ncc[nH]1 1458a_100000722789_200000210301 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.66 CC(=O)CCc1nnn[nH]1 1458a_100000070787_100000031946 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.66 CC(=O)CCn1ccnc1 1458a_100000070787_100000702546 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.66 CC(=O)CCn1ccnc1 1458a_100000176952_200000210301 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.66 CC(=O)CCn1cncn1 1458a_100000070787_100000731791 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.66 CC(=O)CCn1cncn1 1458a_100000242768_200000210301 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.66 CC(=O)NCc1ccc[nH]1 11a_100000764082_100015343762 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.66 CC(=O)NCc1ccc[nH]1 240690a_100000764082_100015343762 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.66 CC(=O)NCc1ccc[nH]1 527a_100000764082_100103153847 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.66 CC(=O)NCc1cnco1 11a_100020634212_100015343762 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.66 CC(=O)NCc1cnco1 240690a_100020634212_100015343762 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.66 CC(=O)NCc1cnco1 527a_100020634212_100103153847 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.66 CC(=O)NCc1cncs1 11a_100016987365_100015343762 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.66 CC(=O)NCc1cncs1 240690a_100016987365_100015343762 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.66 CC(=O)NCc1cncs1 527a_100016987365_100103153847 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.66 CC(=O)NCc1nnc[nH]1 11a_200015183720_100015343762 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.66 CC(=O)NCc1nnc[nH]1 240690a_200015183720_100015343762 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.66 CC(=O)NCc1nnc[nH]1 527a_200015183720_100103153847 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.66 NC(=O)CSc1cnco1 62a_100000747473_100020591547 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.66 NC(=O)CSc1cnco1 62a_100020591547_100000747473 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.66 NC(=O)CSc1cncs1 62a_100000747473_100011934649 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.66 NC(=O)CSc1cncs1 62a_100011934649_100000747473 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.66 O=C([O-])CSc1cnco1 62a_100020591547_100020667443 [1,0,0,0,0,0|2,0,1]=4 51 B10R1.66 O=C([O-])CSc1cnco1 62a_100020667443_100020591547 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.66 O=C([O-])CSc1cncs1 62a_100011934649_100020667443 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.66 O=C([O-])CSc1cncs1 62a_100020667443_100011934649 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.66 [13CH3]C(=O)CCc1cc[nH]c1 1458a_200000093579_200025704644 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.66 [13CH3]C(=O)CCc1ccsc1 1458a_100000195497_200025704644 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.66 [13CH3]C(=O)CCc1cnc[nH]1 1458a_100000044180_200025704644 [1,0,0,0,0,0|1,0,0]=2 60 B10R1.66 [13CH3]C(=O)CCc1cncs1 1458a_100012184922_200025704644 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.66 [13CH3]C(=O)CCc1ncc[nH]1 1458a_100000722789_200025704644 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.66 [13CH3]C(=O)CCn1ccnc1 1458a_100000176952_200025704644 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.66 [13CH3]C(=O)CCn1cncn1 1458a_100000242768_200025704644 [1,0,0,0,0,0|2,0,1]=4 64 B12R1.108 COC(=O)C(C)Sc1cnco1 62a_100000211248_100020591547 [0,1,0,0,0,0|3,0,0]=4 65 B12R1.108 COC(=O)C(C)Sc1cnco1 62a_100020591547_100000211248 [0,1,0,0,0,0|3,0,0]=4 66 B12R1.108 COC(=O)C(C)Sc1cncs1 62a_100000211248_100011934649 [0,1,0,0,0,0|3,0,0]=4 67 B12R1.108 COC(=O)C(C)Sc1cncs1 62a_100011934649_100000211248 [0,1,0,0,0,0|3,0,0]=4 68 B12R1.145 CC(=O)C(C)Sc1[nH]cnc1Cl 62a_100009814033_100010200774 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.145 CC(=O)C(C)Sc1[nH]cnc1Cl 62a_100010200774_100009814033 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.145 CC(=O)C(C)Sc1cncn1C 62a_100009814033_100009814087 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.145 CC(=O)C(C)Sc1cncn1C 62a_100009814087_100009814033 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.145 CC(Sc1[nH]cnc1Cl)C(=O)N 62a_100000702099_100010200774 [0,1,0,0,0,0|3,0,0]=4 73 B12R1.145 CC(Sc1[nH]cnc1Cl)C(=O)N 62a_100010200774_100000702099 [0,1,0,0,0,0|3,0,0]=4 74 B12R1.145 CC(Sc1cncn1C)C(=O)N 62a_100000702099_100009814087 [0,1,0,0,0,0|3,0,0]=4 75 B12R1.145 CC(Sc1cncn1C)C(=O)N 62a_100009814087_100000702099 [0,1,0,0,0,0|3,0,0]=4 76 B12R1.145 Cn1cncc1SC(F)C(=O)N 62a_100009813875_100009814087 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.145 Cn1cncc1SC(F)C(=O)N 62a_100009814087_100009813875 [0,1,0,0,0,0|3,0,0]=4 78 B12R1.145 Cn1cncc1SC(F)C(=O)[O-] 62a_100009814087_100020610796 [0,1,0,0,0,0|2,0,1]=4 79 B12R1.145 Cn1cncc1SC(F)C(=O)[O-] 62a_100020610796_100009814087 [0,1,0,0,0,0|2,0,1]=4 80 B12R1.145 NC(=O)C(F)Sc1[nH]cnc1Cl 62a_100009813875_100010200774 [0,1,0,0,0,0|3,0,0]=4 81 B12R1.145 NC(=O)C(F)Sc1[nH]cnc1Cl 62a_100010200774_100009813875 [0,1,0,0,0,0|3,0,0]=4 82 B12R1.145 O=C([O-])C(F)Sc1[nH]cnc1Cl 62a_100010200774_100020610796 [0,1,0,0,0,0|2,0,1]=4 83 B12R1.145 O=C([O-])C(F)Sc1[nH]cnc1Cl 62a_100020610796_100010200774 [0,1,0,0,0,0|2,0,1]=4 84 B12R1.298 CN[C@@H](Cc1c[nH]cn1)C(=O)N 2230a_100020587041_200000210301 [0,1,0,0,0,0|1,0,2]=4 85 B12R1.298 [13CH3]N[C@@H](Cc1c[nH]cn1)C(=O)N 2230a_100020587041_200025704644 [0,1,0,0,0,0|1,0,2]=4 86 B12R2.100 Nc1cc2[nH]cnc2cc1O 271570a_203496583355_200010336578 [0,0,0,1,0,0|1,0,2]=4 87 B12R1.260 CN(CC(=O)O)Cc1cncs1 269956a_100000746989_100015185245 [0,0,0,0,0,1|3,0,0]=4 88 B12R1.264 CC(=O)C(C)NCc1cncs1 2230a_100016987365_100009814033 [0,0,0,0,0,1|3,0,0]=4 89 B12R1.264 CC(=O)C(C)NCc1nnc[nH]1 2230a_200015183720_100009814033 [0,0,0,0,0,1|3,0,0]=4 90 B12R1.264 CC(=O)C(C)OCc1cncs1 34a_100000212229_100015185245 [0,0,0,0,0,1|3,0,0]=4 91 B12R1.264 CC(=O)C(C)SCc1cncs1 62a_100009814033_100015185245 [0,0,0,0,0,1|3,0,0]=4 92 B12R1.264 CC(=O)C(C)SCc1cncs1 62a_100015185245_100009814033 [0,0,0,0,0,1|3,0,0]=4 93 B12R1.264 CC(NCc1cncs1)C(=O)N 2230a_100016987365_100000702099 [0,0,0,0,0,1|3,0,0]=4 94 B12R1.264 CC(NCc1nnc[nH]1)C(=O)N 2230a_200015183720_100000702099 [0,0,0,0,0,1|3,0,0]=4 95 B12R1.264 CC(SCc1cncs1)C(=O)N 62a_100000702099_100015185245 [0,0,0,0,0,1|3,0,0]=4 96 B12R1.264 CC(SCc1cncs1)C(=O)N 62a_100015185245_100000702099 [0,0,0,0,0,1|3,0,0]=4 97 B12R1.264 C[C@@H](NCc1cnco1)C(=O)N 270004a_100000119354_100000064291 [0,0,0,0,0,1|3,0,0]=4 98 B12R1.264 C[C@@H](NCc1cncs1)C(=O)N 2230a_100000119354_100015185245 [0,0,0,0,0,1|3,0,0]=4 99 B12R1.264 C[C@@H](NCc1cncs1)C(=O)N 270004a_100000119354_100000749870 [0,0,0,0,0,1|3,0,0]=4 100 B12R1.264 C[C@@H](NCc1cncs1)C(=O)N 34a_100000119354_100015185245 [0,0,0,0,0,1|3,0,0]=4 101 B12R1.264 C[C@@H](OCc1cncs1)C(=O)N 34a_100000731257_100015185245 [0,0,0,0,0,1|3,0,0]=4 102 B12R1.264 C[C@@H](OCc1cncs1)C(=O)N 7a_100000731257_100015185245 [0,0,0,0,0,1|3,0,0]=4 103 B12R1.264 C[C@H](NCc1c[nH]cn1)C(=O)O 269956a_100000743915_100000707719 [0,0,0,0,0,1|1,0,2]=4 104 B12R1.264 C[C@H](NCc1ccn[nH]1)C(=O)O 269956a_100000743915_100000728653 [0,0,0,0,0,1|3,0,0]=4 105 B12R1.264 C[C@H](NCc1ccsc1)C(=O)O 269956a_100000743915_100011261437 [0,0,0,0,0,1|3,0,0]=4 106 B12R1.264 C[C@H](NCc1cncs1)C(=O)O 269956a_100000743915_100015185245 [0,0,0,0,0,1|2,0,0]=3 107 B12R1.264 C[C@H](NCc1cscn1)C(=O)O 269956a_100000743915_100000205941 [0,0,0,0,0,1|2,0,1]=4 108 B12R1.264 C[C@H](NCc1ncc[nH]1)C(=O)O 269956a_100000743915_100000753453 [0,0,0,0,0,1|3,0,0]=4 109 B12R1.264 C[C@H](NCc1nnn[nH]1)C(=O)O 269956a_100000743915_100000765167 [0,0,0,0,0,1|3,0,0]=4 110 B12R1.264 C[C@H](NCn1cncn1)C(=O)O 269956a_100000743915_200020645497 [0,0,0,0,0,1|2,0,1]=4 111 B12R1.264 C[C@H](OCc1cncs1)C(=O)[O-] 7a_217856618621_100015185245 [0,0,0,0,0,1|2,0,1]=4 112 B12R1.264 NC(=O)C(F)NCc1cncs1 2230a_100016987365_100009813875 [0,0,0,0,0,1|3,0,0]=4 113 B12R1.264 NC(=O)C(F)NCc1nnc[nH]1 2230a_200015183720_100009813875 [0,0,0,0,0,1|3,0,0]=4 114 B12R1.264 NC(=O)C(F)SCc1cncs1 62a_100009813875_100015185245 [0,0,0,0,0,1|3,0,0]=4 115 B12R1.264 NC(=O)C(F)SCc1cncs1 62a_100015185245_100009813875 [0,0,0,0,0,1|3,0,0]=4 116 B12R1.264 O=C([O-])C(F)SCc1cncs1 62a_100015185245_100020610796 [0,0,0,0,0,1|2,0,1]=4 117 B12R1.264 O=C([O-])C(F)SCc1cncs1 62a_100020610796_100015185245 [0,0,0,0,0,1|2,0,1]=4 118 B9R1.12 O=CCSc1cnco1 62a_100020591547_200015260668 [2,0,0,0,0,0|2,0,0]=4 119 B9R1.12 O=CCSc1cnco1 62a_200015260668_100020591547 [2,0,0,0,0,0|2,0,0]=4 120 B9R1.12 O=CCSc1cncs1 62a_100011934649_200015260668 [2,0,0,0,0,0|2,0,0]=4 121 B9R1.12 O=CCSc1cncs1 62a_200015260668_100011934649 [2,0,0,0,0,0|2,0,0]=4 122 B11R1.25 CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210202 [1,1,0,0,0,0|2,0,0]=4 123 B11R1.25 CCC(=O)CCc1cnc[nH]1 1458a_100000044180_100000210202 [1,1,0,0,0,0|1,0,0]=3 124 B11R1.25 CCC(=O)CCc1cncs1 1458a_100012184922_100000210202 [1,1,0,0,0,0|2,0,0]=4 125 B11R1.25 CNC(=O)CCc1ccc[nH]1 11a_106832991635_200011998680 [1,1,0,0,0,0|2,0,0]=4 126 B11R1.25 CNC(=O)CCc1ccc[nH]1 240690a_100102657272_200011998680 [1,1,0,0,0,0|2,0,0]=4 127 B11R1.25 CNC(=O)CCc1ccc[nH]1 527a_100102657272_200011998680 [1,1,0,0,0,0|2,0,0]=4 128 B11R1.25 CNC(=O)CCc1cnc[nH]1 240690a_100102657272_100000044180 [1,1,0,0,0,0|1,0,0]=3 129 B11R1.25 CNC(=O)CCc1cnc[nH]1 527a_100102657272_100000044180 [1,1,0,0,0,0|1,0,0]=3 130 B11R1.25 CNC(=O)CCc1cncs1 11a_106832991635_100012184922 [1,1,0,0,0,0|2,0,0]=4 131 B11R1.25 CNC(=O)CCc1cncs1 1626a_100102657272_100012184922 [1,1,0,0,0,0|2,0,0]=4 132 B11R1.25 CNC(=O)CCc1cncs1 240690a_100102657272_100012184922 [1,1,0,0,0,0|2,0,0]=4 133 B11R1.25 CNC(=O)CCc1cncs1 527a_100102657272_100012184922 [1,1,0,0,0,0|2,0,0]=4 134 B11R1.25 COC(=O)CSc1cnco1 62a_100000747449_100020591547 [1,1,0,0,0,0|2,0,0]=4 135 B11R1.25 COC(=O)CSc1cnco1 62a_100020591547_100000747449 [1,1,0,0,0,0|2,0,0]=4 136 B11R1.25 COC(=O)CSc1cncs1 62a_100000747449_100011934649 [1,1,0,0,0,0|2,0,0]=4 137 B11R1.25 COC(=O)CSc1cncs1 62a_100011934649_100000747449 [1,1,0,0,0,0|2,0,0]=4 138 B11R1.25 O=C(CF)CCc1ccc[nH]1 1458a_200011998680_100015361967 [1,1,0,0,0,0|2,0,0]=4 139 B11R1.25 O=C(CF)CCc1cnc[nH]1 1458a_100000044180_100015361967 [1,1,0,0,0,0|1,0,0]=3 140 B11R1.25 O=C(CF)CCc1cncs1 1458a_100012184922_100015361967 [1,1,0,0,0,0|2,0,0]=4 141 B11R1.25 O=C(CO)CCc1c[nH]cn1 1458a_100000210174_100020628418 [1,1,0,0,0,0|0,0,2]=4 142 B11R1.25 O=C(CO)CCc1cccs1 1458a_100000210174_100000748579 [1,1,0,0,0,0|2,0,0]=4 143 B11R1.25 O=C(CO)CCc1cn[nH]c1 1458a_100000210174_100000743252 [1,1,0,0,0,0|2,0,0]=4 144 B11R1.25 O=C(CO)CCc1nnn[nH]1 1458a_100000210174_100000031946 [1,1,0,0,0,0|2,0,0]=4 145 B11R1.25 O=C(CO)CCn1ccnc1 1458a_100000210174_100000702546 [1,1,0,0,0,0|2,0,0]=4 146 B11R1.25 O=C(CO)CCn1cncn1 1458a_100000210174_100000731791 [1,1,0,0,0,0|1,0,1]=4 147 B11R1.25 O=C(CO)NCc1ccc[nH]1 240690a_100000764082_100000210174 [1,1,0,0,0,0|2,0,0]=4 148 B11R1.25 O=C(CO)NCc1ccc[nH]1 527a_100000764082_100000210174 [1,1,0,0,0,0|2,0,0]=4 149 B11R1.25 O=C(CO)NCc1cnco1 240690a_100020634212_100000210174 [1,1,0,0,0,0|2,0,0]=4 150 B11R1.25 O=C(CO)NCc1cnco1 527a_100020634212_100000210174 [1,1,0,0,0,0|2,0,0]=4 151 B11R1.25 O=C(CO)NCc1cncs1 240690a_100016987365_100000210174 [1,1,0,0,0,0|2,0,0]=4 152 B11R1.25 O=C(CO)NCc1cncs1 527a_100016987365_100000210174 [1,1,0,0,0,0|2,0,0]=4 153 B11R1.25 O=C(CO)NCc1nnc[nH]1 240690a_200015183720_100000210174 [1,1,0,0,0,0|2,0,0]=4 154 B11R1.25 O=C(CO)NCc1nnc[nH]1 527a_200015183720_100000210174 [1,1,0,0,0,0|2,0,0]=4 155 B11R1.90 CC(=O)CCc1scnc1C 1458a_100000070787_100000057103 [1,1,0,0,0,0|2,0,0]=4 156 B11R1.90 CC(=O)CCc1scnc1C 1458a_100011934404_200000210301 [1,1,0,0,0,0|2,0,0]=4 157 B11R1.90 CC(=O)NCc1cncn1C 11a_100000732891_100015343762 [1,1,0,0,0,0|2,0,0]=4 158 B11R1.90 CC(=O)NCc1cncn1C 240690a_100000732891_100015343762 [1,1,0,0,0,0|2,0,0]=4 159 B11R1.90 CC(=O)NCc1cncn1C 527a_100000732891_100103153847 [1,1,0,0,0,0|2,0,0]=4 160 B11R1.90 Cc1ncsc1CCC(=O)[13CH3] 1458a_100011934404_200025704644 [1,1,0,0,0,0|2,0,0]=4 161 B11R1.90 Cn1cncc1SCC(=O)N 62a_100000747473_100009814087 [1,1,0,0,0,0|2,0,0]=4 162 B11R1.90 Cn1cncc1SCC(=O)N 62a_100009814087_100000747473 [1,1,0,0,0,0|2,0,0]=4 163 B11R1.90 Cn1cncc1SCC(=O)[O-] 62a_100009814087_100020667443 [1,1,0,0,0,0|1,0,1]=4 164 B11R1.90 Cn1cncc1SCC(=O)[O-] 62a_100020667443_100009814087 [1,1,0,0,0,0|1,0,1]=4 165 B11R1.90 NC(=O)CSc1[nH]cnc1Cl 62a_100000747473_100010200774 [1,1,0,0,0,0|2,0,0]=4 166 B11R1.90 NC(=O)CSc1[nH]cnc1Cl 62a_100010200774_100000747473 [1,1,0,0,0,0|2,0,0]=4 167 B11R1.90 O=C([O-])CSc1[nH]cnc1Cl 62a_100010200774_100020667443 [1,1,0,0,0,0|1,0,1]=4 168 B11R1.90 O=C([O-])CSc1[nH]cnc1Cl 62a_100020667443_100010200774 [1,1,0,0,0,0|1,0,1]=4 169 B11R1.298 CNC(C(=O)O)c1cccs1 269956a_100000684786_200000210301 [0,1,0,0,1,0|2,0,0]=4 170 B11R1.298 CNC(C(=O)O)c1ccsc1 269956a_100000702404_200000210301 [0,1,0,0,1,0|2,0,0]=4 171 B11R1.298 [13CH3]NC(C(=O)O)c1cccs1 269956a_100000684786_200025704644 [0,1,0,0,1,0|2,0,0]=4 172 B11R1.298 [13CH3]NC(C(=O)O)c1ccsc1 269956a_100000702404_200025704644 [0,1,0,0,1,0|2,0,0]=4 173 B13R1.169 C[C@@H](NCc1cncn1C)C(=O)N 270004a_100000119354_100000750899 [0,1,0,0,0,1|2,0,0]=4 174 B13R1.554 COC(=O)C(C)CSc1cnco1 62a_100000698445_100020591547 [0,1,0,0,0,1|2,0,0]=4 175 B13R1.554 COC(=O)C(C)CSc1cnco1 62a_100020591547_100000698445 [0,1,0,0,0,1|2,0,0]=4 176 B13R1.554 COC(=O)C(C)CSc1cncs1 62a_100000698445_100011934649 [0,1,0,0,0,1|2,0,0]=4 177 B13R1.554 COC(=O)C(C)CSc1cncs1 62a_100011934649_100000698445 [0,1,0,0,0,1|2,0,0]=4 178 B13R1.554 COC(=O)C(C)NCc1cncs1 2230a_100016987365_100000211248 [0,1,0,0,0,1|2,0,0]=4 179 B13R1.554 COC(=O)C(C)NCc1nnc[nH]1 2230a_200015183720_100000211248 [0,1,0,0,0,1|2,0,0]=4 180 B13R1.554 COC(=O)C(C)OCc1cncs1 34a_100011215400_100015185245 [0,1,0,0,0,1|2,0,0]=4 181 B13R1.554 COC(=O)C(C)SCc1cncs1 62a_100000211248_100015185245 [0,1,0,0,0,1|2,0,0]=4 182 B13R1.554 COC(=O)C(C)SCc1cncs1 62a_100015185245_100000211248 [0,1,0,0,0,1|2,0,0]=4 183 B13R1.3383 C=C[C@H](NCc1cncs1)C(=O)O 269956a_100016992060_100015185245 [0,1,0,0,0,1|2,0,0]=4 184 B13R1.3383 CC[C@@H](NCc1cncs1)C(=O)O 269956a_100000747097_100015185245 [0,1,0,0,0,1|2,0,0]=4 185 B13R1.3383 O=C(O)C(CO)NCc1cncs1 269956a_100000187304_100015185245 [0,1,0,0,0,1|2,0,0]=4 186 B13R1.3425 C[C@H](NCc1cnc(s1)Br)C(=O)O 269956a_100000743915_100000717027 [0,1,0,0,0,1|2,0,0]=4 187 B13R1.3425 C[C@H](NCc1cnc(s1)Cl)C(=O)O 269956a_100000743915_100000058068 [0,1,0,0,0,1|2,0,0]=4 188 B13R1.3425 Cc1ncc(s1)CN[C@@H](C)C(=O)O 269956a_100000743915_100020635045 [0,1,0,0,0,1|2,0,0]=4 189 B13R1.704 COC(=O)C(C)Sc1[nH]cnc1Cl 62a_100000211248_100010200774 [0,2,0,0,0,0|2,0,0]=4 190 B13R1.704 COC(=O)C(C)Sc1[nH]cnc1Cl 62a_100010200774_100000211248 [0,2,0,0,0,0|2,0,0]=4 191 B13R1.704 COC(=O)C(C)Sc1cncn1C 62a_100000211248_100009814087 [0,2,0,0,0,0|2,0,0]=4 192 B13R1.704 COC(=O)C(C)Sc1cncn1C 62a_100009814087_100000211248 [0,2,0,0,0,0|2,0,0]=4 193 B13R2.430 CC(=O)C1CCc2[nH]cnc2C1 1458a_100015190355_200000210301 [0,0,0,1,0,1|2,0,0]=4 194 B13R2.430 [13CH3]C(=O)C1CCc2[nH]cnc2C1 1458a_100015190355_200025704644 [0,0,0,1,0,1|2,0,0]=4 195 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [1,0,0,0,0,1|2,0,0]=4 196 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [1,0,0,0,0,1|2,0,0]=4 197 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [1,0,0,0,0,1|2,0,0]=4 198 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [1,0,0,0,0,1|2,0,0]=4 199 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [1,0,0,0,0,1|2,0,0]=4 200 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [1,0,0,0,0,1|2,0,0]=4 201 B11R1.172 CC(=O)CCSc1cnco1 62a_100000053229_100020591547 [1,0,0,0,0,1|2,0,0]=4 202 B11R1.172 CC(=O)CCSc1cnco1 62a_100020591547_100000053229 [1,0,0,0,0,1|2,0,0]=4 203 B11R1.172 CC(=O)CCSc1cncs1 62a_100000053229_100011934649 [1,0,0,0,0,1|2,0,0]=4 204 B11R1.172 CC(=O)CCSc1cncs1 62a_100011934649_100000053229 [1,0,0,0,0,1|2,0,0]=4 205 B11R1.172 CC(=O)COCc1cncs1 34a_100000211253_100015185245 [1,0,0,0,0,1|2,0,0]=4 206 B11R1.172 CC(=O)NCCc1cncs1 11a_100016991637_100015343762 [1,0,0,0,0,1|2,0,0]=4 207 B11R1.172 CC(=O)NCCc1cncs1 1626a_100016991637_100015343762 [1,0,0,0,0,1|2,0,0]=4 208 B11R1.172 CC(=O)NCCc1cncs1 240690a_100016991637_100015343762 [1,0,0,0,0,1|2,0,0]=4 209 B11R1.172 CC(=O)NCCc1cncs1 527a_100016991637_100103153847 [1,0,0,0,0,1|2,0,0]=4 210 B11R1.172 CC(O)CNCc1cnc[nH]1 207a_100000210904_100000742939 [1,0,0,0,0,1|1,0,1]=4 211 B11R1.172 NC(=O)CCSc1cnco1 62a_100000744528_100020591547 [1,0,0,0,0,1|2,0,0]=4 212 B11R1.172 NC(=O)CCSc1cnco1 62a_100020591547_100000744528 [1,0,0,0,0,1|2,0,0]=4 213 B11R1.172 NC(=O)CCSc1cncs1 62a_100000744528_100011934649 [1,0,0,0,0,1|2,0,0]=4 214 B11R1.172 NC(=O)CCSc1cncs1 62a_100011934649_100000744528 [1,0,0,0,0,1|2,0,0]=4 215 B11R1.172 NC(=O)CNCc1cncs1 2230a_100000711301_100015185245 [1,0,0,0,0,1|2,0,0]=4 216 B11R1.172 NC(=O)CNCc1cncs1 2230a_100016987365_100000747473 [1,0,0,0,0,1|2,0,0]=4 217 B11R1.172 NC(=O)CNCc1nnc[nH]1 2230a_200015183720_100000747473 [1,0,0,0,0,1|2,0,0]=4 218 B11R1.172 NC(=O)CSCc1cncs1 62a_100000747473_100015185245 [1,0,0,0,0,1|2,0,0]=4 219 B11R1.172 NC(=O)CSCc1cncs1 62a_100015185245_100000747473 [1,0,0,0,0,1|2,0,0]=4 220 B11R1.172 O=C(O)CNCc1c[nH]cn1 269956a_100016091260_100000707719 [1,0,0,0,0,1|0,0,2]=4 221 B11R1.172 O=C(O)CNCc1ccn[nH]1 269956a_100016091260_100000728653 [1,0,0,0,0,1|2,0,0]=4 222 B11R1.172 O=C(O)CNCc1ccsc1 269956a_100016091260_100011261437 [1,0,0,0,0,1|2,0,0]=4 223 B11R1.172 O=C(O)CNCc1cncs1 269956a_100016091260_100015185245 [1,0,0,0,0,1|1,0,0]=3 224 B11R1.172 O=C(O)CNCc1cscn1 269956a_100016091260_100000205941 [1,0,0,0,0,1|1,0,1]=4 225 B11R1.172 O=C(O)CNCc1ncc[nH]1 269956a_100016091260_100000753453 [1,0,0,0,0,1|2,0,0]=4 226 B11R1.172 O=C(O)CNCc1nnn[nH]1 269956a_100016091260_100000765167 [1,0,0,0,0,1|2,0,0]=4 227 B11R1.172 O=C(O)CNCn1cncn1 269956a_100016091260_200020645497 [1,0,0,0,0,1|1,0,1]=4 228 B11R1.172 O=C([O-])CSCc1cncs1 62a_100015185245_100020667443 [1,0,0,0,0,1|1,0,1]=4 229 B11R1.172 O=C([O-])CSCc1cncs1 62a_100020667443_100015185245 [1,0,0,0,0,1|1,0,1]=4 230 B13R1.351 C[C@H](NCc1cccnc1)C(=O)O 269956a_100000743915_100000733263 [0,0,0,0,0,2|2,0,0]=4 231 B13R1.351 C[C@H](NCc1ccncc1)C(=O)O 269956a_100000743915_100015193705 [0,0,0,0,0,2|2,0,0]=4 232 B13R1.351 C[C@H](NCc1cnccn1)C(=O)O 269956a_100000743915_100016995436 [0,0,0,0,0,2|1,0,1]=4 233 B13R1.351 C[C@H](NCc1cncnc1)C(=O)O 269956a_100000743915_100016991940 [0,0,0,0,0,2|1,0,1]=4 234 B13R1.1110 CC(CNCc1cncs1)C(=O)O 269956a_100000749485_100015185245 [0,0,0,0,0,2|2,0,0]=4 235 B13R1.1110 NC(=O)[C@@H](N)COCc1cncs1 34a_100000729942_100015185245 [0,0,0,0,0,2|2,0,0]=4 236 B13R1.1110 O=C(O)C(F)CNCc1cncs1 269956a_100000084737_100015185245 [0,0,0,0,0,2|2,0,0]=4