0 B11R1.35 CC(=O)C(C)Cn1cccn1 1458a_100000740329_200000210301 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.35 CC(=O)C(C)Sc1ccco1 62a_100009814033_100009814098 [0,0,0,0,0,0|3,1,0]=4 2 B11R1.35 CC(=O)C(C)Sc1ccco1 62a_100009814098_100009814033 [0,0,0,0,0,0|3,1,0]=4 3 B11R1.35 CC(=O)C(C)Sc1cccs1 62a_100009814033_100011215356 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.35 CC(=O)C(C)Sc1cccs1 62a_100011215356_100009814033 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.35 CC(=O)C(C)Sc1cncs1 62a_100009814033_100011934649 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.35 CC(=O)C(C)Sc1cncs1 62a_100011934649_100009814033 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.35 CC(=O)C(C)Sc1nccs1 62a_100000211983_100009814033 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.35 CC(=O)C(C)Sc1nccs1 62a_100009814033_100000211983 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.35 CC(=O)N(C)Cc1ccco1 11a_100000185268_100015343762 [0,0,0,0,0,0|3,1,0]=4 10 B11R1.35 CC(=O)N(C)Cc1ccco1 240690a_100000185268_100015343762 [0,0,0,0,0,0|3,1,0]=4 11 B11R1.35 CC(=O)N(C)Cc1ccco1 527a_100000185268_100103153847 [0,0,0,0,0,0|3,1,0]=4 12 B11R1.35 CC(=O)N(C)Cc1cccs1 11a_100000184426_100015343762 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.35 CC(=O)N(C)Cc1cccs1 240690a_100000184426_100015343762 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.35 CC(=O)N(C)Cc1cccs1 527a_100000184426_100103153847 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.35 CC(=O)N(C)Cc1nccs1 11a_100000765864_100015343762 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.35 CC(=O)N(C)Cc1nccs1 240690a_100000765864_100015343762 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.35 CC(=O)N(C)Cc1nccs1 527a_100000765864_100103153847 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.35 CC(Cn1cccn1)C(=O)[13CH3] 1458a_100000740329_200025704644 [0,0,0,0,0,0|4,0,0]=4 19 B11R1.35 CC(Sc1ccco1)C(=O)N 62a_100000702099_100009814098 [0,0,0,0,0,0|3,1,0]=4 20 B11R1.35 CC(Sc1ccco1)C(=O)N 62a_100009814098_100000702099 [0,0,0,0,0,0|3,1,0]=4 21 B11R1.35 CC(Sc1cccs1)C(=O)N 62a_100000702099_100011215356 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.35 CC(Sc1cccs1)C(=O)N 62a_100011215356_100000702099 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.35 CC(Sc1cncs1)C(=O)N 62a_100000702099_100011934649 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.35 CC(Sc1cncs1)C(=O)N 62a_100011934649_100000702099 [0,0,0,0,0,0|4,0,0]=4 25 B11R1.35 CC(Sc1nccs1)C(=O)N 62a_100000211983_100000702099 [0,0,0,0,0,0|4,0,0]=4 26 B11R1.35 CC(Sc1nccs1)C(=O)N 62a_100000702099_100000211983 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.35 NC(=O)C(F)Sc1ccco1 62a_100009813875_100009814098 [0,0,0,0,0,0|3,1,0]=4 28 B11R1.35 NC(=O)C(F)Sc1ccco1 62a_100009814098_100009813875 [0,0,0,0,0,0|3,1,0]=4 29 B11R1.35 NC(=O)C(F)Sc1cccs1 62a_100009813875_100011215356 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.35 NC(=O)C(F)Sc1cccs1 62a_100011215356_100009813875 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.35 NC(=O)C(F)Sc1cncs1 62a_100009813875_100011934649 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.35 NC(=O)C(F)Sc1cncs1 62a_100011934649_100009813875 [0,0,0,0,0,0|4,0,0]=4 33 B11R1.35 NC(=O)C(F)Sc1nccs1 62a_100000211983_100009813875 [0,0,0,0,0,0|4,0,0]=4 34 B11R1.35 NC(=O)C(F)Sc1nccs1 62a_100009813875_100000211983 [0,0,0,0,0,0|4,0,0]=4 35 B11R1.35 O=C([O-])C(F)Sc1ccco1 62a_100009814098_100020610796 [0,0,0,0,0,0|2,1,1]=4 36 B11R1.35 O=C([O-])C(F)Sc1ccco1 62a_100020610796_100009814098 [0,0,0,0,0,0|2,1,1]=4 37 B11R1.35 O=C([O-])C(F)Sc1cccs1 62a_100011215356_100020610796 [0,0,0,0,0,0|2,0,1]=3 38 B11R1.35 O=C([O-])C(F)Sc1cccs1 62a_100020610796_100011215356 [0,0,0,0,0,0|2,0,1]=3 39 B11R1.35 O=C([O-])C(F)Sc1cncs1 62a_100011934649_100020610796 [0,0,0,0,0,0|3,0,1]=4 40 B11R1.35 O=C([O-])C(F)Sc1cncs1 62a_100020610796_100011934649 [0,0,0,0,0,0|3,0,1]=4 41 B11R1.35 O=C([O-])C(F)Sc1nccs1 62a_100000211983_100020610796 [0,0,0,0,0,0|3,0,1]=4 42 B11R1.35 O=C([O-])C(F)Sc1nccs1 62a_100020610796_100000211983 [0,0,0,0,0,0|3,0,1]=4 43 B10R1.27 C=CC(C)Sc1cccs1 62a_100011215867_100011215356 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.27 CC(CO)Sc1cccs1 62a_100012180447_100011215356 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.27 CC(Cc1cccs1)N[13CH3] 2230a_100000751415_200025704644 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.27 CNC(C)Cc1cccs1 2230a_100000751415_200000210301 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.27 C[C@H](CO)Sc1cccs1 62a_100011215356_100016084084 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.27 C[C@H](CO)Sc1cccs1 62a_100016084084_100011215356 [1,0,0,0,0,0|2,0,1]=4 49 B10R1.66 C=C(C)CSc1cccs1 62a_100000748629_100011215356 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.66 C=C(C)CSc1cccs1 62a_100011215356_100000211660 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.66 C=C(F)CSc1cccs1 62a_100000042424_100011215356 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.66 C=C(F)CSc1cccs1 62a_100011215356_100000042424 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.66 CC(=O)C=Cc1cccs1 1458a_100000182767_200000210301 [1,0,0,0,0,0|1,0,2]=4 54 B10R1.66 CC(=O)CCc1c[nH]cn1 1458a_100000070787_100020628418 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.66 CC(=O)CCc1cc[nH]c1 1458a_200000093579_200000210301 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [1,0,0,0,0,0|1,1,0]=3 58 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [1,0,0,0,0,0|1,0,0]=2 59 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [1,0,0,0,0,0|1,0,0]=2 60 B10R1.66 CC(=O)CCc1ccsc1 1458a_100000195497_200000210301 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.66 CC(=O)CCc1cnc[nH]1 1458a_100000044180_200000210301 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.66 CC(=O)CCc1cncs1 1458a_100012184922_200000210301 [1,0,0,0,0,0|2,0,0]=3 63 B10R1.66 CC(=O)CCc1ncc[nH]1 1458a_100000722789_200000210301 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.66 CC(=O)CCc1nccs1 1458a_100000742873_200000210301 [1,0,0,0,0,0|2,0,0]=3 65 B10R1.66 CC(=O)CCn1cccc1 1458a_100000070787_200000035178 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.66 CC(=O)CCn1cccc1 1458a_100011196273_200000210301 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.66 CC(=O)CCn1cccn1 1458a_100000070787_100000685285 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.66 CC(=O)CCn1cccn1 1458a_100000242649_200000210301 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.66 CC(=O)NCc1ccc[nH]1 11a_100000764082_100015343762 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.66 CC(=O)NCc1ccc[nH]1 240690a_100000764082_100015343762 [1,0,0,0,0,0|3,0,0]=4 71 B10R1.66 CC(=O)NCc1ccc[nH]1 527a_100000764082_100103153847 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.66 CC(=O)NCc1ccco1 11a_100000185738_100015343762 [1,0,0,0,0,0|2,1,0]=4 73 B10R1.66 CC(=O)NCc1ccco1 1626a_100000185738_100015343762 [1,0,0,0,0,0|2,1,0]=4 74 B10R1.66 CC(=O)NCc1ccco1 240690a_100000185738_100015343762 [1,0,0,0,0,0|2,1,0]=4 75 B10R1.66 CC(=O)NCc1ccco1 527a_100000185738_100103153847 [1,0,0,0,0,0|2,1,0]=4 76 B10R1.66 CC(=O)NCc1cccs1 11a_100000211653_100015343762 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.66 CC(=O)NCc1cccs1 1626a_100000211653_100015343762 [1,0,0,0,0,0|2,0,0]=3 78 B10R1.66 CC(=O)NCc1cccs1 240690a_100000211653_100015343762 [1,0,0,0,0,0|2,0,0]=3 79 B10R1.66 CC(=O)NCc1cccs1 527a_100000211653_100103153847 [1,0,0,0,0,0|2,0,0]=3 80 B10R1.66 CC(=O)NCc1cncs1 11a_100016987365_100015343762 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.66 CC(=O)NCc1cncs1 240690a_100016987365_100015343762 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.66 CC(=O)NCc1cncs1 527a_100016987365_100103153847 [1,0,0,0,0,0|3,0,0]=4 83 B10R1.66 CC(=O)NCc1nccs1 11a_100000740555_100015343762 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.66 CC(=O)NCc1nccs1 1626a_100000740555_100015343762 [1,0,0,0,0,0|3,0,0]=4 85 B10R1.66 CC(=O)NCc1nccs1 240690a_100000740555_100015343762 [1,0,0,0,0,0|3,0,0]=4 86 B10R1.66 CC(=O)NCc1nccs1 527a_100000740555_100103153847 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.66 CC(O)CSc1cccs1 62a_100011215356_100011218427 [1,0,0,0,0,0|2,0,1]=4 88 B10R1.66 CC(O)CSc1cccs1 62a_100011218427_100011215356 [1,0,0,0,0,0|2,0,1]=4 89 B10R1.66 CN(C)CCc1cccs1 2230a_100102631434_100000748579 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.66 CN(C)CCc1cccs1 269982a_100102631434_100000748579 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.66 C[C@@H](O)CSc1cccs1 62a_100009817552_100011215356 [1,0,0,0,0,0|2,0,1]=4 92 B10R1.66 C[C@@H](O)CSc1cccs1 62a_100011215356_100009817552 [1,0,0,0,0,0|2,0,1]=4 93 B10R1.66 NC(=O)CSc1ccco1 62a_100000747473_100009814098 [1,0,0,0,0,0|2,1,0]=4 94 B10R1.66 NC(=O)CSc1ccco1 62a_100009814098_100000747473 [1,0,0,0,0,0|2,1,0]=4 95 B10R1.66 NC(=O)CSc1cccs1 62a_100000747473_100011215356 [1,0,0,0,0,0|2,0,0]=3 96 B10R1.66 NC(=O)CSc1cccs1 62a_100011215356_100000747473 [1,0,0,0,0,0|2,0,0]=3 97 B10R1.66 NC(=O)CSc1cncs1 62a_100000747473_100011934649 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.66 NC(=O)CSc1cncs1 62a_100011934649_100000747473 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.66 NC(=O)CSc1nccs1 62a_100000211983_100000747473 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.66 NC(=O)CSc1nccs1 62a_100000747473_100000211983 [1,0,0,0,0,0|3,0,0]=4 101 B10R1.66 O=C([O-])CSc1ccco1 62a_100009814098_100020667443 [1,0,0,0,0,0|1,1,1]=4 102 B10R1.66 O=C([O-])CSc1ccco1 62a_100020667443_100009814098 [1,0,0,0,0,0|1,1,1]=4 103 B10R1.66 O=C([O-])CSc1cccs1 62a_100011215356_100020667443 [1,0,0,0,0,0|1,0,1]=3 104 B10R1.66 O=C([O-])CSc1cccs1 62a_100020667443_100011215356 [1,0,0,0,0,0|1,0,1]=3 105 B10R1.66 O=C([O-])CSc1cncs1 62a_100011934649_100020667443 [1,0,0,0,0,0|2,0,1]=4 106 B10R1.66 O=C([O-])CSc1cncs1 62a_100020667443_100011934649 [1,0,0,0,0,0|2,0,1]=4 107 B10R1.66 O=C([O-])CSc1nccs1 62a_100000211983_100020667443 [1,0,0,0,0,0|2,0,1]=4 108 B10R1.66 O=C([O-])CSc1nccs1 62a_100020667443_100000211983 [1,0,0,0,0,0|2,0,1]=4 109 B10R1.66 O=[N+]([O-])CSc1cccs1 62a_100011215356_100000761209 [1,0,0,0,0,0|2,0,1]=4 110 B10R1.66 [13CH3]C(=O)C=Cc1cccs1 1458a_100000182767_200025704644 [1,0,0,0,0,0|1,0,2]=4 111 B10R1.66 [13CH3]C(=O)CCc1cc[nH]c1 1458a_200000093579_200025704644 [1,0,0,0,0,0|3,0,0]=4 112 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [1,0,0,0,0,0|2,0,0]=3 113 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [1,0,0,0,0,0|1,1,0]=3 114 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [1,0,0,0,0,0|1,0,0]=2 115 B10R1.66 [13CH3]C(=O)CCc1ccsc1 1458a_100000195497_200025704644 [1,0,0,0,0,0|3,0,0]=4 116 B10R1.66 [13CH3]C(=O)CCc1cnc[nH]1 1458a_100000044180_200025704644 [1,0,0,0,0,0|3,0,0]=4 117 B10R1.66 [13CH3]C(=O)CCc1cncs1 1458a_100012184922_200025704644 [1,0,0,0,0,0|2,0,0]=3 118 B10R1.66 [13CH3]C(=O)CCc1ncc[nH]1 1458a_100000722789_200025704644 [1,0,0,0,0,0|3,0,0]=4 119 B10R1.66 [13CH3]C(=O)CCc1nccs1 1458a_100000742873_200025704644 [1,0,0,0,0,0|2,0,0]=3 120 B10R1.66 [13CH3]C(=O)CCn1cccc1 1458a_100011196273_200025704644 [1,0,0,0,0,0|3,0,0]=4 121 B10R1.66 [13CH3]C(=O)CCn1cccn1 1458a_100000242649_200025704644 [1,0,0,0,0,0|3,0,0]=4 122 B12R1.104 CC(=O)C(C)Sc1cc(cs1)C 62a_100009814033_100009876951 [0,1,0,0,0,0|3,0,0]=4 123 B12R1.104 CC(=O)C(C)Sc1cc(cs1)C 62a_100009876951_100009814033 [0,1,0,0,0,0|3,0,0]=4 124 B12R1.104 CC(=O)C(C)Sc1ccc(s1)Br 62a_100009814033_100010197418 [0,1,0,0,0,0|3,0,0]=4 125 B12R1.104 CC(=O)C(C)Sc1ccc(s1)Br 62a_100010197418_100009814033 [0,1,0,0,0,0|3,0,0]=4 126 B12R1.104 CC(=O)C(C)Sc1ccc(s1)C 62a_100000031368_100009814033 [0,1,0,0,0,0|3,0,0]=4 127 B12R1.104 CC(=O)C(C)Sc1ccc(s1)C 62a_100009814033_100000031368 [0,1,0,0,0,0|3,0,0]=4 128 B12R1.104 CC(=O)N(C)Cc1cc(cs1)Br 11a_100000207611_100015343762 [0,1,0,0,0,0|3,0,0]=4 129 B12R1.104 CC(=O)N(C)Cc1cc(cs1)Br 240690a_100000207611_100015343762 [0,1,0,0,0,0|3,0,0]=4 130 B12R1.104 CC(=O)N(C)Cc1cc(cs1)Br 527a_100000207611_100103153847 [0,1,0,0,0,0|3,0,0]=4 131 B12R1.104 CC(=O)N(C)Cc1cc(cs1)C 11a_100011502060_100015343762 [0,1,0,0,0,0|3,0,0]=4 132 B12R1.104 CC(=O)N(C)Cc1cc(cs1)C 1626a_100011502060_100015343762 [0,1,0,0,0,0|3,0,0]=4 133 B12R1.104 CC(=O)N(C)Cc1cc(cs1)C 240690a_100011502060_100015343762 [0,1,0,0,0,0|3,0,0]=4 134 B12R1.104 CC(=O)N(C)Cc1cc(cs1)C 527a_100011502060_100103153847 [0,1,0,0,0,0|3,0,0]=4 135 B12R1.104 CC(=O)N(C)Cc1ccc(s1)C 11a_100000751125_100015343762 [0,1,0,0,0,0|3,0,0]=4 136 B12R1.104 CC(=O)N(C)Cc1ccc(s1)C 1626a_100000751125_100015343762 [0,1,0,0,0,0|3,0,0]=4 137 B12R1.104 CC(=O)N(C)Cc1ccc(s1)C 527a_100000751125_100103153847 [0,1,0,0,0,0|3,0,0]=4 138 B12R1.104 CC(Sc1ccc(s1)Br)C(=O)N 62a_100000702099_100010197418 [0,1,0,0,0,0|3,0,0]=4 139 B12R1.104 CC(Sc1ccc(s1)Br)C(=O)N 62a_100010197418_100000702099 [0,1,0,0,0,0|3,0,0]=4 140 B12R1.104 Cc1ccc(s1)SC(C)C(=O)N 62a_100000031368_100000702099 [0,1,0,0,0,0|3,0,0]=4 141 B12R1.104 Cc1ccc(s1)SC(C)C(=O)N 62a_100000702099_100000031368 [0,1,0,0,0,0|3,0,0]=4 142 B12R1.104 Cc1ccc(s1)SC(F)C(=O)N 62a_100000031368_100009813875 [0,1,0,0,0,0|3,0,0]=4 143 B12R1.104 Cc1ccc(s1)SC(F)C(=O)N 62a_100009813875_100000031368 [0,1,0,0,0,0|3,0,0]=4 144 B12R1.104 Cc1ccc(s1)SC(F)C(=O)[O-] 62a_100000031368_100020610796 [0,1,0,0,0,0|2,0,1]=4 145 B12R1.104 Cc1ccc(s1)SC(F)C(=O)[O-] 62a_100020610796_100000031368 [0,1,0,0,0,0|2,0,1]=4 146 B12R1.104 Cc1csc(c1)SC(C)C(=O)N 62a_100000702099_100009876951 [0,1,0,0,0,0|3,0,0]=4 147 B12R1.104 Cc1csc(c1)SC(C)C(=O)N 62a_100009876951_100000702099 [0,1,0,0,0,0|3,0,0]=4 148 B12R1.104 Cc1csc(c1)SC(F)C(=O)N 62a_100009813875_100009876951 [0,1,0,0,0,0|3,0,0]=4 149 B12R1.104 Cc1csc(c1)SC(F)C(=O)N 62a_100009876951_100009813875 [0,1,0,0,0,0|3,0,0]=4 150 B12R1.104 Cc1csc(c1)SC(F)C(=O)[O-] 62a_100009876951_100020610796 [0,1,0,0,0,0|2,0,1]=4 151 B12R1.104 Cc1csc(c1)SC(F)C(=O)[O-] 62a_100020610796_100009876951 [0,1,0,0,0,0|2,0,1]=4 152 B12R1.104 NC(=O)C(F)Sc1ccc(s1)Br 62a_100009813875_100010197418 [0,1,0,0,0,0|3,0,0]=4 153 B12R1.104 NC(=O)C(F)Sc1ccc(s1)Br 62a_100010197418_100009813875 [0,1,0,0,0,0|3,0,0]=4 154 B12R1.104 O=C([O-])C(F)Sc1ccc(s1)Br 62a_100010197418_100020610796 [0,1,0,0,0,0|2,0,1]=4 155 B12R1.104 O=C([O-])C(F)Sc1ccc(s1)Br 62a_100020610796_100010197418 [0,1,0,0,0,0|2,0,1]=4 156 B12R1.108 C=CC(=O)N(C)Cc1cccs1 240690a_100000184426_200121576911 [0,1,0,0,0,0|3,0,0]=4 157 B12R1.108 CCC(=O)C(C)Sc1cccs1 62a_100000742827_100011215356 [0,1,0,0,0,0|3,0,0]=4 158 B12R1.108 CCC(=O)C(C)Sc1cccs1 62a_100011215356_100000742827 [0,1,0,0,0,0|3,0,0]=4 159 B12R1.108 CCC(=O)N(C)Cc1cccs1 11a_100000184426_100000210414 [0,1,0,0,0,0|3,0,0]=4 160 B12R1.108 CCC(=O)N(C)Cc1cccs1 240690a_100000184426_100000210414 [0,1,0,0,0,0|3,0,0]=4 161 B12R1.108 CCC(=O)N(C)Cc1cccs1 527a_100000184426_100000210414 [0,1,0,0,0,0|3,0,0]=4 162 B12R1.108 CN(Cc1ccco1)C(=O)CO 240690a_100000185268_100000210174 [0,1,0,0,0,0|2,1,0]=4 163 B12R1.108 CN(Cc1ccco1)C(=O)CO 527a_100000185268_100000210174 [0,1,0,0,0,0|2,1,0]=4 164 B12R1.108 CN(Cc1cccs1)C(=O)CO 240690a_100000184426_100000210174 [0,1,0,0,0,0|2,0,0]=3 165 B12R1.108 CN(Cc1cccs1)C(=O)CO 527a_100000184426_100000210174 [0,1,0,0,0,0|2,0,0]=3 166 B12R1.108 CN(Cc1nccs1)C(=O)CO 240690a_100000765864_100000210174 [0,1,0,0,0,0|3,0,0]=4 167 B12R1.108 CN(Cc1nccs1)C(=O)CO 527a_100000765864_100000210174 [0,1,0,0,0,0|3,0,0]=4 168 B12R1.108 CNC(=O)C(C)Sc1cccs1 62a_100000209862_100011215356 [0,1,0,0,0,0|3,0,0]=4 169 B12R1.108 CNC(=O)C(C)Sc1cccs1 62a_100011215356_100000731044 [0,1,0,0,0,0|3,0,0]=4 170 B12R1.108 CNC(=O)C(F)Sc1cccs1 62a_100009813575_100011215356 [0,1,0,0,0,0|3,0,0]=4 171 B12R1.108 CNC(=O)C(F)Sc1cccs1 62a_100011215356_100009813575 [0,1,0,0,0,0|3,0,0]=4 172 B12R1.108 CNC(=O)N(C)Cc1cccs1 2708a_100102657272_100000184426 [0,1,0,0,0,0|3,0,0]=4 173 B12R1.108 COC(=O)C(C)Sc1ccco1 62a_100000211248_100009814098 [0,1,0,0,0,0|2,1,0]=4 174 B12R1.108 COC(=O)C(C)Sc1ccco1 62a_100009814098_100000211248 [0,1,0,0,0,0|2,1,0]=4 175 B12R1.108 COC(=O)C(C)Sc1cccs1 62a_100000211248_100011215356 [0,1,0,0,0,0|2,0,0]=3 176 B12R1.108 COC(=O)C(C)Sc1cccs1 62a_100011215356_100000211248 [0,1,0,0,0,0|2,0,0]=3 177 B12R1.108 COC(=O)C(C)Sc1cncs1 62a_100000211248_100011934649 [0,1,0,0,0,0|3,0,0]=4 178 B12R1.108 COC(=O)C(C)Sc1cncs1 62a_100011934649_100000211248 [0,1,0,0,0,0|3,0,0]=4 179 B12R1.108 COC(=O)C(C)Sc1nccs1 62a_100000211248_100000211983 [0,1,0,0,0,0|3,0,0]=4 180 B12R1.108 COC(=O)C(C)Sc1nccs1 62a_100000211983_100000211248 [0,1,0,0,0,0|3,0,0]=4 181 B12R1.120 CC(=O)C(C)C(=O)c1cccs1 1458a_100000070787_100011262360 [0,1,0,0,0,0|2,0,1]=4 182 B12R1.120 CC(=O)N(C)C(C)c1cccs1 1626a_100000186410_100015343762 [0,1,0,0,0,0|3,0,0]=4 183 B12R1.120 CC(=O)N(C)C(C)c1cccs1 240690a_100000186410_100015343762 [0,1,0,0,0,0|3,0,0]=4 184 B12R1.120 CC(=O)N(C)C(C)c1cccs1 527a_100000186410_100103153847 [0,1,0,0,0,0|3,0,0]=4 185 B12R1.145 CC(=O)C(C)Sc1sccc1Br 62a_100009814033_100012361411 [0,1,0,0,0,0|3,0,0]=4 186 B12R1.145 CC(=O)C(C)Sc1sccc1Br 62a_100012361411_100009814033 [0,1,0,0,0,0|3,0,0]=4 187 B12R1.145 CC(=O)C(C)Sc1sccc1C 62a_100009814033_100010247149 [0,1,0,0,0,0|3,0,0]=4 188 B12R1.145 CC(=O)C(C)Sc1sccc1C 62a_100010247149_100009814033 [0,1,0,0,0,0|3,0,0]=4 189 B12R1.145 CC(=O)N(C)Cc1sccc1Br 11a_100000767120_100015343762 [0,1,0,0,0,0|3,0,0]=4 190 B12R1.145 CC(=O)N(C)Cc1sccc1Br 1626a_100000767120_100015343762 [0,1,0,0,0,0|3,0,0]=4 191 B12R1.145 CC(=O)N(C)Cc1sccc1Br 240690a_100000767120_100015343762 [0,1,0,0,0,0|3,0,0]=4 192 B12R1.145 CC(=O)N(C)Cc1sccc1Br 527a_100000767120_100103153847 [0,1,0,0,0,0|3,0,0]=4 193 B12R1.145 CC(=O)N(C)Cc1sccc1C 11a_100000695154_100015343762 [0,1,0,0,0,0|3,0,0]=4 194 B12R1.145 CC(=O)N(C)Cc1sccc1C 1626a_100000695154_100015343762 [0,1,0,0,0,0|3,0,0]=4 195 B12R1.145 CC(=O)N(C)Cc1sccc1C 240690a_100000695154_100015343762 [0,1,0,0,0,0|3,0,0]=4 196 B12R1.145 CC(=O)N(C)Cc1sccc1C 527a_100000695154_100103153847 [0,1,0,0,0,0|3,0,0]=4 197 B12R1.145 CC(Sc1sccc1Br)C(=O)N 62a_100000702099_100012361411 [0,1,0,0,0,0|3,0,0]=4 198 B12R1.145 CC(Sc1sccc1Br)C(=O)N 62a_100012361411_100000702099 [0,1,0,0,0,0|3,0,0]=4 199 B12R1.145 Cc1ccsc1SC(C)C(=O)N 62a_100000702099_100010247149 [0,1,0,0,0,0|3,0,0]=4 200 B12R1.145 Cc1ccsc1SC(C)C(=O)N 62a_100010247149_100000702099 [0,1,0,0,0,0|3,0,0]=4 201 B12R1.145 Cc1ccsc1SC(F)C(=O)N 62a_100009813875_100010247149 [0,1,0,0,0,0|3,0,0]=4 202 B12R1.145 Cc1ccsc1SC(F)C(=O)N 62a_100010247149_100009813875 [0,1,0,0,0,0|3,0,0]=4 203 B12R1.145 Cc1ccsc1SC(F)C(=O)[O-] 62a_100010247149_100020610796 [0,1,0,0,0,0|2,0,1]=4 204 B12R1.145 Cc1ccsc1SC(F)C(=O)[O-] 62a_100020610796_100010247149 [0,1,0,0,0,0|2,0,1]=4 205 B12R1.145 NC(=O)C(F)Sc1sccc1Br 62a_100009813875_100012361411 [0,1,0,0,0,0|3,0,0]=4 206 B12R1.145 NC(=O)C(F)Sc1sccc1Br 62a_100012361411_100009813875 [0,1,0,0,0,0|3,0,0]=4 207 B12R1.145 O=C([O-])C(F)Sc1sccc1Br 62a_100012361411_100020610796 [0,1,0,0,0,0|2,0,1]=4 208 B12R1.145 O=C([O-])C(F)Sc1sccc1Br 62a_100020610796_100012361411 [0,1,0,0,0,0|2,0,1]=4 209 B12R1.298 CCC(Sc1cccs1)C(=O)N 62a_100000750255_100011215356 [0,1,0,0,0,0|3,0,0]=4 210 B12R1.298 CCC(Sc1cccs1)C(=O)N 62a_100011215356_100000750255 [0,1,0,0,0,0|3,0,0]=4 211 B12R1.298 CCN(Cc1cccs1)C(=O)C 11a_100025770963_100015343762 [0,1,0,0,0,0|3,0,0]=4 212 B12R1.298 CCN(Cc1cccs1)C(=O)C 1626a_100025770963_100015343762 [0,1,0,0,0,0|3,0,0]=4 213 B12R1.298 CCN(Cc1cccs1)C(=O)C 240690a_100025770963_100015343762 [0,1,0,0,0,0|3,0,0]=4 214 B12R1.298 CCN(Cc1cccs1)C(=O)C 527a_100025770963_100103153847 [0,1,0,0,0,0|3,0,0]=4 215 B12R1.298 CN[C@@H](Cc1c[nH]cn1)C(=O)N 2230a_100020587041_200000210301 [0,1,0,0,0,0|3,0,0]=4 216 B12R1.298 [13CH3]N[C@@H](Cc1c[nH]cn1)C(=O)N 2230a_100020587041_200025704644 [0,1,0,0,0,0|3,0,0]=4 217 B12R1.1373 CC(=O)C(C)(C)Sc1cccs1 62a_100000075568_100011215356 [0,1,0,0,0,0|3,0,0]=4 218 B12R1.1373 CC(=O)C(C)(C)Sc1cccs1 62a_100011215356_100000075568 [0,1,0,0,0,0|3,0,0]=4 219 B12R1.1373 CC(C)(Sc1cccs1)C(=O)N 62a_100000702505_100011215356 [0,1,0,0,0,0|3,0,0]=4 220 B12R1.1373 CC(C)(Sc1cccs1)C(=O)N 62a_100011215356_100000702505 [0,1,0,0,0,0|3,0,0]=4 221 B12R1.1373 NC(=O)C(F)(F)Sc1cccs1 62a_100009811971_100011215356 [0,1,0,0,0,0|3,0,0]=4 222 B12R1.1373 NC(=O)C(F)(F)Sc1cccs1 62a_100011215356_100009811971 [0,1,0,0,0,0|3,0,0]=4 223 B12R1.1373 O=C([O-])C(F)(F)Sc1cccs1 62a_100000745680_100011215356 [0,1,0,0,0,0|2,0,1]=4 224 B12R1.1373 O=C([O-])C(F)(F)Sc1cccs1 62a_100011215356_100000745680 [0,1,0,0,0,0|2,0,1]=4 225 B12R2.12 O=C1CCC1Sc2cccs2 62a_100009892977_100011215356 [0,0,0,1,0,0|3,0,0]=4 226 B12R2.12 O=C1CCC1Sc2cccs2 62a_100011215356_100009892977 [0,0,0,1,0,0|3,0,0]=4 227 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [0,0,0,0,0,1|3,0,0]=4 228 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [0,0,0,0,0,1|3,0,0]=4 229 B12R1.43 CC(=O)C(C)Cc1ccccn1 1458a_100012000792_200000210301 [0,0,0,0,0,1|3,0,0]=4 230 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [0,0,0,0,0,1|3,0,0]=4 231 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [0,0,0,0,0,1|3,0,0]=4 232 B12R1.43 CC(Cc1ccccn1)C(=O)[13CH3] 1458a_100012000792_200025704644 [0,0,0,0,0,1|3,0,0]=4 233 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [0,0,0,0,0,1|3,0,0]=4 234 B12R1.260 CC(=O)NC(C)Cc1cccs1 11a_100000751415_100015343762 [0,0,0,0,0,1|2,0,0]=3 235 B12R1.260 CC(=O)NC(C)Cc1cccs1 1626a_100000751415_100015343762 [0,0,0,0,0,1|2,0,0]=3 236 B12R1.260 CC(=O)NC(C)Cc1cccs1 240690a_100000751415_100015343762 [0,0,0,0,0,1|2,0,0]=3 237 B12R1.260 CC(=O)NC(C)Cc1cccs1 527a_100000751415_100103153847 [0,0,0,0,0,1|2,0,0]=3 238 B12R1.260 CC(=O)OC(C)Sc1cccs1 62a_100009818208_100011215356 [0,0,0,0,0,1|3,0,0]=4 239 B12R1.260 CC(=O)OC(C)Sc1cccs1 62a_100011215356_100009818208 [0,0,0,0,0,1|3,0,0]=4 240 B12R1.260 CN(CC(=O)N)Cc1cccs1 2230a_100000184426_100000747473 [0,0,0,0,0,1|3,0,0]=4 241 B12R1.260 CN(CC(=O)N)Cc1cccs1 269982a_100000184426_100000187820 [0,0,0,0,0,1|3,0,0]=4 242 B12R1.260 CN(CC(=O)N)Cc1cccs1 270004a_100000739694_100000209959 [0,0,0,0,0,1|3,0,0]=4 243 B12R1.260 CN(CC(=O)O)Cc1cncs1 269956a_100000746989_100015185245 [0,0,0,0,0,1|3,0,0]=4 244 B12R1.260 CN(CC(=O)O)Cc1nccs1 269956a_100000746989_100015184050 [0,0,0,0,0,1|3,0,0]=4 245 B12R1.260 CN(CC(=O)[O-])Cc1cccs1 269982a_100000184426_100020667443 [0,0,0,0,0,1|2,0,1]=4 246 B12R1.260 NC(=O)CC(=O)Cc1cccs1 1458a_100000210189_100000187820 [0,0,0,0,0,1|2,0,1]=4 247 B12R1.260 O=C([O-])CC(=O)Cc1cccs1 1458a_100000210189_100020667443 [0,0,0,0,0,1|1,0,2]=4 248 B12R1.264 C=C(C)C(C)NCc1cccs1 269862a_100000211653_100011216138 [0,0,0,0,0,1|3,0,0]=4 249 B12R1.264 CC(=O)C(=O)CSc1cccs1 62a_100011215356_100011261029 [0,0,0,0,0,1|2,0,1]=4 250 B12R1.264 CC(=O)C(=O)CSc1cccs1 62a_100011261029_100011215356 [0,0,0,0,0,1|2,0,1]=4 251 B12R1.264 CC(=O)C(C)NCc1ccco1 2230a_100000185738_100009814033 [0,0,0,0,0,1|2,1,0]=4 252 B12R1.264 CC(=O)C(C)NCc1cccs1 2230a_100000211653_100009814033 [0,0,0,0,0,1|2,0,0]=3 253 B12R1.264 CC(=O)C(C)NCc1cncs1 2230a_100016987365_100009814033 [0,0,0,0,0,1|3,0,0]=4 254 B12R1.264 CC(=O)C(C)NCc1nccs1 2230a_100000740555_100009814033 [0,0,0,0,0,1|3,0,0]=4 255 B12R1.264 CC(=O)C(C)OCc1cncs1 34a_100000212229_100015185245 [0,0,0,0,0,1|3,0,0]=4 256 B12R1.264 CC(=O)C(C)OCc1nccs1 34a_100000212229_100015184050 [0,0,0,0,0,1|3,0,0]=4 257 B12R1.264 CC(=O)C(C)SCc1cncs1 62a_100009814033_100015185245 [0,0,0,0,0,1|3,0,0]=4 258 B12R1.264 CC(=O)C(C)SCc1cncs1 62a_100015185245_100009814033 [0,0,0,0,0,1|3,0,0]=4 259 B12R1.264 CC(=O)C(C)SCc1nccs1 62a_100009814033_100015184050 [0,0,0,0,0,1|3,0,0]=4 260 B12R1.264 CC(=O)C(C)SCc1nccs1 62a_100015184050_100009814033 [0,0,0,0,0,1|3,0,0]=4 261 B12R1.264 CC(NCc1ccco1)C(=O)N 2230a_100000185738_100000702099 [0,0,0,0,0,1|2,1,0]=4 262 B12R1.264 CC(NCc1ccco1)C(=O)N 34a_100000185738_100000702099 [0,0,0,0,0,1|2,1,0]=4 263 B12R1.264 CC(NCc1cccs1)C(=O)N 2230a_100000211653_100000702099 [0,0,0,0,0,1|2,0,0]=3 264 B12R1.264 CC(NCc1cncs1)C(=O)N 2230a_100016987365_100000702099 [0,0,0,0,0,1|3,0,0]=4 265 B12R1.264 CC(NCc1nccs1)C(=O)N 2230a_100000740555_100000702099 [0,0,0,0,0,1|3,0,0]=4 266 B12R1.264 CC(OCc1ccco1)C(=O)N 34a_100000210059_100000702099 [0,0,0,0,0,1|2,1,0]=4 267 B12R1.264 CC(OCc1cccs1)C(=O)N 34a_100000211240_100000702099 [0,0,0,0,0,1|2,0,0]=3 268 B12R1.264 CC(SCc1cncs1)C(=O)N 62a_100000702099_100015185245 [0,0,0,0,0,1|3,0,0]=4 269 B12R1.264 CC(SCc1cncs1)C(=O)N 62a_100015185245_100000702099 [0,0,0,0,0,1|3,0,0]=4 270 B12R1.264 CC(SCc1nccs1)C(=O)N 62a_100000702099_100015184050 [0,0,0,0,0,1|3,0,0]=4 271 B12R1.264 CC(SCc1nccs1)C(=O)N 62a_100015184050_100000702099 [0,0,0,0,0,1|3,0,0]=4 272 B12R1.264 C[C@@H](NCc1ccco1)C(=O)N 270004a_100000119354_100000186105 [0,0,0,0,0,1|2,1,0]=4 273 B12R1.264 C[C@@H](NCc1cccs1)C(=O)N 270004a_100000119354_100000209959 [0,0,0,0,0,1|2,0,0]=3 274 B12R1.264 C[C@@H](NCc1cncs1)C(=O)N 2230a_100000119354_100015185245 [0,0,0,0,0,1|3,0,0]=4 275 B12R1.264 C[C@@H](NCc1cncs1)C(=O)N 270004a_100000119354_100000749870 [0,0,0,0,0,1|3,0,0]=4 276 B12R1.264 C[C@@H](NCc1cncs1)C(=O)N 34a_100000119354_100015185245 [0,0,0,0,0,1|3,0,0]=4 277 B12R1.264 C[C@@H](NCc1nccs1)C(=O)N 2230a_100000119354_100015184050 [0,0,0,0,0,1|3,0,0]=4 278 B12R1.264 C[C@@H](NCc1nccs1)C(=O)N 270004a_100000119354_100000750902 [0,0,0,0,0,1|3,0,0]=4 279 B12R1.264 C[C@@H](NCc1nccs1)C(=O)N 34a_100000119354_100015184050 [0,0,0,0,0,1|3,0,0]=4 280 B12R1.264 C[C@@H](OCc1cncs1)C(=O)N 34a_100000731257_100015185245 [0,0,0,0,0,1|3,0,0]=4 281 B12R1.264 C[C@@H](OCc1cncs1)C(=O)N 7a_100000731257_100015185245 [0,0,0,0,0,1|3,0,0]=4 282 B12R1.264 C[C@@H](OCc1nccs1)C(=O)N 34a_100000731257_100015184050 [0,0,0,0,0,1|3,0,0]=4 283 B12R1.264 C[C@@H](OCc1nccs1)C(=O)N 7a_100000731257_100015184050 [0,0,0,0,0,1|3,0,0]=4 284 B12R1.264 C[C@H](NCc1c[nH]cn1)C(=O)O 269956a_100000743915_100000707719 [0,0,0,0,0,1|3,0,0]=4 285 B12R1.264 C[C@H](NCc1ccn[nH]1)C(=O)O 269956a_100000743915_100000728653 [0,0,0,0,0,1|3,0,0]=4 286 B12R1.264 C[C@H](NCc1ccon1)C(=O)O 269956a_100000743915_100000234950 [0,0,0,0,0,1|3,0,0]=4 287 B12R1.264 C[C@H](NCc1ccsc1)C(=O)O 269956a_100000743915_100011261437 [0,0,0,0,0,1|3,0,0]=4 288 B12R1.264 C[C@H](NCc1cncs1)C(=O)O 269956a_100000743915_100015185245 [0,0,0,0,0,1|2,0,0]=3 289 B12R1.264 C[C@H](NCc1cscn1)C(=O)O 269956a_100000743915_100000205941 [0,0,0,0,0,1|3,0,0]=4 290 B12R1.264 C[C@H](NCc1ncc[nH]1)C(=O)O 269956a_100000743915_100000753453 [0,0,0,0,0,1|3,0,0]=4 291 B12R1.264 C[C@H](NCc1ncco1)C(=O)O 269956a_100000743915_103436540062 [0,0,0,0,0,1|2,1,0]=4 292 B12R1.264 C[C@H](NCc1nccs1)C(=O)O 269956a_100000743915_100015184050 [0,0,0,0,0,1|2,0,0]=3 293 B12R1.264 C[C@H](OCc1cncs1)C(=O)[O-] 7a_217856618621_100015185245 [0,0,0,0,0,1|2,0,1]=4 294 B12R1.264 C[C@H](OCc1nccs1)C(=O)[O-] 7a_217856618621_100015184050 [0,0,0,0,0,1|2,0,1]=4 295 B12R1.264 NC(=O)C(=O)NCc1cccs1 240690a_100000211653_100011215815 [0,0,0,0,0,1|2,0,1]=4 296 B12R1.264 NC(=O)C(F)NCc1ccco1 2230a_100000185738_100009813875 [0,0,0,0,0,1|2,1,0]=4 297 B12R1.264 NC(=O)C(F)NCc1ccco1 34a_100000185738_100009813875 [0,0,0,0,0,1|2,1,0]=4 298 B12R1.264 NC(=O)C(F)NCc1cccs1 2230a_100000211653_100009813875 [0,0,0,0,0,1|2,0,0]=3 299 B12R1.264 NC(=O)C(F)NCc1cncs1 2230a_100016987365_100009813875 [0,0,0,0,0,1|3,0,0]=4 300 B12R1.264 NC(=O)C(F)NCc1nccs1 2230a_100000740555_100009813875 [0,0,0,0,0,1|3,0,0]=4 301 B12R1.264 NC(=O)C(F)OCc1ccco1 34a_100000210059_100009813875 [0,0,0,0,0,1|2,1,0]=4 302 B12R1.264 NC(=O)C(F)OCc1cccs1 34a_100000211240_100009813875 [0,0,0,0,0,1|2,0,0]=3 303 B12R1.264 NC(=O)C(F)SCc1cncs1 62a_100009813875_100015185245 [0,0,0,0,0,1|3,0,0]=4 304 B12R1.264 NC(=O)C(F)SCc1cncs1 62a_100015185245_100009813875 [0,0,0,0,0,1|3,0,0]=4 305 B12R1.264 NC(=O)C(F)SCc1nccs1 62a_100009813875_100015184050 [0,0,0,0,0,1|3,0,0]=4 306 B12R1.264 NC(=O)C(F)SCc1nccs1 62a_100015184050_100009813875 [0,0,0,0,0,1|3,0,0]=4 307 B12R1.264 O=C([O-])C(F)NCc1ccco1 34a_100000185738_100020610796 [0,0,0,0,0,1|1,1,1]=4 308 B12R1.264 O=C([O-])C(F)OCc1ccco1 34a_100000210059_100020610796 [0,0,0,0,0,1|1,1,1]=4 309 B12R1.264 O=C([O-])C(F)OCc1cccs1 34a_100000211240_100020610796 [0,0,0,0,0,1|1,0,1]=3 310 B12R1.264 O=C([O-])C(F)SCc1cncs1 62a_100015185245_100020610796 [0,0,0,0,0,1|2,0,1]=4 311 B12R1.264 O=C([O-])C(F)SCc1cncs1 62a_100020610796_100015185245 [0,0,0,0,0,1|2,0,1]=4 312 B12R1.264 O=C([O-])C(F)SCc1nccs1 62a_100015184050_100020610796 [0,0,0,0,0,1|2,0,1]=4 313 B12R1.264 O=C([O-])C(F)SCc1nccs1 62a_100020610796_100015184050 [0,0,0,0,0,1|2,0,1]=4 314 B9R1.12 C=CCSc1cccs1 62a_100000210623_100011215356 [2,0,0,0,0,0|2,0,0]=4 315 B9R1.12 C=CCSc1cccs1 62a_100011215356_100000210623 [2,0,0,0,0,0|2,0,0]=4 316 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [2,0,0,0,0,0|1,0,1]=4 317 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [2,0,0,0,0,0|2,0,0]=4 318 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [2,0,0,0,0,0|2,0,0]=4 319 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [2,0,0,0,0,0|2,0,0]=4 320 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [2,0,0,0,0,0|2,0,0]=4 321 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [2,0,0,0,0,0|2,0,0]=4 322 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [2,0,0,0,0,0|2,0,0]=4 323 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [2,0,0,0,0,0|2,0,0]=4 324 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [2,0,0,0,0,0|2,0,0]=4 325 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [2,0,0,0,0,0|2,0,0]=4 326 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [2,0,0,0,0,0|2,0,0]=4 327 B9R1.12 O=CCSc1ccco1 62a_100009814098_200015260668 [2,0,0,0,0,0|1,1,0]=4 328 B9R1.12 O=CCSc1ccco1 62a_200015260668_100009814098 [2,0,0,0,0,0|1,1,0]=4 329 B9R1.12 O=CCSc1cccs1 62a_100011215356_200015260668 [2,0,0,0,0,0|1,0,0]=3 330 B9R1.12 O=CCSc1cccs1 62a_200015260668_100011215356 [2,0,0,0,0,0|1,0,0]=3 331 B9R1.12 O=CCSc1cncs1 62a_100011934649_200015260668 [2,0,0,0,0,0|2,0,0]=4 332 B9R1.12 O=CCSc1cncs1 62a_200015260668_100011934649 [2,0,0,0,0,0|2,0,0]=4 333 B9R1.12 O=CCSc1nccs1 62a_100000211983_200015260668 [2,0,0,0,0,0|2,0,0]=4 334 B9R1.12 O=CCSc1nccs1 62a_200015260668_100000211983 [2,0,0,0,0,0|2,0,0]=4 335 B9R1.12 OCCSc1cccs1 62a_100000211926_100011215356 [2,0,0,0,0,0|1,0,1]=4 336 B9R1.12 OCCSc1cccs1 62a_100011215356_100000211926 [2,0,0,0,0,0|1,0,1]=4 337 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [2,0,0,0,0,0|2,0,0]=4 338 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [2,0,0,0,0,0|2,0,0]=4 339 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [2,0,0,0,0,0|2,0,0]=4 340 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [2,0,0,0,0,0|2,0,0]=4 341 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [2,0,0,0,0,0|2,0,0]=4 342 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [2,0,0,0,0,0|2,0,0]=4 343 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [2,0,0,0,0,0|1,0,1]=4 344 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [2,0,0,0,0,0|1,0,1]=4 345 B11R1.30 CN(CC=O)Cc1cccs1 2230a_100000184426_200015260668 [1,1,0,0,0,0|2,0,0]=4 346 B11R1.30 CN(CC=O)Cc1cccs1 269982a_100000184426_200015260668 [1,1,0,0,0,0|2,0,0]=4 347 B11R1.84 O=CC(C=O)Sc1cccs1 62a_100000736813_100011215356 [1,1,0,0,0,0|2,0,0]=4 348 B11R1.84 O=CC(C=O)Sc1cccs1 62a_100011215356_100000736813 [1,1,0,0,0,0|2,0,0]=4 349 B11R1.25 C#CC(=O)CCc1cccs1 1458a_100000211873_100000748579 [1,1,0,0,0,0|1,0,0]=3 350 B11R1.25 C=CC(=O)CCc1cccs1 1458a_100000185746_100000748579 [1,1,0,0,0,0|1,0,0]=3 351 B11R1.25 C=CC(=O)NCc1cccs1 1626a_100000211653_100000185746 [1,1,0,0,0,0|2,0,0]=4 352 B11R1.25 C=CC(=O)NCc1cccs1 240690a_100000211653_200121576911 [1,1,0,0,0,0|2,0,0]=4 353 B11R1.25 CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210202 [1,1,0,0,0,0|2,0,0]=4 354 B11R1.25 CCC(=O)CCc1ccco1 1458a_100000185103_100000210202 [1,1,0,0,0,0|1,1,0]=4 355 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000185280_100000210202 [1,1,0,0,0,0|1,0,0]=3 356 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000210414_100000748579 [1,1,0,0,0,0|1,0,0]=3 357 B11R1.25 CCC(=O)CCc1cncs1 1458a_100012184922_100000210202 [1,1,0,0,0,0|2,0,0]=4 358 B11R1.25 CCC(=O)CCc1nccs1 1458a_100000742873_100000210202 [1,1,0,0,0,0|2,0,0]=4 359 B11R1.25 CCC(=O)CSc1cccs1 62a_100000747405_100011215356 [1,1,0,0,0,0|2,0,0]=4 360 B11R1.25 CCC(=O)CSc1cccs1 62a_100011215356_100000747405 [1,1,0,0,0,0|2,0,0]=4 361 B11R1.25 CCC(=O)NCc1cccs1 11a_100000211653_100000210414 [1,1,0,0,0,0|2,0,0]=4 362 B11R1.25 CCC(=O)NCc1cccs1 1626a_100000211653_100000210414 [1,1,0,0,0,0|2,0,0]=4 363 B11R1.25 CCC(=O)NCc1cccs1 240690a_100000211653_100000210414 [1,1,0,0,0,0|2,0,0]=4 364 B11R1.25 CCC(=O)NCc1cccs1 527a_100000211653_100000210414 [1,1,0,0,0,0|2,0,0]=4 365 B11R1.25 CNC(=O)CCc1ccc[nH]1 11a_106832991635_200011998680 [1,1,0,0,0,0|2,0,0]=4 366 B11R1.25 CNC(=O)CCc1ccc[nH]1 240690a_100102657272_200011998680 [1,1,0,0,0,0|2,0,0]=4 367 B11R1.25 CNC(=O)CCc1ccc[nH]1 527a_100102657272_200011998680 [1,1,0,0,0,0|2,0,0]=4 368 B11R1.25 CNC(=O)CCc1ccco1 11a_106832991635_100000185103 [1,1,0,0,0,0|1,1,0]=4 369 B11R1.25 CNC(=O)CCc1ccco1 1626a_100102657272_100000185103 [1,1,0,0,0,0|1,1,0]=4 370 B11R1.25 CNC(=O)CCc1ccco1 527a_100102657272_100000185103 [1,1,0,0,0,0|1,1,0]=4 371 B11R1.25 CNC(=O)CCc1cccs1 11a_106832991635_100000185280 [1,1,0,0,0,0|1,0,0]=3 372 B11R1.25 CNC(=O)CCc1cccs1 1626a_100102657272_100000185280 [1,1,0,0,0,0|1,0,0]=3 373 B11R1.25 CNC(=O)CCc1cccs1 240690a_100102657272_100000185280 [1,1,0,0,0,0|1,0,0]=3 374 B11R1.25 CNC(=O)CCc1cccs1 527a_100102657272_100000185280 [1,1,0,0,0,0|1,0,0]=3 375 B11R1.25 CNC(=O)CCc1cncs1 11a_106832991635_100012184922 [1,1,0,0,0,0|2,0,0]=4 376 B11R1.25 CNC(=O)CCc1cncs1 1626a_100102657272_100012184922 [1,1,0,0,0,0|2,0,0]=4 377 B11R1.25 CNC(=O)CCc1cncs1 240690a_100102657272_100012184922 [1,1,0,0,0,0|2,0,0]=4 378 B11R1.25 CNC(=O)CCc1cncs1 527a_100102657272_100012184922 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.25 CNC(=O)CCc1nccs1 11a_106832991635_100000742873 [1,1,0,0,0,0|2,0,0]=4 380 B11R1.25 CNC(=O)CCc1nccs1 1626a_100102657272_100000742873 [1,1,0,0,0,0|2,0,0]=4 381 B11R1.25 CNC(=O)CCc1nccs1 240690a_100102657272_100000742873 [1,1,0,0,0,0|2,0,0]=4 382 B11R1.25 CNC(=O)CCc1nccs1 527a_100102657272_100000742873 [1,1,0,0,0,0|2,0,0]=4 383 B11R1.25 CNC(=O)CSc1cccs1 62a_100000183359_100011215356 [1,1,0,0,0,0|2,0,0]=4 384 B11R1.25 CNC(=O)CSc1cccs1 62a_100011215356_100000183359 [1,1,0,0,0,0|2,0,0]=4 385 B11R1.25 CNC(=O)NCc1cccs1 2708a_100000211653_106832991635 [1,1,0,0,0,0|2,0,0]=4 386 B11R1.25 CNC(=O)NCc1cccs1 2708a_100102657272_100000211653 [1,1,0,0,0,0|2,0,0]=4 387 B11R1.25 CNC(=O)NCc1cccs1 273464a_100000211653_100102657272 [1,1,0,0,0,0|2,0,0]=4 388 B11R1.25 CNC(=O)NCc1cccs1 273464a_100102657272_100000211653 [1,1,0,0,0,0|2,0,0]=4 389 B11R1.25 CNC(=O)NCc1cccs1 512a_100000211653_100102657272 [1,1,0,0,0,0|2,0,0]=4 390 B11R1.25 CNC(=O)NCc1cccs1 512a_106832991638_100000211653 [1,1,0,0,0,0|2,0,0]=4 391 B11R1.25 COC(=O)CSc1ccco1 62a_100000747449_100009814098 [1,1,0,0,0,0|1,1,0]=4 392 B11R1.25 COC(=O)CSc1ccco1 62a_100009814098_100000747449 [1,1,0,0,0,0|1,1,0]=4 393 B11R1.25 COC(=O)CSc1cccs1 62a_100000747449_100011215356 [1,1,0,0,0,0|1,0,0]=3 394 B11R1.25 COC(=O)CSc1cccs1 62a_100011215356_100000747449 [1,1,0,0,0,0|1,0,0]=3 395 B11R1.25 COC(=O)CSc1cncs1 62a_100000747449_100011934649 [1,1,0,0,0,0|2,0,0]=4 396 B11R1.25 COC(=O)CSc1cncs1 62a_100011934649_100000747449 [1,1,0,0,0,0|2,0,0]=4 397 B11R1.25 COC(=O)CSc1nccs1 62a_100000211983_100000747449 [1,1,0,0,0,0|2,0,0]=4 398 B11R1.25 COC(=O)CSc1nccs1 62a_100000747449_100000211983 [1,1,0,0,0,0|2,0,0]=4 399 B11R1.25 O=C(CF)CCc1ccc[nH]1 1458a_200011998680_100015361967 [1,1,0,0,0,0|2,0,0]=4 400 B11R1.25 O=C(CF)CCc1ccco1 1458a_100000185103_100015361967 [1,1,0,0,0,0|1,1,0]=4 401 B11R1.25 O=C(CF)CCc1cccs1 1458a_100000185280_100015361967 [1,1,0,0,0,0|1,0,0]=3 402 B11R1.25 O=C(CF)CCc1cncs1 1458a_100012184922_100015361967 [1,1,0,0,0,0|2,0,0]=4 403 B11R1.25 O=C(CF)CCc1nccs1 1458a_100000742873_100015361967 [1,1,0,0,0,0|2,0,0]=4 404 B11R1.25 O=C(CO)CCc1c[nH]cn1 1458a_100000210174_100020628418 [1,1,0,0,0,0|2,0,0]=4 405 B11R1.25 O=C(CO)CCc1cccs1 1458a_100000210174_100000748579 [1,1,0,0,0,0|0,0,0]=2 406 B11R1.25 O=C(CO)CCn1cccc1 1458a_100000210174_200000035178 [1,1,0,0,0,0|2,0,0]=4 407 B11R1.25 O=C(CO)CCn1cccn1 1458a_100000210174_100000685285 [1,1,0,0,0,0|2,0,0]=4 408 B11R1.25 O=C(CO)NCc1ccc[nH]1 240690a_100000764082_100000210174 [1,1,0,0,0,0|2,0,0]=4 409 B11R1.25 O=C(CO)NCc1ccc[nH]1 527a_100000764082_100000210174 [1,1,0,0,0,0|2,0,0]=4 410 B11R1.25 O=C(CO)NCc1ccco1 240690a_100000185738_100000210174 [1,1,0,0,0,0|1,1,0]=4 411 B11R1.25 O=C(CO)NCc1ccco1 527a_100000185738_100000210174 [1,1,0,0,0,0|1,1,0]=4 412 B11R1.25 O=C(CO)NCc1cccs1 240690a_100000211653_100000210174 [1,1,0,0,0,0|1,0,0]=3 413 B11R1.25 O=C(CO)NCc1cccs1 527a_100000211653_100000210174 [1,1,0,0,0,0|1,0,0]=3 414 B11R1.25 O=C(CO)NCc1cncs1 240690a_100016987365_100000210174 [1,1,0,0,0,0|2,0,0]=4 415 B11R1.25 O=C(CO)NCc1cncs1 527a_100016987365_100000210174 [1,1,0,0,0,0|2,0,0]=4 416 B11R1.25 O=C(CO)NCc1nccs1 240690a_100000740555_100000210174 [1,1,0,0,0,0|2,0,0]=4 417 B11R1.25 O=C(CO)NCc1nccs1 527a_100000740555_100000210174 [1,1,0,0,0,0|2,0,0]=4 418 B11R1.75 CC(=O)NCc1cc(cs1)Br 11a_100000741024_100015343762 [1,1,0,0,0,0|2,0,0]=4 419 B11R1.75 CC(=O)NCc1cc(cs1)Br 1626a_100000741024_100015343762 [1,1,0,0,0,0|2,0,0]=4 420 B11R1.75 CC(=O)NCc1cc(cs1)Br 240690a_100000741024_100015343762 [1,1,0,0,0,0|2,0,0]=4 421 B11R1.75 CC(=O)NCc1cc(cs1)Br 527a_100000741024_100103153847 [1,1,0,0,0,0|2,0,0]=4 422 B11R1.75 CC(=O)NCc1cc(cs1)C 11a_100015204214_100015343762 [1,1,0,0,0,0|2,0,0]=4 423 B11R1.75 CC(=O)NCc1cc(cs1)C 1626a_100015204214_100015343762 [1,1,0,0,0,0|2,0,0]=4 424 B11R1.75 CC(=O)NCc1cc(cs1)C 240690a_100015204214_100015343762 [1,1,0,0,0,0|2,0,0]=4 425 B11R1.75 CC(=O)NCc1cc(cs1)C 527a_100015204214_100103153847 [1,1,0,0,0,0|2,0,0]=4 426 B11R1.75 CC(=O)NCc1ccc(s1)Br 11a_100000737305_100015343762 [1,1,0,0,0,0|2,0,0]=4 427 B11R1.75 CC(=O)NCc1ccc(s1)Br 1626a_100000737305_100015343762 [1,1,0,0,0,0|2,0,0]=4 428 B11R1.75 CC(=O)NCc1ccc(s1)Br 240690a_100000737305_100015343762 [1,1,0,0,0,0|2,0,0]=4 429 B11R1.75 CC(=O)NCc1ccc(s1)Br 527a_100000737305_100103153847 [1,1,0,0,0,0|2,0,0]=4 430 B11R1.75 CC(=O)NCc1ccc(s1)C 11a_100000238518_100015343762 [1,1,0,0,0,0|2,0,0]=4 431 B11R1.75 CC(=O)NCc1ccc(s1)C 1626a_100000238518_100015343762 [1,1,0,0,0,0|2,0,0]=4 432 B11R1.75 CC(=O)NCc1ccc(s1)C 240690a_100000238518_100015343762 [1,1,0,0,0,0|2,0,0]=4 433 B11R1.75 CC(=O)NCc1ccc(s1)C 527a_100000238518_100103153847 [1,1,0,0,0,0|2,0,0]=4 434 B11R1.75 CC(=O)NCc1ccc(s1)Cl 11a_100000737310_100015343762 [1,1,0,0,0,0|2,0,0]=4 435 B11R1.75 CC(=O)NCc1ccc(s1)Cl 1626a_100000737310_100015343762 [1,1,0,0,0,0|2,0,0]=4 436 B11R1.75 CC(=O)NCc1ccc(s1)Cl 240690a_100000737310_100015343762 [1,1,0,0,0,0|2,0,0]=4 437 B11R1.75 CC(=O)NCc1ccc(s1)Cl 527a_100000737310_100103153847 [1,1,0,0,0,0|2,0,0]=4 438 B11R1.75 Cc1ccc(s1)SCC(=O)N 62a_100000031368_100000747473 [1,1,0,0,0,0|2,0,0]=4 439 B11R1.75 Cc1ccc(s1)SCC(=O)N 62a_100000747473_100000031368 [1,1,0,0,0,0|2,0,0]=4 440 B11R1.75 Cc1ccc(s1)SCC(=O)[O-] 62a_100000031368_100020667443 [1,1,0,0,0,0|1,0,1]=4 441 B11R1.75 Cc1ccc(s1)SCC(=O)[O-] 62a_100020667443_100000031368 [1,1,0,0,0,0|1,0,1]=4 442 B11R1.75 Cc1csc(c1)SCC(=O)N 62a_100000747473_100009876951 [1,1,0,0,0,0|2,0,0]=4 443 B11R1.75 Cc1csc(c1)SCC(=O)N 62a_100009876951_100000747473 [1,1,0,0,0,0|2,0,0]=4 444 B11R1.75 Cc1csc(c1)SCC(=O)[O-] 62a_100009876951_100020667443 [1,1,0,0,0,0|1,0,1]=4 445 B11R1.75 Cc1csc(c1)SCC(=O)[O-] 62a_100020667443_100009876951 [1,1,0,0,0,0|1,0,1]=4 446 B11R1.75 NC(=O)CSc1ccc(s1)Br 62a_100000747473_100010197418 [1,1,0,0,0,0|2,0,0]=4 447 B11R1.75 NC(=O)CSc1ccc(s1)Br 62a_100010197418_100000747473 [1,1,0,0,0,0|2,0,0]=4 448 B11R1.75 O=C([O-])CSc1ccc(s1)Br 62a_100010197418_100020667443 [1,1,0,0,0,0|1,0,1]=4 449 B11R1.75 O=C([O-])CSc1ccc(s1)Br 62a_100020667443_100010197418 [1,1,0,0,0,0|1,0,1]=4 450 B11R1.77 CC(=O)CC(=O)c1cccs1 1458a_100000070787_100000211436 [1,1,0,0,0,0|1,0,1]=4 451 B11R1.77 CC(=O)NC(C)c1cccs1 11a_100000703493_100015343762 [1,1,0,0,0,0|2,0,0]=4 452 B11R1.77 CC(=O)NC(C)c1cccs1 1626a_100000703493_100015343762 [1,1,0,0,0,0|2,0,0]=4 453 B11R1.77 CC(=O)NC(C)c1cccs1 240690a_100000703493_100015343762 [1,1,0,0,0,0|2,0,0]=4 454 B11R1.77 CC(=O)NC(C)c1cccs1 527a_100000703493_100103153847 [1,1,0,0,0,0|2,0,0]=4 455 B11R1.90 CC(=O)CCc1scnc1C 1458a_100000070787_100000057103 [1,1,0,0,0,0|2,0,0]=4 456 B11R1.90 CC(=O)CCc1scnc1C 1458a_100011934404_200000210301 [1,1,0,0,0,0|2,0,0]=4 457 B11R1.90 CC(=O)NCc1sccc1C 11a_100000238519_100015343762 [1,1,0,0,0,0|2,0,0]=4 458 B11R1.90 CC(=O)NCc1sccc1C 1626a_100000238519_100015343762 [1,1,0,0,0,0|2,0,0]=4 459 B11R1.90 CC(=O)NCc1sccc1C 240690a_100000238519_100015343762 [1,1,0,0,0,0|2,0,0]=4 460 B11R1.90 CC(=O)NCc1sccc1C 527a_100000238519_100103153847 [1,1,0,0,0,0|2,0,0]=4 461 B11R1.90 CC(=O)NCc1sccc1Cl 11a_100011934584_100015343762 [1,1,0,0,0,0|2,0,0]=4 462 B11R1.90 CC(=O)NCc1sccc1Cl 1626a_100011934584_100015343762 [1,1,0,0,0,0|2,0,0]=4 463 B11R1.90 CC(=O)NCc1sccc1Cl 240690a_100011934584_100015343762 [1,1,0,0,0,0|2,0,0]=4 464 B11R1.90 CC(=O)NCc1sccc1Cl 527a_100011934584_100103153847 [1,1,0,0,0,0|2,0,0]=4 465 B11R1.90 Cc1ccsc1SCC(=O)N 62a_100000747473_100010247149 [1,1,0,0,0,0|2,0,0]=4 466 B11R1.90 Cc1ccsc1SCC(=O)N 62a_100010247149_100000747473 [1,1,0,0,0,0|2,0,0]=4 467 B11R1.90 Cc1ccsc1SCC(=O)[O-] 62a_100010247149_100020667443 [1,1,0,0,0,0|1,0,1]=4 468 B11R1.90 Cc1ccsc1SCC(=O)[O-] 62a_100020667443_100010247149 [1,1,0,0,0,0|1,0,1]=4 469 B11R1.90 Cc1ncsc1CCC(=O)[13CH3] 1458a_100011934404_200025704644 [1,1,0,0,0,0|2,0,0]=4 470 B11R1.90 NC(=O)CSc1sccc1Br 62a_100000747473_100012361411 [1,1,0,0,0,0|2,0,0]=4 471 B11R1.90 NC(=O)CSc1sccc1Br 62a_100012361411_100000747473 [1,1,0,0,0,0|2,0,0]=4 472 B11R1.90 O=C([O-])CSc1sccc1Br 62a_100012361411_100020667443 [1,1,0,0,0,0|1,0,1]=4 473 B11R1.90 O=C([O-])CSc1sccc1Br 62a_100020667443_100012361411 [1,1,0,0,0,0|1,0,1]=4 474 B11R1.173 CC(=O)C(C)(C)c1cccs1 1458a_100000756239_200000210301 [0,1,0,0,1,0|2,0,0]=4 475 B11R1.173 CC(C)(C(=O)[13CH3])c1cccs1 1458a_100000756239_200025704644 [0,1,0,0,1,0|2,0,0]=4 476 B11R1.298 CNC(C(=O)O)c1cccs1 269956a_100000684786_200000210301 [0,1,0,0,1,0|0,0,0]=2 477 B11R1.298 CNC(C(=O)O)c1ccsc1 269956a_100000702404_200000210301 [0,1,0,0,1,0|2,0,0]=4 478 B11R1.298 [13CH3]NC(C(=O)O)c1cccs1 269956a_100000684786_200025704644 [0,1,0,0,1,0|0,0,0]=2 479 B11R1.298 [13CH3]NC(C(=O)O)c1ccsc1 269956a_100000702404_200025704644 [0,1,0,0,1,0|2,0,0]=4 480 B13R1.135 CC(Cc1ccccc1)C(=O)CO 1458a_100000210174_200011218536 [0,1,0,0,0,1|2,0,0]=4 481 B13R1.418 CNC(Cc1ccccc1)C(=O)N 2230a_100000745710_200000210301 [0,1,0,0,0,1|2,0,0]=4 482 B13R1.418 CNC(Cc1ccccc1)C(=O)N 34a_100000745710_200000210301 [0,1,0,0,0,1|2,0,0]=4 483 B13R1.418 [13CH3]NC(Cc1ccccc1)C(=O)N 2230a_100000745710_200025704644 [0,1,0,0,0,1|2,0,0]=4 484 B13R1.418 [13CH3]NC(Cc1ccccc1)C(=O)N 34a_100000745710_200025704644 [0,1,0,0,0,1|2,0,0]=4 485 B13R1.545 C=CC(=O)NC(C)Cc1cccs1 1626a_100000751415_100000185746 [0,1,0,0,0,1|2,0,0]=4 486 B13R1.545 C=CC(=O)NC(C)Cc1cccs1 240690a_100000751415_200121576911 [0,1,0,0,0,1|2,0,0]=4 487 B13R1.545 CC(Cc1cccs1)NC(=O)CO 240690a_100000751415_100000210174 [0,1,0,0,0,1|1,0,0]=3 488 B13R1.545 CC(Cc1cccs1)NC(=O)CO 527a_100000751415_100000210174 [0,1,0,0,0,1|1,0,0]=3 489 B13R1.545 CCC(=O)NC(C)Cc1cccs1 11a_100000751415_100000210414 [0,1,0,0,0,1|2,0,0]=4 490 B13R1.545 CCC(=O)NC(C)Cc1cccs1 1626a_100000751415_100000210414 [0,1,0,0,0,1|2,0,0]=4 491 B13R1.545 CCC(=O)NC(C)Cc1cccs1 240690a_100000751415_100000210414 [0,1,0,0,0,1|2,0,0]=4 492 B13R1.545 CCC(=O)NC(C)Cc1cccs1 527a_100000751415_100000210414 [0,1,0,0,0,1|2,0,0]=4 493 B13R1.545 CNC(=O)NC(C)Cc1cccs1 2708a_100000751415_106832991635 [0,1,0,0,0,1|2,0,0]=4 494 B13R1.545 CNC(=O)NC(C)Cc1cccs1 2708a_100102657272_100000751415 [0,1,0,0,0,1|2,0,0]=4 495 B13R1.545 CNC(=O)NC(C)Cc1cccs1 273464a_100000751415_100102657272 [0,1,0,0,0,1|2,0,0]=4 496 B13R1.545 CNC(=O)NC(C)Cc1cccs1 512a_100000751415_100102657272 [0,1,0,0,0,1|2,0,0]=4 497 B13R1.545 CNC(=O)NC(C)Cc1cccs1 512a_106832991638_100000751415 [0,1,0,0,0,1|2,0,0]=4 498 B13R1.545 COC(=O)CC(=O)Cc1cccs1 1458a_100000210189_100000747449 [0,1,0,0,0,1|1,0,1]=4 499 B13R1.545 COC(=O)CC(C)Sc1cccs1 62a_100009817358_100011215356 [0,1,0,0,0,1|2,0,0]=4 500 B13R1.545 COC(=O)CC(C)Sc1cccs1 62a_100011215356_100009817358 [0,1,0,0,0,1|2,0,0]=4 501 B13R1.545 COC(=O)CN(C)Cc1cccs1 2230a_100000184426_100000747449 [0,1,0,0,0,1|2,0,0]=4 502 B13R1.545 COC(=O)CN(C)Cc1cccs1 269982a_100000184426_100000747449 [0,1,0,0,0,1|2,0,0]=4 503 B13R1.545 COC(=O)CN(C)Cc1cccs1 270004a_100000198492_100000209959 [0,1,0,0,0,1|2,0,0]=4 504 B13R1.3424 CN(CC(=O)O)Cc1cc(cs1)Br 269956a_100000746989_100000746031 [0,1,0,0,0,1|2,0,0]=4 505 B13R1.3424 CN(CC(=O)O)Cc1ccc(s1)Br 269956a_100000746989_100000708592 [0,1,0,0,0,1|2,0,0]=4 506 B13R1.3424 CN(CC(=O)O)Cc1ccc(s1)Cl 269956a_100000746989_100000185097 [0,1,0,0,0,1|2,0,0]=4 507 B13R1.169 CC(=O)C(C)NCc1sccc1C 2230a_100000238519_100009814033 [0,1,0,0,0,1|2,0,0]=4 508 B13R1.169 CC(=O)C(C)NCc1sccc1Cl 2230a_100011934584_100009814033 [0,1,0,0,0,1|2,0,0]=4 509 B13R1.169 CC(=O)C(C)OCc1sccc1C 7a_100000238368_100000179758 [0,1,0,0,0,1|2,0,0]=4 510 B13R1.169 CC(=O)C(C)OCc1sccc1Cl 7a_100000722387_100000179758 [0,1,0,0,0,1|2,0,0]=4 511 B13R1.169 CC(NCc1sccc1Cl)C(=O)N 2230a_100011934584_100000702099 [0,1,0,0,0,1|2,0,0]=4 512 B13R1.169 CC(NCc1sccc1Cl)C(=O)N 34a_100011934584_100000702099 [0,1,0,0,0,1|2,0,0]=4 513 B13R1.169 CC(OCc1sccc1Br)C(=O)N 34a_100000702026_100000702099 [0,1,0,0,0,1|2,0,0]=4 514 B13R1.169 CC(OCc1sccc1Cl)C(=O)N 34a_100000722387_100000702099 [0,1,0,0,0,1|2,0,0]=4 515 B13R1.169 CC(OCc1sccc1Cl)C(=O)N 7a_100000722387_100000702099 [0,1,0,0,0,1|2,0,0]=4 516 B13R1.169 C[C@@H](NCc1sccc1Br)C(=O)N 270004a_100000119354_100000766043 [0,1,0,0,0,1|2,0,0]=4 517 B13R1.169 C[C@@H](NCc1sccc1Cl)C(=O)N 270004a_100000119354_100000722334 [0,1,0,0,0,1|2,0,0]=4 518 B13R1.169 Cc1ccsc1CNC(C)C(=O)N 2230a_100000238519_100000702099 [0,1,0,0,0,1|2,0,0]=4 519 B13R1.169 Cc1ccsc1CNC(C)C(=O)N 34a_100000238519_100000702099 [0,1,0,0,0,1|2,0,0]=4 520 B13R1.169 Cc1ccsc1CNC(F)C(=O)N 2230a_100000238519_100009813875 [0,1,0,0,0,1|2,0,0]=4 521 B13R1.169 Cc1ccsc1CNC(F)C(=O)N 34a_100000238519_100009813875 [0,1,0,0,0,1|2,0,0]=4 522 B13R1.169 Cc1ccsc1CNC(F)C(=O)[O-] 34a_100000238519_100020610796 [0,1,0,0,0,1|1,0,1]=4 523 B13R1.169 Cc1ccsc1CN[C@H](C)C(=O)N 270004a_100000119354_100000210881 [0,1,0,0,0,1|2,0,0]=4 524 B13R1.169 Cc1ccsc1COC(C)C(=O)N 34a_100000238368_100000702099 [0,1,0,0,0,1|2,0,0]=4 525 B13R1.169 Cc1ccsc1COC(C)C(=O)N 7a_100000238368_100000702099 [0,1,0,0,0,1|2,0,0]=4 526 B13R1.169 Cc1ccsc1COC(F)C(=O)N 34a_100000238368_100009813875 [0,1,0,0,0,1|2,0,0]=4 527 B13R1.169 Cc1ccsc1COC(F)C(=O)N 7a_100000238368_100009813875 [0,1,0,0,0,1|2,0,0]=4 528 B13R1.169 Cc1ccsc1COC(F)C(=O)[O-] 34a_100000238368_100020610796 [0,1,0,0,0,1|1,0,1]=4 529 B13R1.169 NC(=O)C(F)NCc1sccc1Cl 2230a_100011934584_100009813875 [0,1,0,0,0,1|2,0,0]=4 530 B13R1.169 NC(=O)C(F)NCc1sccc1Cl 34a_100011934584_100009813875 [0,1,0,0,0,1|2,0,0]=4 531 B13R1.169 NC(=O)C(F)OCc1sccc1Br 34a_100000702026_100009813875 [0,1,0,0,0,1|2,0,0]=4 532 B13R1.169 NC(=O)C(F)OCc1sccc1Cl 34a_100000722387_100009813875 [0,1,0,0,0,1|2,0,0]=4 533 B13R1.169 NC(=O)C(F)OCc1sccc1Cl 7a_100000722387_100009813875 [0,1,0,0,0,1|2,0,0]=4 534 B13R1.169 O=C([O-])C(F)NCc1sccc1Cl 34a_100011934584_100020610796 [0,1,0,0,0,1|1,0,1]=4 535 B13R1.169 O=C([O-])C(F)OCc1sccc1Br 34a_100000702026_100020610796 [0,1,0,0,0,1|1,0,1]=4 536 B13R1.169 O=C([O-])C(F)OCc1sccc1Cl 34a_100000722387_100020610796 [0,1,0,0,0,1|1,0,1]=4 537 B13R1.339 CC(=O)C(C)NC(C)c1cccs1 2230a_100000703493_100009814033 [0,1,0,0,0,1|2,0,0]=4 538 B13R1.339 CC(=O)C(C)O[C@H](C)c1cccs1 7a_100000750433_100000179758 [0,1,0,0,0,1|2,0,0]=4 539 B13R1.339 CC(NC(C)c1cccs1)C(=O)N 2230a_100000703493_100000702099 [0,1,0,0,0,1|2,0,0]=4 540 B13R1.339 CC(NC(F)C(=O)N)c1cccs1 2230a_100000703493_100009813875 [0,1,0,0,0,1|2,0,0]=4 541 B13R1.339 CC(O[C@H](C)c1cccs1)C(=O)N 7a_100000750433_100000702099 [0,1,0,0,0,1|2,0,0]=4 542 B13R1.339 C[C@@H](OC(F)C(=O)N)c1cccs1 7a_100000750433_100009813875 [0,1,0,0,0,1|2,0,0]=4 543 B13R1.554 C=C(CSc1cccs1)C(=O)OC 62a_100009813391_100011215356 [0,1,0,0,0,1|1,0,1]=4 544 B13R1.554 C=C(CSc1cccs1)C(=O)OC 62a_100011215356_100009813391 [0,1,0,0,0,1|1,0,1]=4 545 B13R1.554 CCC(=O)C(C)NCc1cccs1 2230a_100000211653_100000742827 [0,1,0,0,0,1|2,0,0]=4 546 B13R1.554 CNC(=O)C(C)NCc1cccs1 2230a_100000211653_100000731044 [0,1,0,0,0,1|2,0,0]=4 547 B13R1.554 CNC(=O)C(C)OCc1cccs1 34a_100000211240_100000731044 [0,1,0,0,0,1|2,0,0]=4 548 B13R1.554 CNC(=O)C(F)NCc1cccs1 2230a_100000211653_100009813575 [0,1,0,0,0,1|2,0,0]=4 549 B13R1.554 CNC(=O)C(F)OCc1cccs1 34a_100000211240_100009813575 [0,1,0,0,0,1|2,0,0]=4 550 B13R1.554 COC(=O)C(=O)CSc1cccs1 62a_100011215356_100011610305 [0,1,0,0,0,1|1,0,1]=4 551 B13R1.554 COC(=O)C(=O)CSc1cccs1 62a_100011610305_100011215356 [0,1,0,0,0,1|1,0,1]=4 552 B13R1.554 COC(=O)C(=O)NCc1cccs1 11a_100000211653_100000024059 [0,1,0,0,0,1|1,0,1]=4 553 B13R1.554 COC(=O)C(=O)NCc1cccs1 1626a_100000211653_100000024059 [0,1,0,0,0,1|1,0,1]=4 554 B13R1.554 COC(=O)C(=O)NCc1cccs1 240690a_100000211653_100000024059 [0,1,0,0,0,1|1,0,1]=4 555 B13R1.554 COC(=O)C(=O)NCc1cccs1 527a_100000211653_100000024059 [0,1,0,0,0,1|1,0,1]=4 556 B13R1.554 COC(=O)C(C)CSc1ccco1 62a_100000698445_100009814098 [0,1,0,0,0,1|1,1,0]=4 557 B13R1.554 COC(=O)C(C)CSc1ccco1 62a_100009814098_100000698445 [0,1,0,0,0,1|1,1,0]=4 558 B13R1.554 COC(=O)C(C)CSc1cccs1 62a_100000698445_100011215356 [0,1,0,0,0,1|1,0,0]=3 559 B13R1.554 COC(=O)C(C)CSc1cccs1 62a_100011215356_100000698445 [0,1,0,0,0,1|1,0,0]=3 560 B13R1.554 COC(=O)C(C)CSc1cncs1 62a_100000698445_100011934649 [0,1,0,0,0,1|2,0,0]=4 561 B13R1.554 COC(=O)C(C)CSc1cncs1 62a_100011934649_100000698445 [0,1,0,0,0,1|2,0,0]=4 562 B13R1.554 COC(=O)C(C)CSc1nccs1 62a_100000211983_100000698445 [0,1,0,0,0,1|2,0,0]=4 563 B13R1.554 COC(=O)C(C)CSc1nccs1 62a_100000698445_100000211983 [0,1,0,0,0,1|2,0,0]=4 564 B13R1.554 COC(=O)C(C)NCc1ccco1 2230a_100000185738_100000211248 [0,1,0,0,0,1|1,1,0]=4 565 B13R1.554 COC(=O)C(C)NCc1ccco1 34a_100000185738_100000211248 [0,1,0,0,0,1|1,1,0]=4 566 B13R1.554 COC(=O)C(C)NCc1cccs1 2230a_100000211653_100000211248 [0,1,0,0,0,1|1,0,0]=3 567 B13R1.554 COC(=O)C(C)NCc1cncs1 2230a_100016987365_100000211248 [0,1,0,0,0,1|2,0,0]=4 568 B13R1.554 COC(=O)C(C)NCc1nccs1 2230a_100000740555_100000211248 [0,1,0,0,0,1|2,0,0]=4 569 B13R1.554 COC(=O)C(C)OCc1ccco1 34a_100000210059_100000211248 [0,1,0,0,0,1|1,1,0]=4 570 B13R1.554 COC(=O)C(C)OCc1cccs1 34a_100000211240_100000211248 [0,1,0,0,0,1|1,0,0]=3 571 B13R1.554 COC(=O)C(C)OCc1cncs1 34a_100011215400_100015185245 [0,1,0,0,0,1|2,0,0]=4 572 B13R1.554 COC(=O)C(C)OCc1nccs1 34a_100011215400_100015184050 [0,1,0,0,0,1|2,0,0]=4 573 B13R1.554 COC(=O)C(C)SCc1cncs1 62a_100000211248_100015185245 [0,1,0,0,0,1|2,0,0]=4 574 B13R1.554 COC(=O)C(C)SCc1cncs1 62a_100015185245_100000211248 [0,1,0,0,0,1|2,0,0]=4 575 B13R1.554 COC(=O)C(C)SCc1nccs1 62a_100000211248_100015184050 [0,1,0,0,0,1|2,0,0]=4 576 B13R1.554 COC(=O)C(C)SCc1nccs1 62a_100015184050_100000211248 [0,1,0,0,0,1|2,0,0]=4 577 B13R1.1074 CC(C)(CSc1cccs1)C(=O)N 62a_100011215356_200009895572 [0,1,0,0,0,1|2,0,0]=4 578 B13R1.1074 CC(C)(CSc1cccs1)C(=O)N 62a_200009895572_100011215356 [0,1,0,0,0,1|2,0,0]=4 579 B13R1.1074 CC(C)(NCc1cccs1)C(=O)N 2230a_100000211653_100000702505 [0,1,0,0,0,1|2,0,0]=4 580 B13R1.1074 CC(C)(OCc1cccs1)C(=O)N 34a_100000211240_100000702505 [0,1,0,0,0,1|2,0,0]=4 581 B13R1.1074 O=C([O-])C(F)(F)OCc1cccs1 34a_100000211240_100020612412 [0,1,0,0,0,1|1,0,1]=4 582 B13R1.3383 C=C[C@H](NCc1cncs1)C(=O)O 269956a_100016992060_100015185245 [0,1,0,0,0,1|2,0,0]=4 583 B13R1.3383 C=C[C@H](NCc1nccs1)C(=O)O 269956a_100016992060_100015184050 [0,1,0,0,0,1|2,0,0]=4 584 B13R1.3383 CCC(NCc1cccs1)C(=O)N 2230a_100000211653_100000750255 [0,1,0,0,0,1|2,0,0]=4 585 B13R1.3383 CCC(OCc1cccs1)C(=O)N 34a_100000211240_100000750255 [0,1,0,0,0,1|2,0,0]=4 586 B13R1.3383 CC[C@@H](NCc1cncs1)C(=O)O 269956a_100000747097_100015185245 [0,1,0,0,0,1|2,0,0]=4 587 B13R1.3383 CC[C@@H](NCc1nccs1)C(=O)O 269956a_100000747097_100015184050 [0,1,0,0,0,1|2,0,0]=4 588 B13R1.3383 N#CC(NCc1cccs1)C(=O)N 270004a_100000039599_100000209959 [0,1,0,0,0,1|1,0,1]=4 589 B13R1.3383 NC(=O)[C@H](CO)NCc1cccs1 270004a_100000729942_100000209959 [0,1,0,0,0,1|2,0,0]=4 590 B13R1.3383 O=C(O)C(CO)NCc1cncs1 269956a_100000187304_100015185245 [0,1,0,0,0,1|2,0,0]=4 591 B13R1.3383 O=C(O)C(CO)NCc1nccs1 269956a_100000187304_100015184050 [0,1,0,0,0,1|2,0,0]=4 592 B13R1.3425 CC(=O)C(C)NCc1cc(cs1)Br 2230a_100000741024_100009814033 [0,1,0,0,0,1|2,0,0]=4 593 B13R1.3425 CC(=O)C(C)NCc1cc(cs1)C 2230a_100015204214_100009814033 [0,1,0,0,0,1|2,0,0]=4 594 B13R1.3425 CC(=O)C(C)NCc1ccc(s1)C 2230a_100000238518_100009814033 [0,1,0,0,0,1|2,0,0]=4 595 B13R1.3425 CC(=O)C(C)NCc1ccc(s1)Cl 2230a_100000737310_100009814033 [0,1,0,0,0,1|2,0,0]=4 596 B13R1.3425 CC(=O)C(C)OCc1cc(cs1)Br 34a_100000212229_100000746031 [0,1,0,0,0,1|2,0,0]=4 597 B13R1.3425 CC(=O)C(C)OCc1cc(cs1)Br 7a_100000238369_100000179758 [0,1,0,0,0,1|2,0,0]=4 598 B13R1.3425 CC(=O)C(C)OCc1cc(cs1)C 7a_200000068372_100000179758 [0,1,0,0,0,1|2,0,0]=4 599 B13R1.3425 CC(=O)C(C)OCc1ccc(s1)Br 34a_100000212229_100000708592 [0,1,0,0,0,1|2,0,0]=4 600 B13R1.3425 CC(=O)C(C)OCc1ccc(s1)Cl 34a_100000212229_100000185097 [0,1,0,0,0,1|2,0,0]=4 601 B13R1.3425 CC(=O)C(C)SCc1cc(cs1)Br 62a_100000746031_100009814033 [0,1,0,0,0,1|2,0,0]=4 602 B13R1.3425 CC(=O)C(C)SCc1cc(cs1)Br 62a_100009814033_100000746031 [0,1,0,0,0,1|2,0,0]=4 603 B13R1.3425 CC(=O)C(C)SCc1ccc(s1)Br 62a_100000708592_100009814033 [0,1,0,0,0,1|2,0,0]=4 604 B13R1.3425 CC(=O)C(C)SCc1ccc(s1)Br 62a_100009814033_100000708592 [0,1,0,0,0,1|2,0,0]=4 605 B13R1.3425 CC(=O)C(C)SCc1ccc(s1)Cl 62a_100000185097_100009814033 [0,1,0,0,0,1|2,0,0]=4 606 B13R1.3425 CC(=O)C(C)SCc1ccc(s1)Cl 62a_100009814033_100000185097 [0,1,0,0,0,1|2,0,0]=4 607 B13R1.3425 CC(NCc1cc(cs1)Br)C(=O)N 2230a_100000741024_100000702099 [0,1,0,0,0,1|2,0,0]=4 608 B13R1.3425 CC(NCc1cc(cs1)Br)C(=O)N 34a_100000741024_100000702099 [0,1,0,0,0,1|2,0,0]=4 609 B13R1.3425 CC(NCc1ccc(s1)Cl)C(=O)N 2230a_100000737310_100000702099 [0,1,0,0,0,1|2,0,0]=4 610 B13R1.3425 CC(OCc1cc(cs1)Br)C(=O)N 34a_100000238369_100000702099 [0,1,0,0,0,1|2,0,0]=4 611 B13R1.3425 CC(OCc1cc(cs1)Br)C(=O)N 7a_100000238369_100000702099 [0,1,0,0,0,1|2,0,0]=4 612 B13R1.3425 CC(SCc1cc(cs1)Br)C(=O)N 62a_100000702099_100000746031 [0,1,0,0,0,1|2,0,0]=4 613 B13R1.3425 CC(SCc1cc(cs1)Br)C(=O)N 62a_100000746031_100000702099 [0,1,0,0,0,1|2,0,0]=4 614 B13R1.3425 CC(SCc1ccc(s1)Br)C(=O)N 62a_100000702099_100000708592 [0,1,0,0,0,1|2,0,0]=4 615 B13R1.3425 CC(SCc1ccc(s1)Br)C(=O)N 62a_100000708592_100000702099 [0,1,0,0,0,1|2,0,0]=4 616 B13R1.3425 CC(SCc1ccc(s1)Cl)C(=O)N 62a_100000185097_100000702099 [0,1,0,0,0,1|2,0,0]=4 617 B13R1.3425 CC(SCc1ccc(s1)Cl)C(=O)N 62a_100000702099_100000185097 [0,1,0,0,0,1|2,0,0]=4 618 B13R1.3425 C[C@@H](NCc1cc(cs1)Br)C(=O)N 2230a_100000119354_100000746031 [0,1,0,0,0,1|2,0,0]=4 619 B13R1.3425 C[C@@H](NCc1cc(cs1)Br)C(=O)N 270004a_100000119354_100000211722 [0,1,0,0,0,1|2,0,0]=4 620 B13R1.3425 C[C@@H](NCc1cc(cs1)Br)C(=O)N 34a_100000119354_100000746031 [0,1,0,0,0,1|2,0,0]=4 621 B13R1.3425 C[C@@H](NCc1cc(cs1)Cl)C(=O)N 270004a_100000119354_100000102487 [0,1,0,0,0,1|2,0,0]=4 622 B13R1.3425 C[C@@H](NCc1ccc(s1)Br)C(=O)N 2230a_100000119354_100000708592 [0,1,0,0,0,1|2,0,0]=4 623 B13R1.3425 C[C@@H](NCc1ccc(s1)Br)C(=O)N 270004a_100000119354_100000179771 [0,1,0,0,0,1|2,0,0]=4 624 B13R1.3425 C[C@@H](NCc1ccc(s1)Br)C(=O)N 34a_100000119354_100000708592 [0,1,0,0,0,1|2,0,0]=4 625 B13R1.3425 C[C@@H](NCc1ccc(s1)Cl)C(=O)N 2230a_100000119354_100000185097 [0,1,0,0,0,1|2,0,0]=4 626 B13R1.3425 C[C@@H](NCc1ccc(s1)Cl)C(=O)N 270004a_100000119354_100000242774 [0,1,0,0,0,1|2,0,0]=4 627 B13R1.3425 C[C@@H](NCc1ccc(s1)Cl)C(=O)N 34a_100000119354_100000185097 [0,1,0,0,0,1|2,0,0]=4 628 B13R1.3425 C[C@@H](OCc1cc(cs1)Br)C(=O)N 34a_100000731257_100000746031 [0,1,0,0,0,1|2,0,0]=4 629 B13R1.3425 C[C@@H](OCc1cc(cs1)Br)C(=O)N 7a_100000731257_100000746031 [0,1,0,0,0,1|2,0,0]=4 630 B13R1.3425 C[C@@H](OCc1ccc(s1)Br)C(=O)N 34a_100000731257_100000708592 [0,1,0,0,0,1|2,0,0]=4 631 B13R1.3425 C[C@@H](OCc1ccc(s1)Br)C(=O)N 7a_100000731257_100000708592 [0,1,0,0,0,1|2,0,0]=4 632 B13R1.3425 C[C@@H](OCc1ccc(s1)Cl)C(=O)N 34a_100000731257_100000185097 [0,1,0,0,0,1|2,0,0]=4 633 B13R1.3425 C[C@@H](OCc1ccc(s1)Cl)C(=O)N 7a_100000731257_100000185097 [0,1,0,0,0,1|2,0,0]=4 634 B13R1.3425 C[C@H](NCc1cc(cs1)Br)C(=O)O 269956a_100000743915_100000746031 [0,1,0,0,0,1|1,0,0]=3 635 B13R1.3425 C[C@H](NCc1ccc(s1)Br)C(=O)O 269956a_100000743915_100000708592 [0,1,0,0,0,1|1,0,0]=3 636 B13R1.3425 C[C@H](NCc1ccc(s1)Cl)C(=O)O 269956a_100000743915_100000185097 [0,1,0,0,0,1|1,0,0]=3 637 B13R1.3425 C[C@H](NCc1cnc(s1)Br)C(=O)O 269956a_100000743915_100000717027 [0,1,0,0,0,1|2,0,0]=4 638 B13R1.3425 C[C@H](NCc1cnc(s1)Cl)C(=O)O 269956a_100000743915_100000058068 [0,1,0,0,0,1|2,0,0]=4 639 B13R1.3425 C[C@H](OCc1cc(cs1)Br)C(=O)[O-] 7a_217856618621_100000746031 [0,1,0,0,0,1|1,0,1]=4 640 B13R1.3425 C[C@H](OCc1ccc(s1)Br)C(=O)[O-] 7a_217856618621_100000708592 [0,1,0,0,0,1|1,0,1]=4 641 B13R1.3425 C[C@H](OCc1ccc(s1)Cl)C(=O)[O-] 7a_217856618621_100000185097 [0,1,0,0,0,1|1,0,1]=4 642 B13R1.3425 Cc1ccc(s1)CNC(C)C(=O)N 2230a_100000238518_100000702099 [0,1,0,0,0,1|2,0,0]=4 643 B13R1.3425 Cc1ccc(s1)CNC(F)C(=O)N 2230a_100000238518_100009813875 [0,1,0,0,0,1|2,0,0]=4 644 B13R1.3425 Cc1ccc(s1)CN[C@H](C)C(=O)N 270004a_100000119354_100000211121 [0,1,0,0,0,1|2,0,0]=4 645 B13R1.3425 Cc1ccc(s1)COC(C)C(=O)N 34a_100000238367_100000702099 [0,1,0,0,0,1|2,0,0]=4 646 B13R1.3425 Cc1ccc(s1)COC(F)C(=O)N 34a_100000238367_100009813875 [0,1,0,0,0,1|2,0,0]=4 647 B13R1.3425 Cc1ccc(s1)COC(F)C(=O)[O-] 34a_100000238367_100020610796 [0,1,0,0,0,1|1,0,1]=4 648 B13R1.3425 Cc1csc(c1)CNC(C)C(=O)N 2230a_100015204214_100000702099 [0,1,0,0,0,1|2,0,0]=4 649 B13R1.3425 Cc1csc(c1)CNC(C)C(=O)N 34a_100015204214_100000702099 [0,1,0,0,0,1|2,0,0]=4 650 B13R1.3425 Cc1csc(c1)CNC(F)C(=O)N 2230a_100015204214_100009813875 [0,1,0,0,0,1|2,0,0]=4 651 B13R1.3425 Cc1csc(c1)CNC(F)C(=O)N 34a_100015204214_100009813875 [0,1,0,0,0,1|2,0,0]=4 652 B13R1.3425 Cc1csc(c1)CNC(F)C(=O)[O-] 34a_100015204214_100020610796 [0,1,0,0,0,1|1,0,1]=4 653 B13R1.3425 Cc1csc(c1)CN[C@H](C)C(=O)N 270004a_100000119354_100102525248 [0,1,0,0,0,1|2,0,0]=4 654 B13R1.3425 Cc1csc(c1)COC(C)C(=O)N 34a_200000068372_100000702099 [0,1,0,0,0,1|2,0,0]=4 655 B13R1.3425 Cc1csc(c1)COC(C)C(=O)N 7a_200000068372_100000702099 [0,1,0,0,0,1|2,0,0]=4 656 B13R1.3425 Cc1csc(c1)COC(F)C(=O)N 34a_200000068372_100009813875 [0,1,0,0,0,1|2,0,0]=4 657 B13R1.3425 Cc1csc(c1)COC(F)C(=O)N 7a_200000068372_100009813875 [0,1,0,0,0,1|2,0,0]=4 658 B13R1.3425 Cc1csc(c1)COC(F)C(=O)[O-] 34a_200000068372_100020610796 [0,1,0,0,0,1|1,0,1]=4 659 B13R1.3425 Cc1ncc(s1)CN[C@@H](C)C(=O)O 269956a_100000743915_100020635045 [0,1,0,0,0,1|2,0,0]=4 660 B13R1.3425 NC(=O)C(F)NCc1cc(cs1)Br 2230a_100000741024_100009813875 [0,1,0,0,0,1|2,0,0]=4 661 B13R1.3425 NC(=O)C(F)NCc1cc(cs1)Br 34a_100000741024_100009813875 [0,1,0,0,0,1|2,0,0]=4 662 B13R1.3425 NC(=O)C(F)NCc1ccc(s1)Cl 2230a_100000737310_100009813875 [0,1,0,0,0,1|2,0,0]=4 663 B13R1.3425 NC(=O)C(F)OCc1cc(cs1)Br 34a_100000238369_100009813875 [0,1,0,0,0,1|2,0,0]=4 664 B13R1.3425 NC(=O)C(F)OCc1cc(cs1)Br 7a_100000238369_100009813875 [0,1,0,0,0,1|2,0,0]=4 665 B13R1.3425 NC(=O)C(F)SCc1cc(cs1)Br 62a_100000746031_100009813875 [0,1,0,0,0,1|2,0,0]=4 666 B13R1.3425 NC(=O)C(F)SCc1cc(cs1)Br 62a_100009813875_100000746031 [0,1,0,0,0,1|2,0,0]=4 667 B13R1.3425 NC(=O)C(F)SCc1ccc(s1)Br 62a_100000708592_100009813875 [0,1,0,0,0,1|2,0,0]=4 668 B13R1.3425 NC(=O)C(F)SCc1ccc(s1)Br 62a_100009813875_100000708592 [0,1,0,0,0,1|2,0,0]=4 669 B13R1.3425 NC(=O)C(F)SCc1ccc(s1)Cl 62a_100000185097_100009813875 [0,1,0,0,0,1|2,0,0]=4 670 B13R1.3425 NC(=O)C(F)SCc1ccc(s1)Cl 62a_100009813875_100000185097 [0,1,0,0,0,1|2,0,0]=4 671 B13R1.3425 O=C([O-])C(F)NCc1cc(cs1)Br 34a_100000741024_100020610796 [0,1,0,0,0,1|1,0,1]=4 672 B13R1.3425 O=C([O-])C(F)OCc1cc(cs1)Br 34a_100000238369_100020610796 [0,1,0,0,0,1|1,0,1]=4 673 B13R1.3425 O=C([O-])C(F)SCc1cc(cs1)Br 62a_100000746031_100020610796 [0,1,0,0,0,1|1,0,1]=4 674 B13R1.3425 O=C([O-])C(F)SCc1cc(cs1)Br 62a_100020610796_100000746031 [0,1,0,0,0,1|1,0,1]=4 675 B13R1.3425 O=C([O-])C(F)SCc1ccc(s1)Br 62a_100000708592_100020610796 [0,1,0,0,0,1|1,0,1]=4 676 B13R1.3425 O=C([O-])C(F)SCc1ccc(s1)Br 62a_100020610796_100000708592 [0,1,0,0,0,1|1,0,1]=4 677 B13R1.3425 O=C([O-])C(F)SCc1ccc(s1)Cl 62a_100000185097_100020610796 [0,1,0,0,0,1|1,0,1]=4 678 B13R1.3425 O=C([O-])C(F)SCc1ccc(s1)Cl 62a_100020610796_100000185097 [0,1,0,0,0,1|1,0,1]=4 679 B13R1.134 CN(Cc1cc(cs1)Br)C(=O)CO 240690a_100000207611_100000210174 [0,2,0,0,0,0|2,0,0]=4 680 B13R1.134 CN(Cc1cc(cs1)Br)C(=O)CO 527a_100000207611_100000210174 [0,2,0,0,0,0|2,0,0]=4 681 B13R1.134 COC(=O)C(C)Sc1cc(cs1)C 62a_100000211248_100009876951 [0,2,0,0,0,0|2,0,0]=4 682 B13R1.134 COC(=O)C(C)Sc1cc(cs1)C 62a_100009876951_100000211248 [0,2,0,0,0,0|2,0,0]=4 683 B13R1.134 COC(=O)C(C)Sc1ccc(s1)Br 62a_100000211248_100010197418 [0,2,0,0,0,0|2,0,0]=4 684 B13R1.134 COC(=O)C(C)Sc1ccc(s1)Br 62a_100010197418_100000211248 [0,2,0,0,0,0|2,0,0]=4 685 B13R1.134 COC(=O)C(C)Sc1ccc(s1)C 62a_100000031368_100000211248 [0,2,0,0,0,0|2,0,0]=4 686 B13R1.134 COC(=O)C(C)Sc1ccc(s1)C 62a_100000211248_100000031368 [0,2,0,0,0,0|2,0,0]=4 687 B13R1.134 Cc1ccc(s1)CN(C)C(=O)CO 527a_100000751125_100000210174 [0,2,0,0,0,0|2,0,0]=4 688 B13R1.134 Cc1csc(c1)CN(C)C(=O)CO 240690a_100011502060_100000210174 [0,2,0,0,0,0|2,0,0]=4 689 B13R1.134 Cc1csc(c1)CN(C)C(=O)CO 527a_100011502060_100000210174 [0,2,0,0,0,0|2,0,0]=4 690 B13R1.66 CCOC(=O)C(C)Sc1cccs1 62a_100011215356_100011216346 [0,2,0,0,0,0|2,0,0]=4 691 B13R1.66 CCOC(=O)C(C)Sc1cccs1 62a_100011216346_100011215356 [0,2,0,0,0,0|2,0,0]=4 692 B13R1.66 CCOC(=O)C(F)Sc1cccs1 62a_100000760018_100011215356 [0,2,0,0,0,0|2,0,0]=4 693 B13R1.66 CCOC(=O)C(F)Sc1cccs1 62a_100011215356_100000760018 [0,2,0,0,0,0|2,0,0]=4 694 B13R1.66 CN(Cc1cccs1)C(=O)CCO 240690a_100000184426_100011216618 [0,2,0,0,0,0|2,0,0]=4 695 B13R1.66 COCC(=O)N(C)Cc1cccs1 11a_100000184426_100000210968 [0,2,0,0,0,0|2,0,0]=4 696 B13R1.66 COCC(=O)N(C)Cc1cccs1 240690a_100000184426_100000210968 [0,2,0,0,0,0|2,0,0]=4 697 B13R1.66 COCC(=O)N(C)Cc1cccs1 34a_100138415774_100000185100 [0,2,0,0,0,0|2,0,0]=4 698 B13R1.66 COCC(=O)N(C)Cc1cccs1 527a_100000184426_100000210968 [0,2,0,0,0,0|2,0,0]=4 699 B13R1.83 CC(C(=O)CO)C(=O)c1cccs1 1458a_100000210174_100011262360 [0,2,0,0,0,0|1,0,1]=4 700 B13R1.83 CC(c1cccs1)N(C)C(=O)CO 240690a_100000186410_100000210174 [0,2,0,0,0,0|2,0,0]=4 701 B13R1.83 CC(c1cccs1)N(C)C(=O)CO 527a_100000186410_100000210174 [0,2,0,0,0,0|2,0,0]=4 702 B13R1.704 CN(Cc1sccc1Br)C(=O)CO 240690a_100000767120_100000210174 [0,2,0,0,0,0|2,0,0]=4 703 B13R1.704 CN(Cc1sccc1Br)C(=O)CO 527a_100000767120_100000210174 [0,2,0,0,0,0|2,0,0]=4 704 B13R1.704 COC(=O)C(C)Sc1sccc1Br 62a_100000211248_100012361411 [0,2,0,0,0,0|2,0,0]=4 705 B13R1.704 COC(=O)C(C)Sc1sccc1Br 62a_100012361411_100000211248 [0,2,0,0,0,0|2,0,0]=4 706 B13R1.704 COC(=O)C(C)Sc1sccc1C 62a_100000211248_100010247149 [0,2,0,0,0,0|2,0,0]=4 707 B13R1.704 COC(=O)C(C)Sc1sccc1C 62a_100010247149_100000211248 [0,2,0,0,0,0|2,0,0]=4 708 B13R1.704 Cc1ccsc1CN(C)C(=O)CO 240690a_100000695154_100000210174 [0,2,0,0,0,0|2,0,0]=4 709 B13R1.704 Cc1ccsc1CN(C)C(=O)CO 527a_100000695154_100000210174 [0,2,0,0,0,0|2,0,0]=4 710 B13R1.721 CCC(Sc1cccs1)C(=O)OC 62a_100000235869_100011215356 [0,2,0,0,0,0|2,0,0]=4 711 B13R1.721 CCC(Sc1cccs1)C(=O)OC 62a_100011215356_100000235869 [0,2,0,0,0,0|2,0,0]=4 712 B13R1.721 CCN(Cc1cccs1)C(=O)CO 240690a_100025770963_100000210174 [0,2,0,0,0,0|2,0,0]=4 713 B13R1.721 CCN(Cc1cccs1)C(=O)CO 527a_100025770963_100000210174 [0,2,0,0,0,0|2,0,0]=4 714 B13R1.721 COC(=O)C(C=O)Sc1cccs1 62a_100000046368_100011215356 [0,2,0,0,0,0|2,0,0]=4 715 B13R1.721 COC(=O)C(C=O)Sc1cccs1 62a_100011215356_100000046368 [0,2,0,0,0,0|2,0,0]=4 716 B13R1.721 COC(=O)C(CO)Sc1cccs1 62a_100011215356_100012276630 [0,2,0,0,0,0|2,0,0]=4 717 B13R1.721 COC(=O)C(CO)Sc1cccs1 62a_100012276630_100011215356 [0,2,0,0,0,0|2,0,0]=4 718 B13R1.721 COC(=O)C(OC)Sc1cccs1 62a_100000101307_100011215356 [0,2,0,0,0,0|2,0,0]=4 719 B13R1.721 COC(=O)C(OC)Sc1cccs1 62a_100011215356_100000101307 [0,2,0,0,0,0|2,0,0]=4 720 B13R1.1773 COC(=O)C(C)(C)Sc1cccs1 62a_100000689032_100011215356 [0,2,0,0,0,0|2,0,0]=4 721 B13R1.1773 COC(=O)C(C)(C)Sc1cccs1 62a_100011215356_100000689032 [0,2,0,0,0,0|2,0,0]=4 722 B13R1.1773 COC(=O)C(C)(F)Sc1cccs1 62a_100011215356_200009867631 [0,2,0,0,0,0|2,0,0]=4 723 B13R1.1773 COC(=O)C(C)(F)Sc1cccs1 62a_200009867631_100011215356 [0,2,0,0,0,0|2,0,0]=4 724 B13R1.1773 COC(=O)C(F)(F)Sc1cccs1 62a_100000211177_100011215356 [0,2,0,0,0,0|2,0,0]=4 725 B13R1.1773 COC(=O)C(F)(F)Sc1cccs1 62a_100011215356_100000211177 [0,2,0,0,0,0|2,0,0]=4 726 B13R2.142 O=C1OCC(O1)Sc2cccs2 62a_100011215356_100000032252 [0,0,0,1,0,1|2,0,0]=4 727 B13R2.158 O=C1CCC1OCc2cccs2 34a_100000211240_100009892977 [0,0,0,1,0,1|2,0,0]=4 728 B13R2.29 O=C1OCCC1Sc2cccs2 62a_100000211211_100011215356 [0,1,0,1,0,0|2,0,0]=4 729 B13R2.29 O=C1OCCC1Sc2cccs2 62a_100011215356_100000211211 [0,1,0,1,0,0|2,0,0]=4 730 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [1,0,0,0,0,1|2,0,0]=4 731 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [1,0,0,0,0,1|2,0,0]=4 732 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [1,0,0,0,0,1|2,0,0]=4 733 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [1,0,0,0,0,1|2,0,0]=4 734 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [1,0,0,0,0,1|2,0,0]=4 735 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [1,0,0,0,0,1|2,0,0]=4 736 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [1,0,0,0,0,1|2,0,0]=4 737 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [1,0,0,0,0,1|2,0,0]=4 738 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [1,0,0,0,0,1|2,0,0]=4 739 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [1,0,0,0,0,1|2,0,0]=4 740 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [1,0,0,0,0,1|2,0,0]=4 741 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [1,0,0,0,0,1|2,0,0]=4 742 B11R1.172 C=C(C)CCSc1cccs1 62a_100000730704_100011215356 [1,0,0,0,0,1|2,0,0]=4 743 B11R1.172 C=C(C)CCSc1cccs1 62a_100011215356_100000730704 [1,0,0,0,0,1|2,0,0]=4 744 B11R1.172 C=C(C)CNCc1cccs1 2230a_100000211653_100000748629 [1,0,0,0,0,1|2,0,0]=4 745 B11R1.172 C=C(C)COCc1cccs1 34a_100000211240_100000748629 [1,0,0,0,0,1|2,0,0]=4 746 B11R1.172 C=C(F)CNCc1cccs1 2230a_100000211653_100009893438 [1,0,0,0,0,1|2,0,0]=4 747 B11R1.172 C=C(F)COCc1cccs1 34a_100000211240_100009893438 [1,0,0,0,0,1|2,0,0]=4 748 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000070787_100010992444 [1,0,0,0,0,1|1,0,0]=3 749 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000184482_200000210301 [1,0,0,0,0,1|1,0,0]=3 750 B11R1.172 CC(=O)CCSc1ccco1 62a_100000053229_100009814098 [1,0,0,0,0,1|1,1,0]=4 751 B11R1.172 CC(=O)CCSc1ccco1 62a_100009814098_100000053229 [1,0,0,0,0,1|1,1,0]=4 752 B11R1.172 CC(=O)CCSc1cccs1 62a_100000053229_100011215356 [1,0,0,0,0,1|1,0,0]=3 753 B11R1.172 CC(=O)CCSc1cccs1 62a_100011215356_100000053229 [1,0,0,0,0,1|1,0,0]=3 754 B11R1.172 CC(=O)CCSc1cncs1 62a_100000053229_100011934649 [1,0,0,0,0,1|2,0,0]=4 755 B11R1.172 CC(=O)CCSc1cncs1 62a_100011934649_100000053229 [1,0,0,0,0,1|2,0,0]=4 756 B11R1.172 CC(=O)CCSc1nccs1 62a_100000053229_100000211983 [1,0,0,0,0,1|2,0,0]=4 757 B11R1.172 CC(=O)CCSc1nccs1 62a_100000211983_100000053229 [1,0,0,0,0,1|2,0,0]=4 758 B11R1.172 CC(=O)COCc1cncs1 34a_100000211253_100015185245 [1,0,0,0,0,1|2,0,0]=4 759 B11R1.172 CC(=O)COCc1nccs1 34a_100000211253_100015184050 [1,0,0,0,0,1|2,0,0]=4 760 B11R1.172 CC(=O)NCCc1ccco1 11a_100000694680_100015343762 [1,0,0,0,0,1|1,1,0]=4 761 B11R1.172 CC(=O)NCCc1ccco1 1626a_100000694680_100015343762 [1,0,0,0,0,1|1,1,0]=4 762 B11R1.172 CC(=O)NCCc1ccco1 240690a_100000694680_100015343762 [1,0,0,0,0,1|1,1,0]=4 763 B11R1.172 CC(=O)NCCc1ccco1 527a_100000694680_100103153847 [1,0,0,0,0,1|1,1,0]=4 764 B11R1.172 CC(=O)NCCc1cccs1 11a_100000203755_100015343762 [1,0,0,0,0,1|1,0,0]=3 765 B11R1.172 CC(=O)NCCc1cccs1 1626a_100000203755_100015343762 [1,0,0,0,0,1|1,0,0]=3 766 B11R1.172 CC(=O)NCCc1cccs1 240690a_100000203755_100015343762 [1,0,0,0,0,1|1,0,0]=3 767 B11R1.172 CC(=O)NCCc1cccs1 527a_100000203755_100103153847 [1,0,0,0,0,1|1,0,0]=3 768 B11R1.172 CC(=O)NCCc1cncs1 11a_100016991637_100015343762 [1,0,0,0,0,1|2,0,0]=4 769 B11R1.172 CC(=O)NCCc1cncs1 1626a_100016991637_100015343762 [1,0,0,0,0,1|2,0,0]=4 770 B11R1.172 CC(=O)NCCc1cncs1 240690a_100016991637_100015343762 [1,0,0,0,0,1|2,0,0]=4 771 B11R1.172 CC(=O)NCCc1cncs1 527a_100016991637_100103153847 [1,0,0,0,0,1|2,0,0]=4 772 B11R1.172 CC(=O)NCCc1nccs1 11a_100015186391_100015343762 [1,0,0,0,0,1|2,0,0]=4 773 B11R1.172 CC(=O)NCCc1nccs1 1626a_100015186391_100015343762 [1,0,0,0,0,1|2,0,0]=4 774 B11R1.172 CC(=O)NCCc1nccs1 240690a_100015186391_100015343762 [1,0,0,0,0,1|2,0,0]=4 775 B11R1.172 CC(=O)NCCc1nccs1 527a_100015186391_100103153847 [1,0,0,0,0,1|2,0,0]=4 776 B11R1.172 CC(=O)OCSc1cccs1 62a_100000076356_100011215356 [1,0,0,0,0,1|2,0,0]=4 777 B11R1.172 CC(=O)OCSc1cccs1 62a_100011215356_100000076356 [1,0,0,0,0,1|2,0,0]=4 778 B11R1.172 CC(O)CCSc1cccs1 62a_100011215356_100012276601 [1,0,0,0,0,1|1,0,1]=4 779 B11R1.172 CC(O)CCSc1cccs1 62a_100012276601_100011215356 [1,0,0,0,0,1|1,0,1]=4 780 B11R1.172 CC(O)CNCc1cccs1 207a_100000210904_100000209959 [1,0,0,0,0,1|1,0,1]=4 781 B11R1.172 CC(O)CNCc1cccs1 2230a_100000211653_100011218427 [1,0,0,0,0,1|1,0,1]=4 782 B11R1.172 CC(O)CNCc1cccs1 270004a_100000210904_100000209959 [1,0,0,0,0,1|1,0,1]=4 783 B11R1.172 CC(O)COCc1cccs1 34a_100000211240_100011218427 [1,0,0,0,0,1|1,0,1]=4 784 B11R1.172 C[C@@H](O)CNCc1cccs1 2230a_100000211653_100009817552 [1,0,0,0,0,1|1,0,1]=4 785 B11R1.172 C[C@@H](O)COCc1cccs1 34a_100000211240_100009817552 [1,0,0,0,0,1|1,0,1]=4 786 B11R1.172 NC(=O)CCSc1ccco1 62a_100000744528_100009814098 [1,0,0,0,0,1|1,1,0]=4 787 B11R1.172 NC(=O)CCSc1ccco1 62a_100009814098_100000744528 [1,0,0,0,0,1|1,1,0]=4 788 B11R1.172 NC(=O)CCSc1cccs1 62a_100000744528_100011215356 [1,0,0,0,0,1|1,0,0]=3 789 B11R1.172 NC(=O)CCSc1cccs1 62a_100011215356_100000744528 [1,0,0,0,0,1|1,0,0]=3 790 B11R1.172 NC(=O)CCSc1cncs1 62a_100000744528_100011934649 [1,0,0,0,0,1|2,0,0]=4 791 B11R1.172 NC(=O)CCSc1cncs1 62a_100011934649_100000744528 [1,0,0,0,0,1|2,0,0]=4 792 B11R1.172 NC(=O)CCSc1nccs1 62a_100000211983_100000744528 [1,0,0,0,0,1|2,0,0]=4 793 B11R1.172 NC(=O)CCSc1nccs1 62a_100000744528_100000211983 [1,0,0,0,0,1|2,0,0]=4 794 B11R1.172 NC(=O)CNCc1ccco1 2230a_100000185738_100000747473 [1,0,0,0,0,1|1,1,0]=4 795 B11R1.172 NC(=O)CNCc1ccco1 34a_100000185738_100000187820 [1,0,0,0,0,1|1,1,0]=4 796 B11R1.172 NC(=O)CNCc1cccs1 2230a_100000211653_100000747473 [1,0,0,0,0,1|1,0,0]=3 797 B11R1.172 NC(=O)CNCc1cncs1 2230a_100000711301_100015185245 [1,0,0,0,0,1|2,0,0]=4 798 B11R1.172 NC(=O)CNCc1cncs1 2230a_100016987365_100000747473 [1,0,0,0,0,1|2,0,0]=4 799 B11R1.172 NC(=O)CNCc1nccs1 2230a_100000711301_100015184050 [1,0,0,0,0,1|2,0,0]=4 800 B11R1.172 NC(=O)CNCc1nccs1 2230a_100000740555_100000747473 [1,0,0,0,0,1|2,0,0]=4 801 B11R1.172 NC(=O)COCc1ccco1 34a_100000210059_100000187820 [1,0,0,0,0,1|1,1,0]=4 802 B11R1.172 NC(=O)COCc1cccs1 34a_100000211240_100000187820 [1,0,0,0,0,1|1,0,0]=3 803 B11R1.172 NC(=O)CSCc1cncs1 62a_100000747473_100015185245 [1,0,0,0,0,1|2,0,0]=4 804 B11R1.172 NC(=O)CSCc1cncs1 62a_100015185245_100000747473 [1,0,0,0,0,1|2,0,0]=4 805 B11R1.172 NC(=O)CSCc1nccs1 62a_100000747473_100015184050 [1,0,0,0,0,1|2,0,0]=4 806 B11R1.172 NC(=O)CSCc1nccs1 62a_100015184050_100000747473 [1,0,0,0,0,1|2,0,0]=4 807 B11R1.172 O=C(O)CNCc1c[nH]cn1 269956a_100016091260_100000707719 [1,0,0,0,0,1|2,0,0]=4 808 B11R1.172 O=C(O)CNCc1ccn[nH]1 269956a_100016091260_100000728653 [1,0,0,0,0,1|2,0,0]=4 809 B11R1.172 O=C(O)CNCc1ccon1 269956a_100016091260_100000234950 [1,0,0,0,0,1|2,0,0]=4 810 B11R1.172 O=C(O)CNCc1ccsc1 269956a_100016091260_100011261437 [1,0,0,0,0,1|2,0,0]=4 811 B11R1.172 O=C(O)CNCc1cncs1 269956a_100016091260_100015185245 [1,0,0,0,0,1|1,0,0]=3 812 B11R1.172 O=C(O)CNCc1cscn1 269956a_100016091260_100000205941 [1,0,0,0,0,1|2,0,0]=4 813 B11R1.172 O=C(O)CNCc1ncc[nH]1 269956a_100016091260_100000753453 [1,0,0,0,0,1|2,0,0]=4 814 B11R1.172 O=C(O)CNCc1ncco1 269956a_100016091260_103436540062 [1,0,0,0,0,1|1,1,0]=4 815 B11R1.172 O=C(O)CNCc1nccs1 269956a_100016091260_100015184050 [1,0,0,0,0,1|1,0,0]=3 816 B11R1.172 O=C([O-])CNCc1ccco1 34a_100000185738_100020667443 [1,0,0,0,0,1|0,1,1]=4 817 B11R1.172 O=C([O-])COCc1ccco1 34a_100000210059_100020667443 [1,0,0,0,0,1|0,1,1]=4 818 B11R1.172 O=C([O-])COCc1cccs1 34a_100000211240_100020667443 [1,0,0,0,0,1|0,0,1]=3 819 B11R1.172 O=C([O-])CSCc1cncs1 62a_100015185245_100020667443 [1,0,0,0,0,1|1,0,1]=4 820 B11R1.172 O=C([O-])CSCc1cncs1 62a_100020667443_100015185245 [1,0,0,0,0,1|1,0,1]=4 821 B11R1.172 O=C([O-])CSCc1nccs1 62a_100015184050_100020667443 [1,0,0,0,0,1|1,0,1]=4 822 B11R1.172 O=C([O-])CSCc1nccs1 62a_100020667443_100015184050 [1,0,0,0,0,1|1,0,1]=4 823 B11R1.172 O=[N+]([O-])COCc1cccs1 34a_100000211240_100000761209 [1,0,0,0,0,1|1,0,1]=4 824 B11R1.172 [13CH3]C(=O)CCCc1cccs1 1458a_100000184482_200025704644 [1,0,0,0,0,1|1,0,0]=3 825 B13R1.351 C[C@H](NCc1ccccc1)C(=O)O 269956a_100000743915_100015291786 [0,0,0,0,0,2|2,0,0]=4 826 B13R1.351 C[C@H](NCc1ccccn1)C(=O)O 269956a_100000743915_100000721315 [0,0,0,0,0,2|2,0,0]=4 827 B13R1.351 C[C@H](NCc1cccnc1)C(=O)O 269956a_100000743915_100000733263 [0,0,0,0,0,2|2,0,0]=4 828 B13R1.351 C[C@H](NCc1cccnn1)C(=O)O 269956a_100000743915_100016990269 [0,0,0,0,0,2|2,0,0]=4 829 B13R1.351 C[C@H](NCc1ccncc1)C(=O)O 269956a_100000743915_100015193705 [0,0,0,0,0,2|2,0,0]=4 830 B13R1.351 C[C@H](NCc1cnccn1)C(=O)O 269956a_100000743915_100016995436 [0,0,0,0,0,2|2,0,0]=4 831 B13R1.351 C[C@H](NCc1ncccn1)C(=O)O 269956a_100000743915_100000703007 [0,0,0,0,0,2|2,0,0]=4 832 B13R1.344 CC(Cc1cccs1)NCC(=O)N 2230a_100000751415_100000747473 [0,0,0,0,0,2|2,0,0]=4 833 B13R1.593 CN(CCc1cccs1)CC(=O)O 269956a_100000746989_100000748579 [0,0,0,0,0,2|2,0,0]=4 834 B13R1.1110 CC(=O)C(C)NCCc1cccs1 2230a_100000203755_100009814033 [0,0,0,0,0,2|2,0,0]=4 835 B13R1.1110 CC(=O)C(C)OCCc1cccs1 34a_100000212229_100000748579 [0,0,0,0,0,2|2,0,0]=4 836 B13R1.1110 CC(=O)C(C)OCCc1cccs1 7a_100011216825_100000179758 [0,0,0,0,0,2|2,0,0]=4 837 B13R1.1110 CC(=O)C(C)SCCc1cccs1 62a_100000748579_100009814033 [0,0,0,0,0,2|2,0,0]=4 838 B13R1.1110 CC(=O)C(C)SCCc1cccs1 62a_100009814033_100000748579 [0,0,0,0,0,2|2,0,0]=4 839 B13R1.1110 CC(CNCc1cncs1)C(=O)O 269956a_100000749485_100015185245 [0,0,0,0,0,2|2,0,0]=4 840 B13R1.1110 CC(CNCc1nccs1)C(=O)O 269956a_100000749485_100015184050 [0,0,0,0,0,2|2,0,0]=4 841 B13R1.1110 CC(NCCc1cccs1)C(=O)N 2230a_100000203755_100000702099 [0,0,0,0,0,2|2,0,0]=4 842 B13R1.1110 CC(NCCc1cccs1)C(=O)N 34a_100000203755_100000702099 [0,0,0,0,0,2|2,0,0]=4 843 B13R1.1110 CC(OCCc1cccs1)C(=O)N 34a_100011216825_100000702099 [0,0,0,0,0,2|2,0,0]=4 844 B13R1.1110 CC(OCCc1cccs1)C(=O)N 7a_100011216825_100000702099 [0,0,0,0,0,2|2,0,0]=4 845 B13R1.1110 CC(SCCc1cccs1)C(=O)N 62a_100000702099_100000748579 [0,0,0,0,0,2|2,0,0]=4 846 B13R1.1110 CC(SCCc1cccs1)C(=O)N 62a_100000748579_100000702099 [0,0,0,0,0,2|2,0,0]=4 847 B13R1.1110 C[C@@H](NCCc1cccs1)C(=O)N 2230a_100000119354_100000748579 [0,0,0,0,0,2|2,0,0]=4 848 B13R1.1110 C[C@@H](NCCc1cccs1)C(=O)N 34a_100000119354_100000748579 [0,0,0,0,0,2|2,0,0]=4 849 B13R1.1110 C[C@@H](OCCc1cccs1)C(=O)N 34a_100000731257_100000748579 [0,0,0,0,0,2|2,0,0]=4 850 B13R1.1110 C[C@@H](OCCc1cccs1)C(=O)N 7a_100000731257_100000748579 [0,0,0,0,0,2|2,0,0]=4 851 B13R1.1110 C[C@H](NCCc1cccs1)C(=O)O 269956a_100000743915_100000748579 [0,0,0,0,0,2|1,0,0]=3 852 B13R1.1110 C[C@H](OCCc1cccs1)C(=O)[O-] 7a_217856618621_100000748579 [0,0,0,0,0,2|1,0,1]=4 853 B13R1.1110 NC(=O)C(F)NCCc1cccs1 2230a_100000203755_100009813875 [0,0,0,0,0,2|2,0,0]=4 854 B13R1.1110 NC(=O)C(F)NCCc1cccs1 34a_100000203755_100009813875 [0,0,0,0,0,2|2,0,0]=4 855 B13R1.1110 NC(=O)C(F)OCCc1cccs1 34a_100011216825_100009813875 [0,0,0,0,0,2|2,0,0]=4 856 B13R1.1110 NC(=O)C(F)OCCc1cccs1 7a_100011216825_100009813875 [0,0,0,0,0,2|2,0,0]=4 857 B13R1.1110 NC(=O)C(F)SCCc1cccs1 62a_100000748579_100009813875 [0,0,0,0,0,2|2,0,0]=4 858 B13R1.1110 NC(=O)C(F)SCCc1cccs1 62a_100009813875_100000748579 [0,0,0,0,0,2|2,0,0]=4 859 B13R1.1110 NC(=O)[C@@H](N)COCc1cncs1 34a_100000729942_100015185245 [0,0,0,0,0,2|2,0,0]=4 860 B13R1.1110 NC(=O)[C@@H](N)COCc1nccs1 34a_100000729942_100015184050 [0,0,0,0,0,2|2,0,0]=4 861 B13R1.1110 O=C(O)C(F)CNCc1cncs1 269956a_100000084737_100015185245 [0,0,0,0,0,2|2,0,0]=4 862 B13R1.1110 O=C(O)C(F)CNCc1nccs1 269956a_100000084737_100015184050 [0,0,0,0,0,2|2,0,0]=4 863 B13R1.1110 O=C([O-])C(F)NCCc1cccs1 34a_100000203755_100020610796 [0,0,0,0,0,2|1,0,1]=4 864 B13R1.1110 O=C([O-])C(F)OCCc1cccs1 34a_100011216825_100020610796 [0,0,0,0,0,2|1,0,1]=4 865 B13R1.1110 O=C([O-])C(F)SCCc1cccs1 62a_100000748579_100020610796 [0,0,0,0,0,2|1,0,1]=4 866 B13R1.1110 O=C([O-])C(F)SCCc1cccs1 62a_100020610796_100000748579 [0,0,0,0,0,2|1,0,1]=4