0 B10R1.66 C=C(C)CSc1c[nH]cn1 62a_100000748629_100000756875 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.66 C=C(C)CSc1c[nH]cn1 62a_100000756875_100000211660 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.66 C=C(C)CSc1c[nH]nn1 62a_100000748629_100009819707 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.66 C=C(C)CSc1c[nH]nn1 62a_100009819707_100000211660 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.66 C=C(C)CSc1cscn1 62a_100000748629_100000751502 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.66 C=C(C)CSc1cscn1 62a_100000751502_100000211660 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.66 C=C(C)CSc1nc[nH]n1 62a_100000748629_100000761765 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.66 C=C(C)CSc1nc[nH]n1 62a_100000761765_100000211660 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.66 C=C(F)CSc1c[nH]cn1 62a_100000042424_100000756875 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.66 C=C(F)CSc1c[nH]cn1 62a_100000756875_100000042424 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.66 C=C(F)CSc1c[nH]nn1 62a_100000042424_100009819707 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.66 C=C(F)CSc1c[nH]nn1 62a_100009819707_100000042424 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.66 C=C(F)CSc1cscn1 62a_100000042424_100000751502 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.66 C=C(F)CSc1cscn1 62a_100000751502_100000042424 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.66 C=C(F)CSc1nc[nH]n1 62a_100000042424_100000761765 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.66 C=C(F)CSc1nc[nH]n1 62a_100000761765_100000042424 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.66 CC(=O)C=Cc1c[nH]cn1 1458a_100102678534_200000210301 [0,0,0,0,0,0|1,0,2]=3 17 B10R1.66 CC(=O)C=Cc1cscn1 1458a_200000747928_200000210301 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.66 CC(=O)CCc1c[nH]cn1 1458a_100000070787_100020628418 [0,0,0,0,0,0|1,0,0]=1 19 B10R1.66 CC(=O)CCc1cc[nH]c1 1458a_200000093579_200000210301 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.66 CC(=O)CCc1ccsc1 1458a_100000195497_200000210301 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.66 CC(=O)CCc1cn[nH]c1 1458a_100000070787_100000743252 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.66 CC(=O)CCc1cnc[nH]1 1458a_100000044180_200000210301 [0,0,0,0,0,0|1,0,2]=3 27 B10R1.66 CC(=O)CCc1cncs1 1458a_100012184922_200000210301 [0,0,0,0,0,0|2,0,1]=3 28 B10R1.66 CC(=O)CCc1ncc[nH]1 1458a_100000722789_200000210301 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.66 CC(=O)CCc1nccs1 1458a_100000742873_200000210301 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.66 CC(=O)CCc1nnn[nH]1 1458a_100000070787_100000031946 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.66 CC(=O)CCn1cccc1 1458a_100000070787_200000035178 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.66 CC(=O)CCn1cccc1 1458a_100011196273_200000210301 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.66 CC(=O)CCn1cccn1 1458a_100000070787_100000685285 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.66 CC(=O)CCn1cccn1 1458a_100000242649_200000210301 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.66 CC(=O)CCn1ccnc1 1458a_100000070787_100000702546 [0,0,0,0,0,0|3,0,1]=4 36 B10R1.66 CC(=O)CCn1ccnc1 1458a_100000176952_200000210301 [0,0,0,0,0,0|3,0,1]=4 37 B10R1.66 CC(=O)CCn1ccnn1 1458a_100000741450_200000210301 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.66 CC(=O)CCn1cncn1 1458a_100000070787_100000731791 [0,0,0,0,0,0|2,0,1]=3 39 B10R1.66 CC(=O)CCn1cncn1 1458a_100000242768_200000210301 [0,0,0,0,0,0|2,0,1]=3 40 B10R1.66 CC(=O)CCn1cnnn1 1458a_100000724085_200000210301 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.66 CC(=O)NCc1c[nH]cn1 11a_100000758547_100015343762 [0,0,0,0,0,0|2,0,0]=2 42 B10R1.66 CC(=O)NCc1c[nH]cn1 240690a_100000758547_100015343762 [0,0,0,0,0,0|2,0,0]=2 43 B10R1.66 CC(=O)NCc1c[nH]cn1 527a_100000758547_100103153847 [0,0,0,0,0,0|2,0,0]=2 44 B10R1.66 CC(=O)NCc1c[nH]nn1 11a_100020620823_100015343762 [0,0,0,0,0,0|3,0,0]=3 45 B10R1.66 CC(=O)NCc1c[nH]nn1 240690a_100020620823_100015343762 [0,0,0,0,0,0|3,0,0]=3 46 B10R1.66 CC(=O)NCc1c[nH]nn1 527a_100020620823_100103153847 [0,0,0,0,0,0|3,0,0]=3 47 B10R1.66 CC(=O)NCc1cc[nH]n1 11a_100000739516_100015343762 [0,0,0,0,0,0|4,0,0]=4 48 B10R1.66 CC(=O)NCc1cc[nH]n1 240690a_100000739516_100015343762 [0,0,0,0,0,0|4,0,0]=4 49 B10R1.66 CC(=O)NCc1cc[nH]n1 527a_100000739516_100103153847 [0,0,0,0,0,0|4,0,0]=4 50 B10R1.66 CC(=O)NCc1ccc[nH]1 11a_100000764082_100015343762 [0,0,0,0,0,0|3,0,1]=4 51 B10R1.66 CC(=O)NCc1ccc[nH]1 240690a_100000764082_100015343762 [0,0,0,0,0,0|3,0,1]=4 52 B10R1.66 CC(=O)NCc1ccc[nH]1 527a_100000764082_100103153847 [0,0,0,0,0,0|3,0,1]=4 53 B10R1.66 CC(=O)NCc1ccco1 11a_100000185738_100015343762 [0,0,0,0,0,0|4,0,0]=4 54 B10R1.66 CC(=O)NCc1ccco1 1626a_100000185738_100015343762 [0,0,0,0,0,0|4,0,0]=4 55 B10R1.66 CC(=O)NCc1ccco1 240690a_100000185738_100015343762 [0,0,0,0,0,0|4,0,0]=4 56 B10R1.66 CC(=O)NCc1ccco1 527a_100000185738_100103153847 [0,0,0,0,0,0|4,0,0]=4 57 B10R1.66 CC(=O)NCc1cccs1 11a_100000211653_100015343762 [0,0,0,0,0,0|4,0,0]=4 58 B10R1.66 CC(=O)NCc1cccs1 1626a_100000211653_100015343762 [0,0,0,0,0,0|4,0,0]=4 59 B10R1.66 CC(=O)NCc1cccs1 240690a_100000211653_100015343762 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.66 CC(=O)NCc1cccs1 527a_100000211653_100103153847 [0,0,0,0,0,0|4,0,0]=4 61 B10R1.66 CC(=O)NCc1ccoc1 11a_100015206860_100015343762 [0,0,0,0,0,0|4,0,0]=4 62 B10R1.66 CC(=O)NCc1ccoc1 1626a_100015206860_100015343762 [0,0,0,0,0,0|4,0,0]=4 63 B10R1.66 CC(=O)NCc1ccoc1 240690a_100015206860_100015343762 [0,0,0,0,0,0|4,0,0]=4 64 B10R1.66 CC(=O)NCc1ccoc1 527a_100015206860_100103153847 [0,0,0,0,0,0|4,0,0]=4 65 B10R1.66 CC(=O)NCc1ccon1 11a_100000688301_100015343762 [0,0,0,0,0,0|4,0,0]=4 66 B10R1.66 CC(=O)NCc1ccon1 240690a_100000688301_100015343762 [0,0,0,0,0,0|4,0,0]=4 67 B10R1.66 CC(=O)NCc1ccon1 527a_100000688301_100103153847 [0,0,0,0,0,0|4,0,0]=4 68 B10R1.66 CC(=O)NCc1ccsc1 11a_100000186416_100015343762 [0,0,0,0,0,0|4,0,0]=4 69 B10R1.66 CC(=O)NCc1ccsc1 1626a_100000186416_100015343762 [0,0,0,0,0,0|4,0,0]=4 70 B10R1.66 CC(=O)NCc1ccsc1 240690a_100000186416_100015343762 [0,0,0,0,0,0|4,0,0]=4 71 B10R1.66 CC(=O)NCc1ccsc1 527a_100000186416_100103153847 [0,0,0,0,0,0|4,0,0]=4 72 B10R1.66 CC(=O)NCc1cn[nH]c1 11a_100000737208_100015343762 [0,0,0,0,0,0|4,0,0]=4 73 B10R1.66 CC(=O)NCc1cn[nH]c1 240690a_100000737208_100015343762 [0,0,0,0,0,0|4,0,0]=4 74 B10R1.66 CC(=O)NCc1cnco1 11a_100020634212_100015343762 [0,0,0,0,0,0|3,0,1]=4 75 B10R1.66 CC(=O)NCc1cnco1 240690a_100020634212_100015343762 [0,0,0,0,0,0|3,0,1]=4 76 B10R1.66 CC(=O)NCc1cnco1 527a_100020634212_100103153847 [0,0,0,0,0,0|3,0,1]=4 77 B10R1.66 CC(=O)NCc1cncs1 11a_100016987365_100015343762 [0,0,0,0,0,0|3,0,1]=4 78 B10R1.66 CC(=O)NCc1cncs1 240690a_100016987365_100015343762 [0,0,0,0,0,0|3,0,1]=4 79 B10R1.66 CC(=O)NCc1cncs1 527a_100016987365_100103153847 [0,0,0,0,0,0|3,0,1]=4 80 B10R1.66 CC(=O)NCc1cocn1 11a_100015188801_100015343762 [0,0,0,0,0,0|3,0,0]=3 81 B10R1.66 CC(=O)NCc1cocn1 240690a_100015188801_100015343762 [0,0,0,0,0,0|3,0,0]=3 82 B10R1.66 CC(=O)NCc1cocn1 527a_100015188801_100103153847 [0,0,0,0,0,0|3,0,0]=3 83 B10R1.66 CC(=O)NCc1cscn1 11a_100015185402_100015343762 [0,0,0,0,0,0|3,0,0]=3 84 B10R1.66 CC(=O)NCc1cscn1 1626a_100015185402_100015343762 [0,0,0,0,0,0|3,0,0]=3 85 B10R1.66 CC(=O)NCc1cscn1 240690a_100015185402_100015343762 [0,0,0,0,0,0|3,0,0]=3 86 B10R1.66 CC(=O)NCc1cscn1 527a_100015185402_100103153847 [0,0,0,0,0,0|3,0,0]=3 87 B10R1.66 CC(=O)NCc1ncc[nH]1 11a_100000754540_100015343762 [0,0,0,0,0,0|4,0,0]=4 88 B10R1.66 CC(=O)NCc1ncc[nH]1 240690a_100000754540_100015343762 [0,0,0,0,0,0|4,0,0]=4 89 B10R1.66 CC(=O)NCc1ncc[nH]1 527a_100000754540_100103153847 [0,0,0,0,0,0|4,0,0]=4 90 B10R1.66 CC(=O)NCc1ncco1 11a_100016994969_100015343762 [0,0,0,0,0,0|4,0,0]=4 91 B10R1.66 CC(=O)NCc1ncco1 1626a_100016994969_100015343762 [0,0,0,0,0,0|4,0,0]=4 92 B10R1.66 CC(=O)NCc1ncco1 240690a_100016994969_100015343762 [0,0,0,0,0,0|4,0,0]=4 93 B10R1.66 CC(=O)NCc1ncco1 527a_100016994969_100103153847 [0,0,0,0,0,0|4,0,0]=4 94 B10R1.66 CC(=O)NCc1nccs1 11a_100000740555_100015343762 [0,0,0,0,0,0|4,0,0]=4 95 B10R1.66 CC(=O)NCc1nccs1 1626a_100000740555_100015343762 [0,0,0,0,0,0|4,0,0]=4 96 B10R1.66 CC(=O)NCc1nccs1 240690a_100000740555_100015343762 [0,0,0,0,0,0|4,0,0]=4 97 B10R1.66 CC(=O)NCc1nccs1 527a_100000740555_100103153847 [0,0,0,0,0,0|4,0,0]=4 98 B10R1.66 CC(C)CSc1c[nH]cn1 62a_100000210624_100000756875 [0,0,0,0,0,0|3,0,1]=4 99 B10R1.66 CC(C)CSc1c[nH]cn1 62a_100000756875_100000210760 [0,0,0,0,0,0|3,0,1]=4 100 B10R1.66 CC(C)NCc1c[nH]cn1 2230a_100138425928_100000707719 [0,0,0,0,0,0|3,0,1]=4 101 B10R1.66 CC(C)NCc1c[nH]cn1 34a_100138425928_100000707719 [0,0,0,0,0,0|3,0,1]=4 102 B10R1.66 CC(C)OCc1c[nH]cn1 34a_100000212225_100000707719 [0,0,0,0,0,0|3,0,1]=4 103 B10R1.66 CC(C)SCc1c[nH]cn1 62a_100000210206_100000707719 [0,0,0,0,0,0|3,0,1]=4 104 B10R1.66 CC(C)SCc1c[nH]cn1 62a_100000707719_100000210206 [0,0,0,0,0,0|3,0,1]=4 105 B10R1.66 CC(O)C=Cc1c[nH]cn1 271570a_200011019289_100000756875 [0,0,0,0,0,0|1,0,3]=4 106 B10R1.66 CC(O)CSc1c[nH]cn1 62a_100000756875_100011218427 [0,0,0,0,0,0|2,0,1]=3 107 B10R1.66 CC(O)CSc1c[nH]cn1 62a_100011218427_100000756875 [0,0,0,0,0,0|2,0,1]=3 108 B10R1.66 CC(O)CSc1c[nH]nn1 62a_100009819707_100011218427 [0,0,0,0,0,0|3,0,1]=4 109 B10R1.66 CC(O)CSc1c[nH]nn1 62a_100011218427_100009819707 [0,0,0,0,0,0|3,0,1]=4 110 B10R1.66 CC(O)CSc1cscn1 62a_100000751502_100011218427 [0,0,0,0,0,0|3,0,1]=4 111 B10R1.66 CC(O)CSc1cscn1 62a_100011218427_100000751502 [0,0,0,0,0,0|3,0,1]=4 112 B10R1.66 CC(O)CSc1nc[nH]n1 62a_100000761765_100011218427 [0,0,0,0,0,0|3,0,1]=4 113 B10R1.66 CC(O)CSc1nc[nH]n1 62a_100011218427_100000761765 [0,0,0,0,0,0|3,0,1]=4 114 B10R1.66 CN(C)CCc1c[nH]cn1 2230a_100102631434_100020628418 [0,0,0,0,0,0|3,0,0]=3 115 B10R1.66 CN(C)CCc1c[nH]cn1 269982a_100102631434_100020628418 [0,0,0,0,0,0|3,0,0]=3 116 B10R1.66 C[C@@H](O)CSc1c[nH]cn1 62a_100000756875_100009817552 [0,0,0,0,0,0|2,0,1]=3 117 B10R1.66 C[C@@H](O)CSc1c[nH]cn1 62a_100009817552_100000756875 [0,0,0,0,0,0|2,0,1]=3 118 B10R1.66 C[C@@H](O)CSc1c[nH]nn1 62a_100009817552_100009819707 [0,0,0,0,0,0|3,0,1]=4 119 B10R1.66 C[C@@H](O)CSc1c[nH]nn1 62a_100009819707_100009817552 [0,0,0,0,0,0|3,0,1]=4 120 B10R1.66 C[C@@H](O)CSc1cscn1 62a_100000751502_100009817552 [0,0,0,0,0,0|3,0,1]=4 121 B10R1.66 C[C@@H](O)CSc1cscn1 62a_100009817552_100000751502 [0,0,0,0,0,0|3,0,1]=4 122 B10R1.66 C[C@@H](O)CSc1nc[nH]n1 62a_100000761765_100009817552 [0,0,0,0,0,0|3,0,1]=4 123 B10R1.66 C[C@@H](O)CSc1nc[nH]n1 62a_100009817552_100000761765 [0,0,0,0,0,0|3,0,1]=4 124 B10R1.66 FC(F)CSc1c[nH]cn1 62a_100000756875_100011934356 [0,0,0,0,0,0|3,0,1]=4 125 B10R1.66 FC(F)CSc1c[nH]cn1 62a_100011934356_100000756875 [0,0,0,0,0,0|3,0,1]=4 126 B10R1.66 NC(=O)COc1ccsc1 34a_100000106738_100000187820 [0,0,0,0,0,0|4,0,0]=4 127 B10R1.66 NC(=O)COc1ccsc1 7a_100000106738_100000187820 [0,0,0,0,0,0|4,0,0]=4 128 B10R1.66 NC(=O)CSc1c[nH]cn1 62a_100000747473_100000756875 [0,0,0,0,0,0|2,0,0]=2 129 B10R1.66 NC(=O)CSc1c[nH]cn1 62a_100000756875_100000747473 [0,0,0,0,0,0|2,0,0]=2 130 B10R1.66 NC(=O)CSc1c[nH]nn1 62a_100000747473_100009819707 [0,0,0,0,0,0|3,0,0]=3 131 B10R1.66 NC(=O)CSc1c[nH]nn1 62a_100009819707_100000747473 [0,0,0,0,0,0|3,0,0]=3 132 B10R1.66 NC(=O)CSc1cc[nH]n1 62a_100000062575_100000747473 [0,0,0,0,0,0|4,0,0]=4 133 B10R1.66 NC(=O)CSc1cc[nH]n1 62a_100000747473_100000062575 [0,0,0,0,0,0|4,0,0]=4 134 B10R1.66 NC(=O)CSc1ccco1 62a_100000747473_100009814098 [0,0,0,0,0,0|4,0,0]=4 135 B10R1.66 NC(=O)CSc1ccco1 62a_100009814098_100000747473 [0,0,0,0,0,0|4,0,0]=4 136 B10R1.66 NC(=O)CSc1cccs1 62a_100000747473_100011215356 [0,0,0,0,0,0|4,0,0]=4 137 B10R1.66 NC(=O)CSc1cccs1 62a_100011215356_100000747473 [0,0,0,0,0,0|4,0,0]=4 138 B10R1.66 NC(=O)CSc1ccoc1 62a_100000747473_100011215275 [0,0,0,0,0,0|4,0,0]=4 139 B10R1.66 NC(=O)CSc1ccoc1 62a_100011215275_100000747473 [0,0,0,0,0,0|4,0,0]=4 140 B10R1.66 NC(=O)CSc1ccon1 62a_100000747473_100009818083 [0,0,0,0,0,0|4,0,0]=4 141 B10R1.66 NC(=O)CSc1ccon1 62a_100009818083_100000747473 [0,0,0,0,0,0|4,0,0]=4 142 B10R1.66 NC(=O)CSc1ccsc1 62a_100000738268_100000747473 [0,0,0,0,0,0|4,0,0]=4 143 B10R1.66 NC(=O)CSc1ccsc1 62a_100000747473_100000738268 [0,0,0,0,0,0|4,0,0]=4 144 B10R1.66 NC(=O)CSc1ccsn1 62a_100000747473_100009818082 [0,0,0,0,0,0|4,0,0]=4 145 B10R1.66 NC(=O)CSc1ccsn1 62a_100009818082_100000747473 [0,0,0,0,0,0|4,0,0]=4 146 B10R1.66 NC(=O)CSc1cn[nH]c1 62a_100000238712_100000747473 [0,0,0,0,0,0|4,0,0]=4 147 B10R1.66 NC(=O)CSc1cn[nH]c1 62a_100000747473_100000238712 [0,0,0,0,0,0|4,0,0]=4 148 B10R1.66 NC(=O)CSc1cnco1 62a_100000747473_100020591547 [0,0,0,0,0,0|3,0,1]=4 149 B10R1.66 NC(=O)CSc1cnco1 62a_100020591547_100000747473 [0,0,0,0,0,0|3,0,1]=4 150 B10R1.66 NC(=O)CSc1cncs1 62a_100000747473_100011934649 [0,0,0,0,0,0|3,0,1]=4 151 B10R1.66 NC(=O)CSc1cncs1 62a_100011934649_100000747473 [0,0,0,0,0,0|3,0,1]=4 152 B10R1.66 NC(=O)CSc1cscn1 62a_100000747473_100000751502 [0,0,0,0,0,0|3,0,0]=3 153 B10R1.66 NC(=O)CSc1cscn1 62a_100000751502_100000747473 [0,0,0,0,0,0|3,0,0]=3 154 B10R1.66 NC(=O)CSc1nc[nH]n1 62a_100000747473_100000761765 [0,0,0,0,0,0|3,0,0]=3 155 B10R1.66 NC(=O)CSc1nc[nH]n1 62a_100000761765_100000747473 [0,0,0,0,0,0|3,0,0]=3 156 B10R1.66 NC(=O)CSc1ncc[nH]1 62a_100000747473_100025796157 [0,0,0,0,0,0|4,0,0]=4 157 B10R1.66 NC(=O)CSc1ncc[nH]1 62a_100025796157_100000747473 [0,0,0,0,0,0|4,0,0]=4 158 B10R1.66 NC(=O)CSc1ncco1 62a_100000747473_100011787736 [0,0,0,0,0,0|4,0,0]=4 159 B10R1.66 NC(=O)CSc1ncco1 62a_100011787736_100000747473 [0,0,0,0,0,0|4,0,0]=4 160 B10R1.66 NC(=O)CSc1nccs1 62a_100000211983_100000747473 [0,0,0,0,0,0|4,0,0]=4 161 B10R1.66 NC(=O)CSc1nccs1 62a_100000747473_100000211983 [0,0,0,0,0,0|4,0,0]=4 162 B10R1.66 NC(=O)CSc1ncns1 62a_100000693119_100000747473 [0,0,0,0,0,0|3,0,1]=4 163 B10R1.66 NC(=O)CSc1ncns1 62a_100000747473_100000693119 [0,0,0,0,0,0|3,0,1]=4 164 B10R1.66 O=C([O-])COc1ccsc1 34a_100000106738_100020667443 [0,0,0,0,0,0|3,0,1]=4 165 B10R1.66 O=C([O-])CSc1c[nH]cn1 62a_100000756875_100020667443 [0,0,0,0,0,0|1,0,1]=2 166 B10R1.66 O=C([O-])CSc1c[nH]cn1 62a_100020667443_100000756875 [0,0,0,0,0,0|1,0,1]=2 167 B10R1.66 O=C([O-])CSc1c[nH]nn1 62a_100009819707_100020667443 [0,0,0,0,0,0|2,0,1]=3 168 B10R1.66 O=C([O-])CSc1c[nH]nn1 62a_100020667443_100009819707 [0,0,0,0,0,0|2,0,1]=3 169 B10R1.66 O=C([O-])CSc1cc[nH]n1 62a_100000062575_100020667443 [0,0,0,0,0,0|3,0,1]=4 170 B10R1.66 O=C([O-])CSc1cc[nH]n1 62a_100020667443_100000062575 [0,0,0,0,0,0|3,0,1]=4 171 B10R1.66 O=C([O-])CSc1ccco1 62a_100009814098_100020667443 [0,0,0,0,0,0|3,0,1]=4 172 B10R1.66 O=C([O-])CSc1ccco1 62a_100020667443_100009814098 [0,0,0,0,0,0|3,0,1]=4 173 B10R1.66 O=C([O-])CSc1cccs1 62a_100011215356_100020667443 [0,0,0,0,0,0|3,0,1]=4 174 B10R1.66 O=C([O-])CSc1cccs1 62a_100020667443_100011215356 [0,0,0,0,0,0|3,0,1]=4 175 B10R1.66 O=C([O-])CSc1ccoc1 62a_100011215275_100020667443 [0,0,0,0,0,0|3,0,1]=4 176 B10R1.66 O=C([O-])CSc1ccoc1 62a_100020667443_100011215275 [0,0,0,0,0,0|3,0,1]=4 177 B10R1.66 O=C([O-])CSc1ccon1 62a_100009818083_100020667443 [0,0,0,0,0,0|3,0,1]=4 178 B10R1.66 O=C([O-])CSc1ccon1 62a_100020667443_100009818083 [0,0,0,0,0,0|3,0,1]=4 179 B10R1.66 O=C([O-])CSc1ccsc1 62a_100000738268_100020667443 [0,0,0,0,0,0|3,0,1]=4 180 B10R1.66 O=C([O-])CSc1ccsc1 62a_100020667443_100000738268 [0,0,0,0,0,0|3,0,1]=4 181 B10R1.66 O=C([O-])CSc1ccsn1 62a_100009818082_100020667443 [0,0,0,0,0,0|3,0,1]=4 182 B10R1.66 O=C([O-])CSc1ccsn1 62a_100020667443_100009818082 [0,0,0,0,0,0|3,0,1]=4 183 B10R1.66 O=C([O-])CSc1cn[nH]c1 62a_100000238712_100020667443 [0,0,0,0,0,0|3,0,1]=4 184 B10R1.66 O=C([O-])CSc1cn[nH]c1 62a_100020667443_100000238712 [0,0,0,0,0,0|3,0,1]=4 185 B10R1.66 O=C([O-])CSc1cnco1 62a_100020591547_100020667443 [0,0,0,0,0,0|2,0,2]=4 186 B10R1.66 O=C([O-])CSc1cnco1 62a_100020667443_100020591547 [0,0,0,0,0,0|2,0,2]=4 187 B10R1.66 O=C([O-])CSc1cncs1 62a_100011934649_100020667443 [0,0,0,0,0,0|2,0,2]=4 188 B10R1.66 O=C([O-])CSc1cncs1 62a_100020667443_100011934649 [0,0,0,0,0,0|2,0,2]=4 189 B10R1.66 O=C([O-])CSc1cscn1 62a_100000751502_100020667443 [0,0,0,0,0,0|2,0,1]=3 190 B10R1.66 O=C([O-])CSc1cscn1 62a_100020667443_100000751502 [0,0,0,0,0,0|2,0,1]=3 191 B10R1.66 O=C([O-])CSc1nc[nH]n1 62a_100000761765_100020667443 [0,0,0,0,0,0|2,0,1]=3 192 B10R1.66 O=C([O-])CSc1nc[nH]n1 62a_100020667443_100000761765 [0,0,0,0,0,0|2,0,1]=3 193 B10R1.66 O=C([O-])CSc1ncc[nH]1 62a_100020667443_100025796157 [0,0,0,0,0,0|3,0,1]=4 194 B10R1.66 O=C([O-])CSc1ncc[nH]1 62a_100025796157_100020667443 [0,0,0,0,0,0|3,0,1]=4 195 B10R1.66 O=C([O-])CSc1ncco1 62a_100011787736_100020667443 [0,0,0,0,0,0|3,0,1]=4 196 B10R1.66 O=C([O-])CSc1ncco1 62a_100020667443_100011787736 [0,0,0,0,0,0|3,0,1]=4 197 B10R1.66 O=C([O-])CSc1nccs1 62a_100000211983_100020667443 [0,0,0,0,0,0|3,0,1]=4 198 B10R1.66 O=C([O-])CSc1nccs1 62a_100020667443_100000211983 [0,0,0,0,0,0|3,0,1]=4 199 B10R1.66 O=C([O-])CSc1ncns1 62a_100000693119_100020667443 [0,0,0,0,0,0|2,0,2]=4 200 B10R1.66 O=C([O-])CSc1ncns1 62a_100020667443_100000693119 [0,0,0,0,0,0|2,0,2]=4 201 B10R1.66 O=[N+]([O-])CSc1c[nH]cn1 62a_100000756875_100000761209 [0,0,0,0,0,0|2,0,1]=3 202 B10R1.66 O=[N+]([O-])CSc1c[nH]nn1 62a_100009819707_100000761209 [0,0,0,0,0,0|3,0,1]=4 203 B10R1.66 O=[N+]([O-])CSc1cscn1 62a_100000751502_100000761209 [0,0,0,0,0,0|3,0,1]=4 204 B10R1.66 O=[N+]([O-])CSc1nc[nH]n1 62a_100000761765_100000761209 [0,0,0,0,0,0|3,0,1]=4 205 B10R1.66 [13CH3]C(=O)C=Cc1c[nH]cn1 1458a_100102678534_200025704644 [0,0,0,0,0,0|1,0,2]=3 206 B10R1.66 [13CH3]C(=O)C=Cc1cscn1 1458a_200000747928_200025704644 [0,0,0,0,0,0|2,0,2]=4 207 B10R1.66 [13CH3]C(=O)CCc1cc[nH]c1 1458a_200000093579_200025704644 [0,0,0,0,0,0|2,0,0]=2 208 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [0,0,0,0,0,0|2,0,1]=3 209 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [0,0,0,0,0,0|3,0,0]=3 210 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [0,0,0,0,0,0|3,0,0]=3 211 B10R1.66 [13CH3]C(=O)CCc1ccsc1 1458a_100000195497_200025704644 [0,0,0,0,0,0|3,0,0]=3 212 B10R1.66 [13CH3]C(=O)CCc1cnc[nH]1 1458a_100000044180_200025704644 [0,0,0,0,0,0|1,0,2]=3 213 B10R1.66 [13CH3]C(=O)CCc1cncs1 1458a_100012184922_200025704644 [0,0,0,0,0,0|2,0,1]=3 214 B10R1.66 [13CH3]C(=O)CCc1ncc[nH]1 1458a_100000722789_200025704644 [0,0,0,0,0,0|3,0,0]=3 215 B10R1.66 [13CH3]C(=O)CCc1nccs1 1458a_100000742873_200025704644 [0,0,0,0,0,0|3,0,0]=3 216 B10R1.66 [13CH3]C(=O)CCn1cccc1 1458a_100011196273_200025704644 [0,0,0,0,0,0|4,0,0]=4 217 B10R1.66 [13CH3]C(=O)CCn1cccn1 1458a_100000242649_200025704644 [0,0,0,0,0,0|3,0,0]=3 218 B10R1.66 [13CH3]C(=O)CCn1ccnc1 1458a_100000176952_200025704644 [0,0,0,0,0,0|3,0,1]=4 219 B10R1.66 [13CH3]C(=O)CCn1ccnn1 1458a_100000741450_200025704644 [0,0,0,0,0,0|4,0,0]=4 220 B10R1.66 [13CH3]C(=O)CCn1cncn1 1458a_100000242768_200025704644 [0,0,0,0,0,0|2,0,1]=3 221 B10R1.66 [13CH3]C(=O)CCn1cnnn1 1458a_100000724085_200025704644 [0,0,0,0,0,0|3,0,1]=4 222 B9R1.12 C#CCSc1c[nH]cn1 62a_100000038162_100000756875 [1,0,0,0,0,0|2,0,1]=4 223 B9R1.12 C=CCSc1c[nH]cn1 62a_100000210623_100000756875 [1,0,0,0,0,0|2,0,0]=3 224 B9R1.12 C=CCSc1c[nH]cn1 62a_100000756875_100000210623 [1,0,0,0,0,0|2,0,0]=3 225 B9R1.12 C=CCSc1c[nH]nn1 62a_100000210623_100009819707 [1,0,0,0,0,0|3,0,0]=4 226 B9R1.12 C=CCSc1c[nH]nn1 62a_100009819707_100000210623 [1,0,0,0,0,0|3,0,0]=4 227 B9R1.12 C=CCSc1cscn1 62a_100000210623_100000751502 [1,0,0,0,0,0|3,0,0]=4 228 B9R1.12 C=CCSc1cscn1 62a_100000751502_100000210623 [1,0,0,0,0,0|3,0,0]=4 229 B9R1.12 C=CCSc1nc[nH]n1 62a_100000210623_100000761765 [1,0,0,0,0,0|3,0,0]=4 230 B9R1.12 C=CCSc1nc[nH]n1 62a_100000761765_100000210623 [1,0,0,0,0,0|3,0,0]=4 231 B9R1.12 CCCCc1c[nH]cn1 271570a_100020621405_100000756875 [1,0,0,0,0,0|1,0,1]=3 232 B9R1.12 CCCCc1cscn1 271570a_100020621405_100000751502 [1,0,0,0,0,0|2,0,1]=4 233 B9R1.12 CCCCc1nc[nH]n1 271570a_100020621405_100000761765 [1,0,0,0,0,0|2,0,1]=4 234 B9R1.12 CCCSc1c[nH]cn1 62a_100000210303_100000756875 [1,0,0,0,0,0|2,0,1]=4 235 B9R1.12 CCCSc1c[nH]cn1 62a_100000756875_100000210303 [1,0,0,0,0,0|2,0,1]=4 236 B9R1.12 CCNCc1c[nH]cn1 2230a_100015525214_100000707719 [1,0,0,0,0,0|2,0,1]=4 237 B9R1.12 CCOCc1c[nH]cn1 34a_100121572206_100000707719 [1,0,0,0,0,0|2,0,1]=4 238 B9R1.12 CCSCc1c[nH]cn1 62a_100000210202_100000707719 [1,0,0,0,0,0|2,0,1]=4 239 B9R1.12 CCSCc1c[nH]cn1 62a_100000707719_100000210202 [1,0,0,0,0,0|2,0,1]=4 240 B9R1.12 CNCCc1c[nH]cn1 2230a_106832991635_100020628418 [1,0,0,0,0,0|2,0,0]=3 241 B9R1.12 CNCCc1c[nH]cn1 7a_106832991635_100020628418 [1,0,0,0,0,0|2,0,0]=3 242 B9R1.12 COCSc1c[nH]cn1 62a_100000756875_100000766300 [1,0,0,0,0,0|3,0,0]=4 243 B9R1.12 COCSc1c[nH]cn1 62a_100000766300_100000756875 [1,0,0,0,0,0|3,0,0]=4 244 B9R1.12 CSCCc1c[nH]cn1 62a_100020628418_200000210301 [1,0,0,0,0,0|2,0,0]=3 245 B9R1.12 CSCCc1c[nH]cn1 62a_200000210301_100020628418 [1,0,0,0,0,0|2,0,0]=3 246 B9R1.12 CSCSc1c[nH]cn1 62a_100000756875_100011218213 [1,0,0,0,0,0|3,0,0]=4 247 B9R1.12 CSCSc1c[nH]cn1 62a_100011218213_100000756875 [1,0,0,0,0,0|3,0,0]=4 248 B9R1.12 FCCSc1c[nH]cn1 62a_100000756875_100011217306 [1,0,0,0,0,0|2,0,1]=4 249 B9R1.12 FCCSc1c[nH]cn1 62a_100011217306_100000756875 [1,0,0,0,0,0|2,0,1]=4 250 B9R1.12 FCSCc1c[nH]cn1 62a_100000707719_100015361967 [1,0,0,0,0,0|2,0,1]=4 251 B9R1.12 FCSCc1c[nH]cn1 62a_100015361967_100000707719 [1,0,0,0,0,0|2,0,1]=4 252 B9R1.12 N#CCSc1c[nH]cn1 62a_100000756875_100011215382 [1,0,0,0,0,0|2,0,1]=4 253 B9R1.12 N#CCSc1c[nH]cn1 62a_100011215382_100000756875 [1,0,0,0,0,0|2,0,1]=4 254 B9R1.12 O=CCOc1ccsc1 34a_100000106738_200009817547 [1,0,0,0,0,0|3,0,0]=4 255 B9R1.12 O=CCOc1ccsc1 7a_100000106738_200015260668 [1,0,0,0,0,0|3,0,0]=4 256 B9R1.12 O=CCSc1c[nH]cn1 62a_100000756875_200015260668 [1,0,0,0,0,0|1,0,0]=2 257 B9R1.12 O=CCSc1c[nH]cn1 62a_200015260668_100000756875 [1,0,0,0,0,0|1,0,0]=2 258 B9R1.12 O=CCSc1c[nH]nn1 62a_100009819707_200015260668 [1,0,0,0,0,0|2,0,0]=3 259 B9R1.12 O=CCSc1c[nH]nn1 62a_200015260668_100009819707 [1,0,0,0,0,0|2,0,0]=3 260 B9R1.12 O=CCSc1cc[nH]n1 62a_100000062575_200015260668 [1,0,0,0,0,0|3,0,0]=4 261 B9R1.12 O=CCSc1cc[nH]n1 62a_200015260668_100000062575 [1,0,0,0,0,0|3,0,0]=4 262 B9R1.12 O=CCSc1ccco1 62a_100009814098_200015260668 [1,0,0,0,0,0|3,0,0]=4 263 B9R1.12 O=CCSc1ccco1 62a_200015260668_100009814098 [1,0,0,0,0,0|3,0,0]=4 264 B9R1.12 O=CCSc1cccs1 62a_100011215356_200015260668 [1,0,0,0,0,0|3,0,0]=4 265 B9R1.12 O=CCSc1cccs1 62a_200015260668_100011215356 [1,0,0,0,0,0|3,0,0]=4 266 B9R1.12 O=CCSc1ccoc1 62a_100011215275_200015260668 [1,0,0,0,0,0|3,0,0]=4 267 B9R1.12 O=CCSc1ccoc1 62a_200015260668_100011215275 [1,0,0,0,0,0|3,0,0]=4 268 B9R1.12 O=CCSc1ccon1 62a_100009818083_200015260668 [1,0,0,0,0,0|3,0,0]=4 269 B9R1.12 O=CCSc1ccon1 62a_200015260668_100009818083 [1,0,0,0,0,0|3,0,0]=4 270 B9R1.12 O=CCSc1ccsc1 62a_100000738268_200015260668 [1,0,0,0,0,0|3,0,0]=4 271 B9R1.12 O=CCSc1ccsc1 62a_200015260668_100000738268 [1,0,0,0,0,0|3,0,0]=4 272 B9R1.12 O=CCSc1ccsn1 62a_100009818082_200015260668 [1,0,0,0,0,0|3,0,0]=4 273 B9R1.12 O=CCSc1ccsn1 62a_200015260668_100009818082 [1,0,0,0,0,0|3,0,0]=4 274 B9R1.12 O=CCSc1cn[nH]c1 62a_100000238712_200015260668 [1,0,0,0,0,0|3,0,0]=4 275 B9R1.12 O=CCSc1cn[nH]c1 62a_200015260668_100000238712 [1,0,0,0,0,0|3,0,0]=4 276 B9R1.12 O=CCSc1cnco1 62a_100020591547_200015260668 [1,0,0,0,0,0|2,0,1]=4 277 B9R1.12 O=CCSc1cnco1 62a_200015260668_100020591547 [1,0,0,0,0,0|2,0,1]=4 278 B9R1.12 O=CCSc1cncs1 62a_100011934649_200015260668 [1,0,0,0,0,0|2,0,1]=4 279 B9R1.12 O=CCSc1cncs1 62a_200015260668_100011934649 [1,0,0,0,0,0|2,0,1]=4 280 B9R1.12 O=CCSc1cscn1 62a_100000751502_200015260668 [1,0,0,0,0,0|2,0,0]=3 281 B9R1.12 O=CCSc1cscn1 62a_200015260668_100000751502 [1,0,0,0,0,0|2,0,0]=3 282 B9R1.12 O=CCSc1nc[nH]n1 62a_100000761765_200015260668 [1,0,0,0,0,0|2,0,0]=3 283 B9R1.12 O=CCSc1nc[nH]n1 62a_200015260668_100000761765 [1,0,0,0,0,0|2,0,0]=3 284 B9R1.12 O=CCSc1ncc[nH]1 62a_100025796157_200015260668 [1,0,0,0,0,0|3,0,0]=4 285 B9R1.12 O=CCSc1ncc[nH]1 62a_200015260668_100025796157 [1,0,0,0,0,0|3,0,0]=4 286 B9R1.12 O=CCSc1ncco1 62a_100011787736_200015260668 [1,0,0,0,0,0|3,0,0]=4 287 B9R1.12 O=CCSc1ncco1 62a_200015260668_100011787736 [1,0,0,0,0,0|3,0,0]=4 288 B9R1.12 O=CCSc1nccs1 62a_100000211983_200015260668 [1,0,0,0,0,0|3,0,0]=4 289 B9R1.12 O=CCSc1nccs1 62a_200015260668_100000211983 [1,0,0,0,0,0|3,0,0]=4 290 B9R1.12 O=CCSc1ncns1 62a_100000693119_200015260668 [1,0,0,0,0,0|2,0,1]=4 291 B9R1.12 O=CCSc1ncns1 62a_200015260668_100000693119 [1,0,0,0,0,0|2,0,1]=4 292 B9R1.12 OCCSc1c[nH]cn1 62a_100000211926_100000756875 [1,0,0,0,0,0|1,0,1]=3 293 B9R1.12 OCCSc1c[nH]cn1 62a_100000756875_100000211926 [1,0,0,0,0,0|1,0,1]=3 294 B9R1.12 OCCSc1c[nH]nn1 62a_100000211926_100009819707 [1,0,0,0,0,0|2,0,1]=4 295 B9R1.12 OCCSc1c[nH]nn1 62a_100009819707_100000211926 [1,0,0,0,0,0|2,0,1]=4 296 B9R1.12 OCCSc1cscn1 62a_100000211926_100000751502 [1,0,0,0,0,0|2,0,1]=4 297 B9R1.12 OCCSc1cscn1 62a_100000751502_100000211926 [1,0,0,0,0,0|2,0,1]=4 298 B9R1.12 OCCSc1nc[nH]n1 62a_100000211926_100000761765 [1,0,0,0,0,0|2,0,1]=4 299 B9R1.12 OCCSc1nc[nH]n1 62a_100000761765_100000211926 [1,0,0,0,0,0|2,0,1]=4 300 B9R1.12 [13CH3]SCCc1c[nH]cn1 62a_100020628418_200025704644 [1,0,0,0,0,0|2,0,0]=3 301 B9R1.12 [13CH3]SCCc1c[nH]cn1 62a_200025704644_100020628418 [1,0,0,0,0,0|2,0,0]=3 302 B11R1.25 C#CC(=O)CCc1c[nH]cn1 1458a_100000211873_100020628418 [0,1,0,0,0,0|1,0,0]=2 303 B11R1.25 C#CC(=O)CCc1cccs1 1458a_100000211873_100000748579 [0,1,0,0,0,0|3,0,0]=4 304 B11R1.25 C#CC(=O)CCc1cn[nH]c1 1458a_100000211873_100000743252 [0,1,0,0,0,0|3,0,0]=4 305 B11R1.25 C#CC(=O)CCn1cccn1 1458a_100000211873_100000685285 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.25 C#CC(=O)CCn1cncn1 1458a_100000211873_100000731791 [0,1,0,0,0,0|2,0,1]=4 307 B11R1.25 C=C(C#N)CSc1c[nH]cn1 62a_100000756875_100000694840 [0,1,0,0,0,0|3,0,0]=4 308 B11R1.25 C=CC(=O)CCc1c[nH]cn1 1458a_100000185746_100020628418 [0,1,0,0,0,0|1,0,0]=2 309 B11R1.25 C=CC(=O)CCc1cccs1 1458a_100000185746_100000748579 [0,1,0,0,0,0|3,0,0]=4 310 B11R1.25 C=CC(=O)CCc1cn[nH]c1 1458a_100000185746_100000743252 [0,1,0,0,0,0|3,0,0]=4 311 B11R1.25 C=CC(=O)CCn1cccn1 1458a_100000185746_100000685285 [0,1,0,0,0,0|3,0,0]=4 312 B11R1.25 C=CC(=O)CCn1cncn1 1458a_100000185746_100000731791 [0,1,0,0,0,0|2,0,1]=4 313 B11R1.25 C=CC(=O)NCc1c[nH]cn1 240690a_100000758547_200121576911 [0,1,0,0,0,0|2,0,0]=3 314 B11R1.25 C=CC(=O)NCc1c[nH]nn1 240690a_100020620823_200121576911 [0,1,0,0,0,0|3,0,0]=4 315 B11R1.25 C=CC(=O)NCc1cocn1 240690a_100015188801_200121576911 [0,1,0,0,0,0|3,0,0]=4 316 B11R1.25 C=CC(=O)NCc1cscn1 1626a_100015185402_100000185746 [0,1,0,0,0,0|3,0,0]=4 317 B11R1.25 C=CC(=O)NCc1cscn1 240690a_100015185402_200121576911 [0,1,0,0,0,0|3,0,0]=4 318 B11R1.25 C=CC(O)CSc1c[nH]cn1 62a_100000730141_100000756875 [0,1,0,0,0,0|2,0,1]=4 319 B11R1.25 C=CC(O)CSc1c[nH]cn1 62a_100000756875_100000730141 [0,1,0,0,0,0|2,0,1]=4 320 B11R1.25 CC(CO)SCc1c[nH]cn1 62a_100012180447_100000707719 [0,1,0,0,0,0|2,0,1]=4 321 B11R1.25 CCC(=O)C=Cc1c[nH]cn1 1458a_100102678534_100000210202 [0,1,0,0,0,0|1,0,2]=4 322 B11R1.25 CCC(=O)CCc1c[nH]cn1 1458a_100000210414_100020628418 [0,1,0,0,0,0|1,0,0]=2 323 B11R1.25 CCC(=O)CCc1cc[nH]c1 1458a_200000093579_100000210202 [0,1,0,0,0,0|2,0,0]=3 324 B11R1.25 CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210202 [0,1,0,0,0,0|2,0,1]=4 325 B11R1.25 CCC(=O)CCc1ccco1 1458a_100000185103_100000210202 [0,1,0,0,0,0|3,0,0]=4 326 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000185280_100000210202 [0,1,0,0,0,0|3,0,0]=4 327 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000210414_100000748579 [0,1,0,0,0,0|3,0,0]=4 328 B11R1.25 CCC(=O)CCc1ccsc1 1458a_100000195497_100000210202 [0,1,0,0,0,0|3,0,0]=4 329 B11R1.25 CCC(=O)CCc1cn[nH]c1 1458a_100000210414_100000743252 [0,1,0,0,0,0|3,0,0]=4 330 B11R1.25 CCC(=O)CCc1cnc[nH]1 1458a_100000044180_100000210202 [0,1,0,0,0,0|1,0,2]=4 331 B11R1.25 CCC(=O)CCc1cncs1 1458a_100012184922_100000210202 [0,1,0,0,0,0|2,0,1]=4 332 B11R1.25 CCC(=O)CCc1ncc[nH]1 1458a_100000722789_100000210202 [0,1,0,0,0,0|3,0,0]=4 333 B11R1.25 CCC(=O)CCc1nccs1 1458a_100000742873_100000210202 [0,1,0,0,0,0|3,0,0]=4 334 B11R1.25 CCC(=O)CCn1cccn1 1458a_100000210414_100000685285 [0,1,0,0,0,0|3,0,0]=4 335 B11R1.25 CCC(=O)CCn1cccn1 1458a_100000242649_100000210202 [0,1,0,0,0,0|3,0,0]=4 336 B11R1.25 CCC(=O)CCn1cncn1 1458a_100000210414_100000731791 [0,1,0,0,0,0|2,0,1]=4 337 B11R1.25 CCC(=O)CCn1cncn1 1458a_100000242768_100000210202 [0,1,0,0,0,0|2,0,1]=4 338 B11R1.25 CCC(=O)CSc1c[nH]cn1 62a_100000747405_100000756875 [0,1,0,0,0,0|2,0,0]=3 339 B11R1.25 CCC(=O)CSc1c[nH]cn1 62a_100000756875_100000747405 [0,1,0,0,0,0|2,0,0]=3 340 B11R1.25 CCC(=O)CSc1c[nH]nn1 62a_100000747405_100009819707 [0,1,0,0,0,0|3,0,0]=4 341 B11R1.25 CCC(=O)CSc1c[nH]nn1 62a_100009819707_100000747405 [0,1,0,0,0,0|3,0,0]=4 342 B11R1.25 CCC(=O)CSc1cscn1 62a_100000747405_100000751502 [0,1,0,0,0,0|3,0,0]=4 343 B11R1.25 CCC(=O)CSc1cscn1 62a_100000751502_100000747405 [0,1,0,0,0,0|3,0,0]=4 344 B11R1.25 CCC(=O)CSc1nc[nH]n1 62a_100000747405_100000761765 [0,1,0,0,0,0|3,0,0]=4 345 B11R1.25 CCC(=O)CSc1nc[nH]n1 62a_100000761765_100000747405 [0,1,0,0,0,0|3,0,0]=4 346 B11R1.25 CCC(=O)NCc1c[nH]cn1 11a_100000758547_100000210414 [0,1,0,0,0,0|2,0,0]=3 347 B11R1.25 CCC(=O)NCc1c[nH]cn1 240690a_100000758547_100000210414 [0,1,0,0,0,0|2,0,0]=3 348 B11R1.25 CCC(=O)NCc1c[nH]cn1 527a_100000758547_100000210414 [0,1,0,0,0,0|2,0,0]=3 349 B11R1.25 CCC(=O)NCc1c[nH]nn1 11a_100020620823_100000210414 [0,1,0,0,0,0|3,0,0]=4 350 B11R1.25 CCC(=O)NCc1c[nH]nn1 240690a_100020620823_100000210414 [0,1,0,0,0,0|3,0,0]=4 351 B11R1.25 CCC(=O)NCc1c[nH]nn1 527a_100020620823_100000210414 [0,1,0,0,0,0|3,0,0]=4 352 B11R1.25 CCC(=O)NCc1cocn1 11a_100015188801_100000210414 [0,1,0,0,0,0|3,0,0]=4 353 B11R1.25 CCC(=O)NCc1cocn1 240690a_100015188801_100000210414 [0,1,0,0,0,0|3,0,0]=4 354 B11R1.25 CCC(=O)NCc1cocn1 527a_100015188801_100000210414 [0,1,0,0,0,0|3,0,0]=4 355 B11R1.25 CCC(=O)NCc1cscn1 11a_100015185402_100000210414 [0,1,0,0,0,0|3,0,0]=4 356 B11R1.25 CCC(=O)NCc1cscn1 1626a_100015185402_100000210414 [0,1,0,0,0,0|3,0,0]=4 357 B11R1.25 CCC(=O)NCc1cscn1 240690a_100015185402_100000210414 [0,1,0,0,0,0|3,0,0]=4 358 B11R1.25 CCC(=O)NCc1cscn1 527a_100015185402_100000210414 [0,1,0,0,0,0|3,0,0]=4 359 B11R1.25 CCC(O)CSc1c[nH]cn1 62a_100000756875_100011218378 [0,1,0,0,0,0|2,0,1]=4 360 B11R1.25 CCC(O)CSc1c[nH]cn1 62a_100011218378_100000756875 [0,1,0,0,0,0|2,0,1]=4 361 B11R1.25 CCN(C)CCc1c[nH]cn1 2230a_100000225621_100020628418 [0,1,0,0,0,0|3,0,0]=4 362 B11R1.25 CCN(C)CCc1c[nH]cn1 269982a_100000225621_100020628418 [0,1,0,0,0,0|3,0,0]=4 363 B11R1.25 CNC(=O)C=Cc1c[nH]cn1 240690a_100102657272_100102678534 [0,1,0,0,0,0|1,0,2]=4 364 B11R1.25 CNC(=O)CCc1cc[nH]c1 11a_106832991635_200000093579 [0,1,0,0,0,0|2,0,0]=3 365 B11R1.25 CNC(=O)CCc1cc[nH]c1 240690a_100102657272_200000093579 [0,1,0,0,0,0|2,0,0]=3 366 B11R1.25 CNC(=O)CCc1cc[nH]c1 527a_100102657272_200000093579 [0,1,0,0,0,0|2,0,0]=3 367 B11R1.25 CNC(=O)CCc1ccc[nH]1 11a_106832991635_200011998680 [0,1,0,0,0,0|2,0,1]=4 368 B11R1.25 CNC(=O)CCc1ccc[nH]1 240690a_100102657272_200011998680 [0,1,0,0,0,0|2,0,1]=4 369 B11R1.25 CNC(=O)CCc1ccc[nH]1 527a_100102657272_200011998680 [0,1,0,0,0,0|2,0,1]=4 370 B11R1.25 CNC(=O)CCc1ccco1 11a_106832991635_100000185103 [0,1,0,0,0,0|3,0,0]=4 371 B11R1.25 CNC(=O)CCc1ccco1 1626a_100102657272_100000185103 [0,1,0,0,0,0|3,0,0]=4 372 B11R1.25 CNC(=O)CCc1ccco1 527a_100102657272_100000185103 [0,1,0,0,0,0|3,0,0]=4 373 B11R1.25 CNC(=O)CCc1cccs1 11a_106832991635_100000185280 [0,1,0,0,0,0|3,0,0]=4 374 B11R1.25 CNC(=O)CCc1cccs1 1626a_100102657272_100000185280 [0,1,0,0,0,0|3,0,0]=4 375 B11R1.25 CNC(=O)CCc1cccs1 240690a_100102657272_100000185280 [0,1,0,0,0,0|3,0,0]=4 376 B11R1.25 CNC(=O)CCc1cccs1 527a_100102657272_100000185280 [0,1,0,0,0,0|3,0,0]=4 377 B11R1.25 CNC(=O)CCc1ccsc1 11a_106832991635_100000195497 [0,1,0,0,0,0|3,0,0]=4 378 B11R1.25 CNC(=O)CCc1ccsc1 1626a_100102657272_100000195497 [0,1,0,0,0,0|3,0,0]=4 379 B11R1.25 CNC(=O)CCc1ccsc1 240690a_100102657272_100000195497 [0,1,0,0,0,0|3,0,0]=4 380 B11R1.25 CNC(=O)CCc1ccsc1 527a_100102657272_100000195497 [0,1,0,0,0,0|3,0,0]=4 381 B11R1.25 CNC(=O)CCc1cnc[nH]1 240690a_100102657272_100000044180 [0,1,0,0,0,0|1,0,2]=4 382 B11R1.25 CNC(=O)CCc1cnc[nH]1 527a_100102657272_100000044180 [0,1,0,0,0,0|1,0,2]=4 383 B11R1.25 CNC(=O)CCc1cncs1 11a_106832991635_100012184922 [0,1,0,0,0,0|2,0,1]=4 384 B11R1.25 CNC(=O)CCc1cncs1 1626a_100102657272_100012184922 [0,1,0,0,0,0|2,0,1]=4 385 B11R1.25 CNC(=O)CCc1cncs1 240690a_100102657272_100012184922 [0,1,0,0,0,0|2,0,1]=4 386 B11R1.25 CNC(=O)CCc1cncs1 527a_100102657272_100012184922 [0,1,0,0,0,0|2,0,1]=4 387 B11R1.25 CNC(=O)CCc1ncc[nH]1 240690a_100102657272_100000722789 [0,1,0,0,0,0|3,0,0]=4 388 B11R1.25 CNC(=O)CCc1ncc[nH]1 527a_100102657272_100000722789 [0,1,0,0,0,0|3,0,0]=4 389 B11R1.25 CNC(=O)CCc1nccs1 11a_106832991635_100000742873 [0,1,0,0,0,0|3,0,0]=4 390 B11R1.25 CNC(=O)CCc1nccs1 1626a_100102657272_100000742873 [0,1,0,0,0,0|3,0,0]=4 391 B11R1.25 CNC(=O)CCc1nccs1 240690a_100102657272_100000742873 [0,1,0,0,0,0|3,0,0]=4 392 B11R1.25 CNC(=O)CCc1nccs1 527a_100102657272_100000742873 [0,1,0,0,0,0|3,0,0]=4 393 B11R1.25 CNC(=O)CCn1cccn1 11a_106832991635_100000242649 [0,1,0,0,0,0|3,0,0]=4 394 B11R1.25 CNC(=O)CCn1cccn1 1626a_100102657272_100000242649 [0,1,0,0,0,0|3,0,0]=4 395 B11R1.25 CNC(=O)CCn1cccn1 240690a_100102657272_100000242649 [0,1,0,0,0,0|3,0,0]=4 396 B11R1.25 CNC(=O)CCn1cccn1 527a_100102657272_100000242649 [0,1,0,0,0,0|3,0,0]=4 397 B11R1.25 CNC(=O)CCn1cncn1 11a_106832991635_100000242768 [0,1,0,0,0,0|2,0,1]=4 398 B11R1.25 CNC(=O)CCn1cncn1 1626a_100102657272_100000242768 [0,1,0,0,0,0|2,0,1]=4 399 B11R1.25 CNC(=O)CCn1cncn1 240690a_100102657272_100000242768 [0,1,0,0,0,0|2,0,1]=4 400 B11R1.25 CNC(=O)CCn1cncn1 527a_100102657272_100000242768 [0,1,0,0,0,0|2,0,1]=4 401 B11R1.25 CNC(=O)CSc1c[nH]cn1 62a_100000183359_100000756875 [0,1,0,0,0,0|2,0,0]=3 402 B11R1.25 CNC(=O)CSc1c[nH]cn1 62a_100000756875_100000183359 [0,1,0,0,0,0|2,0,0]=3 403 B11R1.25 CNC(=O)CSc1c[nH]nn1 62a_100000183359_100009819707 [0,1,0,0,0,0|3,0,0]=4 404 B11R1.25 CNC(=O)CSc1c[nH]nn1 62a_100009819707_100000183359 [0,1,0,0,0,0|3,0,0]=4 405 B11R1.25 CNC(=O)CSc1cscn1 62a_100000183359_100000751502 [0,1,0,0,0,0|3,0,0]=4 406 B11R1.25 CNC(=O)CSc1cscn1 62a_100000751502_100000183359 [0,1,0,0,0,0|3,0,0]=4 407 B11R1.25 CNC(=O)CSc1nc[nH]n1 62a_100000183359_100000761765 [0,1,0,0,0,0|3,0,0]=4 408 B11R1.25 CNC(=O)CSc1nc[nH]n1 62a_100000761765_100000183359 [0,1,0,0,0,0|3,0,0]=4 409 B11R1.25 CNC(=O)NCc1c[nH]cn1 2708a_100000758547_106832991635 [0,1,0,0,0,0|2,0,0]=3 410 B11R1.25 CNC(=O)NCc1c[nH]cn1 2708a_100102657272_100000758547 [0,1,0,0,0,0|2,0,0]=3 411 B11R1.25 CNC(=O)NCc1c[nH]cn1 273464a_100000758547_100102657272 [0,1,0,0,0,0|2,0,0]=3 412 B11R1.25 CNC(=O)NCc1c[nH]cn1 273464a_100102657272_100000758547 [0,1,0,0,0,0|2,0,0]=3 413 B11R1.25 CNC(=O)NCc1c[nH]cn1 512a_100000758547_100102657272 [0,1,0,0,0,0|2,0,0]=3 414 B11R1.25 CNC(=O)NCc1c[nH]cn1 512a_106832991638_100000758547 [0,1,0,0,0,0|2,0,0]=3 415 B11R1.25 CNC(=O)NCc1c[nH]nn1 2708a_100020620823_106832991635 [0,1,0,0,0,0|3,0,0]=4 416 B11R1.25 CNC(=O)NCc1c[nH]nn1 2708a_100102657272_100020620823 [0,1,0,0,0,0|3,0,0]=4 417 B11R1.25 CNC(=O)NCc1c[nH]nn1 273464a_100020620823_100102657272 [0,1,0,0,0,0|3,0,0]=4 418 B11R1.25 CNC(=O)NCc1c[nH]nn1 273464a_100102657272_100020620823 [0,1,0,0,0,0|3,0,0]=4 419 B11R1.25 CNC(=O)NCc1c[nH]nn1 512a_100020620823_100102657272 [0,1,0,0,0,0|3,0,0]=4 420 B11R1.25 CNC(=O)NCc1c[nH]nn1 512a_106832991638_100020620823 [0,1,0,0,0,0|3,0,0]=4 421 B11R1.25 CNC(=O)NCc1cocn1 2708a_100015188801_106832991635 [0,1,0,0,0,0|3,0,0]=4 422 B11R1.25 CNC(=O)NCc1cocn1 2708a_100102657272_100015188801 [0,1,0,0,0,0|3,0,0]=4 423 B11R1.25 CNC(=O)NCc1cocn1 273464a_100015188801_100102657272 [0,1,0,0,0,0|3,0,0]=4 424 B11R1.25 CNC(=O)NCc1cocn1 273464a_100102657272_100015188801 [0,1,0,0,0,0|3,0,0]=4 425 B11R1.25 CNC(=O)NCc1cocn1 512a_100015188801_100102657272 [0,1,0,0,0,0|3,0,0]=4 426 B11R1.25 CNC(=O)NCc1cocn1 512a_106832991638_100015188801 [0,1,0,0,0,0|3,0,0]=4 427 B11R1.25 CNC(=O)NCc1cscn1 2708a_100015185402_106832991635 [0,1,0,0,0,0|3,0,0]=4 428 B11R1.25 CNC(=O)NCc1cscn1 2708a_100102657272_100015185402 [0,1,0,0,0,0|3,0,0]=4 429 B11R1.25 CNC(=O)NCc1cscn1 273464a_100015185402_100102657272 [0,1,0,0,0,0|3,0,0]=4 430 B11R1.25 CNC(=O)NCc1cscn1 273464a_100102657272_100015185402 [0,1,0,0,0,0|3,0,0]=4 431 B11R1.25 CNC(=O)NCc1cscn1 512a_100015185402_100102657272 [0,1,0,0,0,0|3,0,0]=4 432 B11R1.25 CNC(=O)NCc1cscn1 512a_106832991638_100015185402 [0,1,0,0,0,0|3,0,0]=4 433 B11R1.25 COC(=O)COc1ccsc1 34a_100000106738_100000747449 [0,1,0,0,0,0|3,0,0]=4 434 B11R1.25 COC(=O)COc1ccsc1 7a_100000106738_100000747449 [0,1,0,0,0,0|3,0,0]=4 435 B11R1.25 COC(=O)CSc1c[nH]cn1 62a_100000747449_100000756875 [0,1,0,0,0,0|1,0,0]=2 436 B11R1.25 COC(=O)CSc1c[nH]cn1 62a_100000756875_100000747449 [0,1,0,0,0,0|1,0,0]=2 437 B11R1.25 COC(=O)CSc1c[nH]nn1 62a_100000747449_100009819707 [0,1,0,0,0,0|2,0,0]=3 438 B11R1.25 COC(=O)CSc1c[nH]nn1 62a_100009819707_100000747449 [0,1,0,0,0,0|2,0,0]=3 439 B11R1.25 COC(=O)CSc1cc[nH]n1 62a_100000062575_100000747449 [0,1,0,0,0,0|3,0,0]=4 440 B11R1.25 COC(=O)CSc1cc[nH]n1 62a_100000747449_100000062575 [0,1,0,0,0,0|3,0,0]=4 441 B11R1.25 COC(=O)CSc1ccco1 62a_100000747449_100009814098 [0,1,0,0,0,0|3,0,0]=4 442 B11R1.25 COC(=O)CSc1ccco1 62a_100009814098_100000747449 [0,1,0,0,0,0|3,0,0]=4 443 B11R1.25 COC(=O)CSc1cccs1 62a_100000747449_100011215356 [0,1,0,0,0,0|3,0,0]=4 444 B11R1.25 COC(=O)CSc1cccs1 62a_100011215356_100000747449 [0,1,0,0,0,0|3,0,0]=4 445 B11R1.25 COC(=O)CSc1ccoc1 62a_100000747449_100011215275 [0,1,0,0,0,0|3,0,0]=4 446 B11R1.25 COC(=O)CSc1ccoc1 62a_100011215275_100000747449 [0,1,0,0,0,0|3,0,0]=4 447 B11R1.25 COC(=O)CSc1ccon1 62a_100000747449_100009818083 [0,1,0,0,0,0|3,0,0]=4 448 B11R1.25 COC(=O)CSc1ccon1 62a_100009818083_100000747449 [0,1,0,0,0,0|3,0,0]=4 449 B11R1.25 COC(=O)CSc1ccsc1 62a_100000738268_100000747449 [0,1,0,0,0,0|3,0,0]=4 450 B11R1.25 COC(=O)CSc1ccsc1 62a_100000747449_100000738268 [0,1,0,0,0,0|3,0,0]=4 451 B11R1.25 COC(=O)CSc1ccsn1 62a_100000747449_100009818082 [0,1,0,0,0,0|3,0,0]=4 452 B11R1.25 COC(=O)CSc1ccsn1 62a_100009818082_100000747449 [0,1,0,0,0,0|3,0,0]=4 453 B11R1.25 COC(=O)CSc1cn[nH]c1 62a_100000238712_100000747449 [0,1,0,0,0,0|3,0,0]=4 454 B11R1.25 COC(=O)CSc1cn[nH]c1 62a_100000747449_100000238712 [0,1,0,0,0,0|3,0,0]=4 455 B11R1.25 COC(=O)CSc1cnco1 62a_100000747449_100020591547 [0,1,0,0,0,0|2,0,1]=4 456 B11R1.25 COC(=O)CSc1cnco1 62a_100020591547_100000747449 [0,1,0,0,0,0|2,0,1]=4 457 B11R1.25 COC(=O)CSc1cncs1 62a_100000747449_100011934649 [0,1,0,0,0,0|2,0,1]=4 458 B11R1.25 COC(=O)CSc1cncs1 62a_100011934649_100000747449 [0,1,0,0,0,0|2,0,1]=4 459 B11R1.25 COC(=O)CSc1cscn1 62a_100000747449_100000751502 [0,1,0,0,0,0|2,0,0]=3 460 B11R1.25 COC(=O)CSc1cscn1 62a_100000751502_100000747449 [0,1,0,0,0,0|2,0,0]=3 461 B11R1.25 COC(=O)CSc1nc[nH]n1 62a_100000747449_100000761765 [0,1,0,0,0,0|2,0,0]=3 462 B11R1.25 COC(=O)CSc1nc[nH]n1 62a_100000761765_100000747449 [0,1,0,0,0,0|2,0,0]=3 463 B11R1.25 COC(=O)CSc1ncc[nH]1 62a_100000747449_100025796157 [0,1,0,0,0,0|3,0,0]=4 464 B11R1.25 COC(=O)CSc1ncc[nH]1 62a_100025796157_100000747449 [0,1,0,0,0,0|3,0,0]=4 465 B11R1.25 COC(=O)CSc1ncco1 62a_100000747449_100011787736 [0,1,0,0,0,0|3,0,0]=4 466 B11R1.25 COC(=O)CSc1ncco1 62a_100011787736_100000747449 [0,1,0,0,0,0|3,0,0]=4 467 B11R1.25 COC(=O)CSc1nccs1 62a_100000211983_100000747449 [0,1,0,0,0,0|3,0,0]=4 468 B11R1.25 COC(=O)CSc1nccs1 62a_100000747449_100000211983 [0,1,0,0,0,0|3,0,0]=4 469 B11R1.25 COC(=O)CSc1ncns1 62a_100000693119_100000747449 [0,1,0,0,0,0|2,0,1]=4 470 B11R1.25 COC(=O)CSc1ncns1 62a_100000747449_100000693119 [0,1,0,0,0,0|2,0,1]=4 471 B11R1.25 COC(C)SCc1c[nH]cn1 62a_100000707719_100009879195 [0,1,0,0,0,0|2,0,1]=4 472 B11R1.25 COC(C)SCc1c[nH]cn1 62a_100009879195_100000707719 [0,1,0,0,0,0|2,0,1]=4 473 B11R1.25 C[C@@H](CO)CSc1c[nH]cn1 62a_100000059175_100000756875 [0,1,0,0,0,0|2,0,1]=4 474 B11R1.25 C[C@@H](CO)CSc1c[nH]cn1 62a_100000756875_100000059175 [0,1,0,0,0,0|2,0,1]=4 475 B11R1.25 C[C@H](CO)NCc1c[nH]cn1 2230a_100000737577_100000707719 [0,1,0,0,0,0|2,0,1]=4 476 B11R1.25 C[C@H](CO)SCc1c[nH]cn1 62a_100000707719_100016084084 [0,1,0,0,0,0|2,0,1]=4 477 B11R1.25 C[C@H](CO)SCc1c[nH]cn1 62a_100016084084_100000707719 [0,1,0,0,0,0|2,0,1]=4 478 B11R1.25 O=C(C=Cc1c[nH]cn1)CF 1458a_100102678534_100015361967 [0,1,0,0,0,0|1,0,2]=4 479 B11R1.25 O=C(CF)CCc1cc[nH]c1 1458a_200000093579_100015361967 [0,1,0,0,0,0|2,0,0]=3 480 B11R1.25 O=C(CF)CCc1ccc[nH]1 1458a_200011998680_100015361967 [0,1,0,0,0,0|2,0,1]=4 481 B11R1.25 O=C(CF)CCc1ccco1 1458a_100000185103_100015361967 [0,1,0,0,0,0|3,0,0]=4 482 B11R1.25 O=C(CF)CCc1cccs1 1458a_100000185280_100015361967 [0,1,0,0,0,0|3,0,0]=4 483 B11R1.25 O=C(CF)CCc1ccsc1 1458a_100000195497_100015361967 [0,1,0,0,0,0|3,0,0]=4 484 B11R1.25 O=C(CF)CCc1cnc[nH]1 1458a_100000044180_100015361967 [0,1,0,0,0,0|1,0,2]=4 485 B11R1.25 O=C(CF)CCc1cncs1 1458a_100012184922_100015361967 [0,1,0,0,0,0|2,0,1]=4 486 B11R1.25 O=C(CF)CCc1ncc[nH]1 1458a_100000722789_100015361967 [0,1,0,0,0,0|3,0,0]=4 487 B11R1.25 O=C(CF)CCc1nccs1 1458a_100000742873_100015361967 [0,1,0,0,0,0|3,0,0]=4 488 B11R1.25 O=C(CF)CCn1cccn1 1458a_100000242649_100015361967 [0,1,0,0,0,0|3,0,0]=4 489 B11R1.25 O=C(CF)CCn1cncn1 1458a_100000242768_100015361967 [0,1,0,0,0,0|2,0,1]=4 490 B11R1.25 O=C(CO)CCc1c[nH]cn1 1458a_100000210174_100020628418 [0,1,0,0,0,0|0,0,0]=1 491 B11R1.25 O=C(CO)CCc1cccs1 1458a_100000210174_100000748579 [0,1,0,0,0,0|2,0,0]=3 492 B11R1.25 O=C(CO)CCc1cn[nH]c1 1458a_100000210174_100000743252 [0,1,0,0,0,0|2,0,0]=3 493 B11R1.25 O=C(CO)CCc1nnn[nH]1 1458a_100000210174_100000031946 [0,1,0,0,0,0|2,0,1]=4 494 B11R1.25 O=C(CO)CCn1cccc1 1458a_100000210174_200000035178 [0,1,0,0,0,0|3,0,0]=4 495 B11R1.25 O=C(CO)CCn1cccn1 1458a_100000210174_100000685285 [0,1,0,0,0,0|2,0,0]=3 496 B11R1.25 O=C(CO)CCn1ccnc1 1458a_100000210174_100000702546 [0,1,0,0,0,0|2,0,1]=4 497 B11R1.25 O=C(CO)CCn1cncn1 1458a_100000210174_100000731791 [0,1,0,0,0,0|1,0,1]=3 498 B11R1.25 O=C(CO)NCc1c[nH]cn1 240690a_100000758547_100000210174 [0,1,0,0,0,0|1,0,0]=2 499 B11R1.25 O=C(CO)NCc1c[nH]cn1 527a_100000758547_100000210174 [0,1,0,0,0,0|1,0,0]=2 500 B11R1.25 O=C(CO)NCc1c[nH]nn1 240690a_100020620823_100000210174 [0,1,0,0,0,0|2,0,0]=3 501 B11R1.25 O=C(CO)NCc1c[nH]nn1 527a_100020620823_100000210174 [0,1,0,0,0,0|2,0,0]=3 502 B11R1.25 O=C(CO)NCc1cc[nH]n1 240690a_100000739516_100000210174 [0,1,0,0,0,0|3,0,0]=4 503 B11R1.25 O=C(CO)NCc1cc[nH]n1 527a_100000739516_100000210174 [0,1,0,0,0,0|3,0,0]=4 504 B11R1.25 O=C(CO)NCc1ccc[nH]1 240690a_100000764082_100000210174 [0,1,0,0,0,0|2,0,1]=4 505 B11R1.25 O=C(CO)NCc1ccc[nH]1 527a_100000764082_100000210174 [0,1,0,0,0,0|2,0,1]=4 506 B11R1.25 O=C(CO)NCc1ccco1 240690a_100000185738_100000210174 [0,1,0,0,0,0|3,0,0]=4 507 B11R1.25 O=C(CO)NCc1ccco1 527a_100000185738_100000210174 [0,1,0,0,0,0|3,0,0]=4 508 B11R1.25 O=C(CO)NCc1cccs1 240690a_100000211653_100000210174 [0,1,0,0,0,0|3,0,0]=4 509 B11R1.25 O=C(CO)NCc1cccs1 527a_100000211653_100000210174 [0,1,0,0,0,0|3,0,0]=4 510 B11R1.25 O=C(CO)NCc1ccoc1 240690a_100015206860_100000210174 [0,1,0,0,0,0|3,0,0]=4 511 B11R1.25 O=C(CO)NCc1ccoc1 527a_100015206860_100000210174 [0,1,0,0,0,0|3,0,0]=4 512 B11R1.25 O=C(CO)NCc1ccon1 240690a_100000688301_100000210174 [0,1,0,0,0,0|3,0,0]=4 513 B11R1.25 O=C(CO)NCc1ccon1 527a_100000688301_100000210174 [0,1,0,0,0,0|3,0,0]=4 514 B11R1.25 O=C(CO)NCc1ccsc1 240690a_100000186416_100000210174 [0,1,0,0,0,0|3,0,0]=4 515 B11R1.25 O=C(CO)NCc1ccsc1 527a_100000186416_100000210174 [0,1,0,0,0,0|3,0,0]=4 516 B11R1.25 O=C(CO)NCc1cn[nH]c1 240690a_100000737208_100000210174 [0,1,0,0,0,0|3,0,0]=4 517 B11R1.25 O=C(CO)NCc1cnco1 240690a_100020634212_100000210174 [0,1,0,0,0,0|2,0,1]=4 518 B11R1.25 O=C(CO)NCc1cnco1 527a_100020634212_100000210174 [0,1,0,0,0,0|2,0,1]=4 519 B11R1.25 O=C(CO)NCc1cncs1 240690a_100016987365_100000210174 [0,1,0,0,0,0|2,0,1]=4 520 B11R1.25 O=C(CO)NCc1cncs1 527a_100016987365_100000210174 [0,1,0,0,0,0|2,0,1]=4 521 B11R1.25 O=C(CO)NCc1cocn1 240690a_100015188801_100000210174 [0,1,0,0,0,0|2,0,0]=3 522 B11R1.25 O=C(CO)NCc1cocn1 527a_100015188801_100000210174 [0,1,0,0,0,0|2,0,0]=3 523 B11R1.25 O=C(CO)NCc1cscn1 240690a_100015185402_100000210174 [0,1,0,0,0,0|2,0,0]=3 524 B11R1.25 O=C(CO)NCc1cscn1 527a_100015185402_100000210174 [0,1,0,0,0,0|2,0,0]=3 525 B11R1.25 O=C(CO)NCc1ncc[nH]1 240690a_100000754540_100000210174 [0,1,0,0,0,0|3,0,0]=4 526 B11R1.25 O=C(CO)NCc1ncc[nH]1 527a_100000754540_100000210174 [0,1,0,0,0,0|3,0,0]=4 527 B11R1.25 O=C(CO)NCc1ncco1 240690a_100016994969_100000210174 [0,1,0,0,0,0|3,0,0]=4 528 B11R1.25 O=C(CO)NCc1ncco1 527a_100016994969_100000210174 [0,1,0,0,0,0|3,0,0]=4 529 B11R1.25 O=C(CO)NCc1nccs1 240690a_100000740555_100000210174 [0,1,0,0,0,0|3,0,0]=4 530 B11R1.25 O=C(CO)NCc1nccs1 527a_100000740555_100000210174 [0,1,0,0,0,0|3,0,0]=4 531 B11R1.25 OCC(O)CSc1c[nH]cn1 62a_100000756875_100011219619 [0,1,0,0,0,0|1,0,2]=4 532 B11R1.25 OCC(O)CSc1c[nH]cn1 62a_100011219619_100000756875 [0,1,0,0,0,0|1,0,2]=4 533 B11R1.25 OC[C@H](O)CSc1c[nH]cn1 62a_100000756875_100009815848 [0,1,0,0,0,0|1,0,2]=4 534 B11R1.25 OC[C@H](O)CSc1c[nH]cn1 62a_100009815848_100000756875 [0,1,0,0,0,0|1,0,2]=4 535 B11R1.25 O[C@@H](CF)CSc1c[nH]cn1 62a_100000756875_100015614560 [0,1,0,0,0,0|2,0,1]=4 536 B11R1.25 O[C@@H](CF)CSc1c[nH]cn1 62a_100015614560_100000756875 [0,1,0,0,0,0|2,0,1]=4 537 B11R1.35 C=C(C)C(=O)Cc1c[nH]cn1 1458a_100000185857_100000707719 [0,1,0,0,0,0|2,0,1]=4 538 B11R1.35 CC(=O)C(C)Cn1cccn1 1458a_100000740329_200000210301 [0,1,0,0,0,0|3,0,0]=4 539 B11R1.35 CC(=O)C(C)Sc1c[nH]cn1 62a_100000756875_100009814033 [0,1,0,0,0,0|2,0,0]=3 540 B11R1.35 CC(=O)C(C)Sc1c[nH]cn1 62a_100009814033_100000756875 [0,1,0,0,0,0|2,0,0]=3 541 B11R1.35 CC(=O)C(C)Sc1c[nH]nn1 62a_100009814033_100009819707 [0,1,0,0,0,0|3,0,0]=4 542 B11R1.35 CC(=O)C(C)Sc1c[nH]nn1 62a_100009819707_100009814033 [0,1,0,0,0,0|3,0,0]=4 543 B11R1.35 CC(=O)C(C)Sc1cscn1 62a_100000751502_100009814033 [0,1,0,0,0,0|3,0,0]=4 544 B11R1.35 CC(=O)C(C)Sc1cscn1 62a_100009814033_100000751502 [0,1,0,0,0,0|3,0,0]=4 545 B11R1.35 CC(=O)C(C)Sc1nc[nH]n1 62a_100000761765_100009814033 [0,1,0,0,0,0|3,0,0]=4 546 B11R1.35 CC(=O)C(C)Sc1nc[nH]n1 62a_100009814033_100000761765 [0,1,0,0,0,0|3,0,0]=4 547 B11R1.35 CC(=O)N(C)Cc1cscn1 11a_100000225794_100015343762 [0,1,0,0,0,0|3,0,0]=4 548 B11R1.35 CC(=O)N(C)Cc1cscn1 240690a_100000225794_100015343762 [0,1,0,0,0,0|3,0,0]=4 549 B11R1.35 CC(=O)N(C)Cc1cscn1 527a_100000225794_100103153847 [0,1,0,0,0,0|3,0,0]=4 550 B11R1.35 CC(Cn1cccn1)C(=O)[13CH3] 1458a_100000740329_200025704644 [0,1,0,0,0,0|3,0,0]=4 551 B11R1.35 CC(Sc1c[nH]cn1)C(=O)N 62a_100000702099_100000756875 [0,1,0,0,0,0|2,0,0]=3 552 B11R1.35 CC(Sc1c[nH]cn1)C(=O)N 62a_100000756875_100000702099 [0,1,0,0,0,0|2,0,0]=3 553 B11R1.35 CC(Sc1c[nH]nn1)C(=O)N 62a_100000702099_100009819707 [0,1,0,0,0,0|3,0,0]=4 554 B11R1.35 CC(Sc1c[nH]nn1)C(=O)N 62a_100009819707_100000702099 [0,1,0,0,0,0|3,0,0]=4 555 B11R1.35 CC(Sc1cscn1)C(=O)N 62a_100000702099_100000751502 [0,1,0,0,0,0|3,0,0]=4 556 B11R1.35 CC(Sc1cscn1)C(=O)N 62a_100000751502_100000702099 [0,1,0,0,0,0|3,0,0]=4 557 B11R1.35 CC(Sc1nc[nH]n1)C(=O)N 62a_100000702099_100000761765 [0,1,0,0,0,0|3,0,0]=4 558 B11R1.35 CC(Sc1nc[nH]n1)C(=O)N 62a_100000761765_100000702099 [0,1,0,0,0,0|3,0,0]=4 559 B11R1.35 C[C@@H](O)C(=O)Cc1c[nH]cn1 1458a_100000717761_100000707719 [0,1,0,0,0,0|1,0,2]=4 560 B11R1.35 C[C@H](O)C(=O)Cc1c[nH]cn1 1458a_217856618621_100000707719 [0,1,0,0,0,0|1,0,2]=4 561 B11R1.35 NC(=O)C(F)Sc1c[nH]cn1 62a_100000756875_100009813875 [0,1,0,0,0,0|2,0,0]=3 562 B11R1.35 NC(=O)C(F)Sc1c[nH]cn1 62a_100009813875_100000756875 [0,1,0,0,0,0|2,0,0]=3 563 B11R1.35 NC(=O)C(F)Sc1c[nH]nn1 62a_100009813875_100009819707 [0,1,0,0,0,0|3,0,0]=4 564 B11R1.35 NC(=O)C(F)Sc1c[nH]nn1 62a_100009819707_100009813875 [0,1,0,0,0,0|3,0,0]=4 565 B11R1.35 NC(=O)C(F)Sc1cscn1 62a_100000751502_100009813875 [0,1,0,0,0,0|3,0,0]=4 566 B11R1.35 NC(=O)C(F)Sc1cscn1 62a_100009813875_100000751502 [0,1,0,0,0,0|3,0,0]=4 567 B11R1.35 NC(=O)C(F)Sc1nc[nH]n1 62a_100000761765_100009813875 [0,1,0,0,0,0|3,0,0]=4 568 B11R1.35 NC(=O)C(F)Sc1nc[nH]n1 62a_100009813875_100000761765 [0,1,0,0,0,0|3,0,0]=4 569 B11R1.35 O=C(Cc1c[nH]cn1)C(O)O 1458a_100000233687_100000707719 [0,1,0,0,0,0|0,0,3]=4 570 B11R1.35 O=C([O-])C(F)Sc1c[nH]cn1 62a_100000756875_100020610796 [0,1,0,0,0,0|1,0,1]=3 571 B11R1.35 O=C([O-])C(F)Sc1c[nH]cn1 62a_100020610796_100000756875 [0,1,0,0,0,0|1,0,1]=3 572 B11R1.35 O=C([O-])C(F)Sc1c[nH]nn1 62a_100009819707_100020610796 [0,1,0,0,0,0|2,0,1]=4 573 B11R1.35 O=C([O-])C(F)Sc1c[nH]nn1 62a_100020610796_100009819707 [0,1,0,0,0,0|2,0,1]=4 574 B11R1.35 O=C([O-])C(F)Sc1cscn1 62a_100000751502_100020610796 [0,1,0,0,0,0|2,0,1]=4 575 B11R1.35 O=C([O-])C(F)Sc1cscn1 62a_100020610796_100000751502 [0,1,0,0,0,0|2,0,1]=4 576 B11R1.35 O=C([O-])C(F)Sc1nc[nH]n1 62a_100000761765_100020610796 [0,1,0,0,0,0|2,0,1]=4 577 B11R1.35 O=C([O-])C(F)Sc1nc[nH]n1 62a_100020610796_100000761765 [0,1,0,0,0,0|2,0,1]=4 578 B11R1.75 C=C(C)CSc1c[nH]c(n1)C 62a_100000748629_100009814057 [0,1,0,0,0,0|3,0,0]=4 579 B11R1.75 C=C(C)CSc1c[nH]c(n1)C 62a_100009814057_100000211660 [0,1,0,0,0,0|3,0,0]=4 580 B11R1.75 C=C(C)CSc1cn(cn1)C 62a_100000040308_100000211660 [0,1,0,0,0,0|3,0,0]=4 581 B11R1.75 C=C(C)CSc1cn(cn1)C 62a_100000748629_100000040308 [0,1,0,0,0,0|3,0,0]=4 582 B11R1.75 C=C(F)CSc1c[nH]c(n1)C 62a_100000042424_100009814057 [0,1,0,0,0,0|3,0,0]=4 583 B11R1.75 C=C(F)CSc1c[nH]c(n1)C 62a_100009814057_100000042424 [0,1,0,0,0,0|3,0,0]=4 584 B11R1.75 C=C(F)CSc1cn(cn1)C 62a_100000040308_100000042424 [0,1,0,0,0,0|3,0,0]=4 585 B11R1.75 C=C(F)CSc1cn(cn1)C 62a_100000042424_100000040308 [0,1,0,0,0,0|3,0,0]=4 586 B11R1.75 CC(=O)CCc1cnn(c1)C 1458a_100000743273_200000210301 [0,1,0,0,0,0|3,0,0]=4 587 B11R1.75 CC(=O)CCc1csc(n1)C 1458a_100000070787_100000695623 [0,1,0,0,0,0|2,0,0]=3 588 B11R1.75 CC(=O)CCc1n[nH]c(n1)C 1458a_102515433058_200000210301 [0,1,0,0,0,0|2,0,0]=3 589 B11R1.75 CC(=O)CCc1nc(n[nH]1)Br 1458a_100010064227_200000210301 [0,1,0,0,0,0|2,0,1]=4 590 B11R1.75 CC(=O)CCc1nc(n[nH]1)Cl 1458a_200009830084_200000210301 [0,1,0,0,0,0|2,0,1]=4 591 B11R1.75 CC(=O)CCn1cc(cn1)C 1458a_100000743555_200000210301 [0,1,0,0,0,0|3,0,0]=4 592 B11R1.75 CC(=O)CCn1cc(cn1)Cl 1458a_100000070787_100011353933 [0,1,0,0,0,0|3,0,0]=4 593 B11R1.75 CC(=O)CCn1cc(cn1)Cl 1458a_100000743157_200000210301 [0,1,0,0,0,0|3,0,0]=4 594 B11R1.75 CC(=O)CCn1cc(cn1)I 1458a_100012072392_200000210301 [0,1,0,0,0,0|3,0,0]=4 595 B11R1.75 CC(=O)CCn1ccc(n1)C 1458a_100000070787_200011934056 [0,1,0,0,0,0|3,0,0]=4 596 B11R1.75 CC(=O)CCn1ccc(n1)C 1458a_100000759146_200000210301 [0,1,0,0,0,0|3,0,0]=4 597 B11R1.75 CC(=O)NCc1cn(cn1)C 11a_100011834058_100015343762 [0,1,0,0,0,0|2,0,0]=3 598 B11R1.75 CC(=O)NCc1cn(cn1)C 1626a_100011834058_100015343762 [0,1,0,0,0,0|2,0,0]=3 599 B11R1.75 CC(=O)NCc1cn(cn1)C 240690a_100011834058_100015343762 [0,1,0,0,0,0|2,0,0]=3 600 B11R1.75 CC(=O)NCc1cn(cn1)C 527a_100011834058_100103153847 [0,1,0,0,0,0|2,0,0]=3 601 B11R1.75 CC(=O)NCc1cn(nn1)C 274090a_200000210301_100000175883 [0,1,0,0,0,0|3,0,0]=4 602 B11R1.75 CC(=O)NCc1cn(nn1)[13CH3] 274090a_200025704644_100000175883 [0,1,0,0,0,0|3,0,0]=4 603 B11R1.75 CC(=O)NCc1csc(n1)C 11a_100000707933_100015343762 [0,1,0,0,0,0|3,0,0]=4 604 B11R1.75 CC(=O)NCc1csc(n1)C 1626a_100000707933_100015343762 [0,1,0,0,0,0|3,0,0]=4 605 B11R1.75 CC(=O)NCc1csc(n1)C 240690a_100000707933_100015343762 [0,1,0,0,0,0|3,0,0]=4 606 B11R1.75 CC(=O)NCc1csc(n1)C 527a_100000707933_100103153847 [0,1,0,0,0,0|3,0,0]=4 607 B11R1.75 CC(=O)NCc1n[nH]c(n1)C 11a_100000752542_100015343762 [0,1,0,0,0,0|3,0,0]=4 608 B11R1.75 CC(=O)NCc1n[nH]c(n1)C 240690a_100000752542_100015343762 [0,1,0,0,0,0|3,0,0]=4 609 B11R1.75 CC(=O)NCc1n[nH]c(n1)C 527a_100000752542_100103153847 [0,1,0,0,0,0|3,0,0]=4 610 B11R1.75 CC(=O)NCc1ncn(n1)C 11a_100000695864_100015343762 [0,1,0,0,0,0|3,0,0]=4 611 B11R1.75 CC(=O)NCc1ncn(n1)C 1626a_100000695864_100015343762 [0,1,0,0,0,0|3,0,0]=4 612 B11R1.75 CC(=O)NCc1ncn(n1)C 240690a_100000695864_100015343762 [0,1,0,0,0,0|3,0,0]=4 613 B11R1.75 CC(=O)NCc1ncn(n1)C 527a_100000695864_100103153847 [0,1,0,0,0,0|3,0,0]=4 614 B11R1.75 CC(=O)OCc1cn(nn1)C 274090a_200000210301_100000006626 [0,1,0,0,0,0|3,0,0]=4 615 B11R1.75 CC(=O)OCc1cn(nn1)[13CH3] 274090a_200025704644_100000006626 [0,1,0,0,0,0|3,0,0]=4 616 B11R1.75 CC(=O)SCc1cn(nn1)C 274090a_200000210301_100044875725 [0,1,0,0,0,0|3,0,0]=4 617 B11R1.75 CC(=O)SCc1cn(nn1)[13CH3] 274090a_200025704644_100044875725 [0,1,0,0,0,0|3,0,0]=4 618 B11R1.75 CC(O)CSc1cn(cn1)C 62a_100000040308_100011218427 [0,1,0,0,0,0|2,0,1]=4 619 B11R1.75 CC(O)CSc1cn(cn1)C 62a_100011218427_100000040308 [0,1,0,0,0,0|2,0,1]=4 620 B11R1.75 C[C@@H](O)CSc1cn(cn1)C 62a_100000040308_100009817552 [0,1,0,0,0,0|2,0,1]=4 621 B11R1.75 C[C@@H](O)CSc1cn(cn1)C 62a_100009817552_100000040308 [0,1,0,0,0,0|2,0,1]=4 622 B11R1.75 Cc1ccn(n1)CCC(=O)[13CH3] 1458a_100000759146_200025704644 [0,1,0,0,0,0|3,0,0]=4 623 B11R1.75 Cc1cnn(c1)CCC(=O)[13CH3] 1458a_100000743555_200025704644 [0,1,0,0,0,0|3,0,0]=4 624 B11R1.75 Cc1nc(c[nH]1)SCC(=O)N 62a_100000747473_100009814057 [0,1,0,0,0,0|2,0,0]=3 625 B11R1.75 Cc1nc(c[nH]1)SCC(=O)N 62a_100009814057_100000747473 [0,1,0,0,0,0|2,0,0]=3 626 B11R1.75 Cc1nc(c[nH]1)SCC(=O)[O-] 62a_100009814057_100020667443 [0,1,0,0,0,0|1,0,1]=3 627 B11R1.75 Cc1nc(c[nH]1)SCC(=O)[O-] 62a_100020667443_100009814057 [0,1,0,0,0,0|1,0,1]=3 628 B11R1.75 Cc1nc(c[nH]1)SCC(C)O 62a_100009814057_100011218427 [0,1,0,0,0,0|2,0,1]=4 629 B11R1.75 Cc1nc(c[nH]1)SCC(C)O 62a_100011218427_100009814057 [0,1,0,0,0,0|2,0,1]=4 630 B11R1.75 Cc1nc(c[nH]1)SC[C@@H](C)O 62a_100009814057_100009817552 [0,1,0,0,0,0|2,0,1]=4 631 B11R1.75 Cc1nc(c[nH]1)SC[C@@H](C)O 62a_100009817552_100009814057 [0,1,0,0,0,0|2,0,1]=4 632 B11R1.75 Cc1nc(c[nH]1)SC[N+](=O)[O-] 62a_100009814057_100000761209 [0,1,0,0,0,0|2,0,1]=4 633 B11R1.75 Cc1nc(cs1)SCC(=O)N 62a_100000747473_100011934587 [0,1,0,0,0,0|3,0,0]=4 634 B11R1.75 Cc1nc(cs1)SCC(=O)N 62a_100011934587_100000747473 [0,1,0,0,0,0|3,0,0]=4 635 B11R1.75 Cc1nc(cs1)SCC(=O)[O-] 62a_100011934587_100020667443 [0,1,0,0,0,0|2,0,1]=4 636 B11R1.75 Cc1nc(cs1)SCC(=O)[O-] 62a_100020667443_100011934587 [0,1,0,0,0,0|2,0,1]=4 637 B11R1.75 Cc1nc(n[nH]1)CCC(=O)[13CH3] 1458a_102515433058_200025704644 [0,1,0,0,0,0|2,0,0]=3 638 B11R1.75 Cc1nc(n[nH]1)SCC(=O)N 62a_100000732540_100000747473 [0,1,0,0,0,0|3,0,0]=4 639 B11R1.75 Cc1nc(n[nH]1)SCC(=O)N 62a_100000747473_100000732540 [0,1,0,0,0,0|3,0,0]=4 640 B11R1.75 Cc1nc(n[nH]1)SCC(=O)[O-] 62a_100000732540_100020667443 [0,1,0,0,0,0|2,0,1]=4 641 B11R1.75 Cc1nc(n[nH]1)SCC(=O)[O-] 62a_100020667443_100000732540 [0,1,0,0,0,0|2,0,1]=4 642 B11R1.75 Cc1noc(n1)CCC(=O)N 270196a_100000212224_100011215257 [0,1,0,0,0,0|2,0,1]=4 643 B11R1.75 Cn1cc(cn1)CCC(=O)[13CH3] 1458a_100000743273_200025704644 [0,1,0,0,0,0|3,0,0]=4 644 B11R1.75 Cn1cc(nn1)CCC(=O)O 274090a_200000210301_100000692101 [0,1,0,0,0,0|1,0,0]=2 645 B11R1.75 Cn1cc(nn1)CNC(=O)N 274090a_200000210301_100000238980 [0,1,0,0,0,0|3,0,0]=4 646 B11R1.75 Cn1cc(nn1)SCC(=O)N 62a_100000747473_100000760339 [0,1,0,0,0,0|3,0,0]=4 647 B11R1.75 Cn1cc(nn1)SCC(=O)N 62a_100000760339_100000747473 [0,1,0,0,0,0|3,0,0]=4 648 B11R1.75 Cn1cc(nn1)SCC(=O)[O-] 62a_100000760339_100020667443 [0,1,0,0,0,0|2,0,1]=4 649 B11R1.75 Cn1cc(nn1)SCC(=O)[O-] 62a_100020667443_100000760339 [0,1,0,0,0,0|2,0,1]=4 650 B11R1.75 Cn1cnc(c1)SCC(=O)N 62a_100000040308_100000747473 [0,1,0,0,0,0|2,0,0]=3 651 B11R1.75 Cn1cnc(c1)SCC(=O)N 62a_100000747473_100000040308 [0,1,0,0,0,0|2,0,0]=3 652 B11R1.75 Cn1cnc(c1)SCC(=O)[O-] 62a_100000040308_100020667443 [0,1,0,0,0,0|1,0,1]=3 653 B11R1.75 Cn1cnc(c1)SCC(=O)[O-] 62a_100020667443_100000040308 [0,1,0,0,0,0|1,0,1]=3 654 B11R1.75 Cn1cnc(c1)SC[N+](=O)[O-] 62a_100000040308_100000761209 [0,1,0,0,0,0|2,0,1]=4 655 B11R1.75 Cn1cnc(n1)SCC(=O)N 62a_100000747473_100009819955 [0,1,0,0,0,0|3,0,0]=4 656 B11R1.75 Cn1cnc(n1)SCC(=O)N 62a_100009819955_100000747473 [0,1,0,0,0,0|3,0,0]=4 657 B11R1.75 Cn1cnc(n1)SCC(=O)[O-] 62a_100009819955_100020667443 [0,1,0,0,0,0|2,0,1]=4 658 B11R1.75 Cn1cnc(n1)SCC(=O)[O-] 62a_100020667443_100009819955 [0,1,0,0,0,0|2,0,1]=4 659 B11R1.75 NC(=O)CCn1cc(cn1)O 271570a_203496583355_100011400269 [0,1,0,0,0,0|3,0,0]=4 660 B11R1.75 NC(=O)CSc1csc(n1)N 62a_100000747473_100011998049 [0,1,0,0,0,0|3,0,0]=4 661 B11R1.75 NC(=O)CSc1csc(n1)N 62a_100011998049_100000747473 [0,1,0,0,0,0|3,0,0]=4 662 B11R1.75 NC(=O)CSc1n[nH]c(n1)N 62a_100000747473_100015184587 [0,1,0,0,0,0|3,0,0]=4 663 B11R1.75 NC(=O)CSc1n[nH]c(n1)N 62a_100015184587_100000747473 [0,1,0,0,0,0|3,0,0]=4 664 B11R1.75 Nc1nc(cs1)SCC(=O)[O-] 62a_100011998049_100020667443 [0,1,0,0,0,0|2,0,1]=4 665 B11R1.75 Nc1nc(cs1)SCC(=O)[O-] 62a_100020667443_100011998049 [0,1,0,0,0,0|2,0,1]=4 666 B11R1.75 Nc1nc(n[nH]1)SCC(=O)[O-] 62a_100015184587_100020667443 [0,1,0,0,0,0|2,0,1]=4 667 B11R1.75 Nc1nc(n[nH]1)SCC(=O)[O-] 62a_100020667443_100015184587 [0,1,0,0,0,0|2,0,1]=4 668 B11R1.75 [13CH3]C(=O)CCc1nc(n[nH]1)Br 1458a_100010064227_200025704644 [0,1,0,0,0,0|2,0,1]=4 669 B11R1.75 [13CH3]C(=O)CCc1nc(n[nH]1)Cl 1458a_200009830084_200025704644 [0,1,0,0,0,0|2,0,1]=4 670 B11R1.75 [13CH3]C(=O)CCn1cc(cn1)Cl 1458a_100000743157_200025704644 [0,1,0,0,0,0|3,0,0]=4 671 B11R1.75 [13CH3]C(=O)CCn1cc(cn1)I 1458a_100012072392_200025704644 [0,1,0,0,0,0|3,0,0]=4 672 B11R1.75 [13CH3]n1cc(nn1)CCC(=O)O 274090a_200025704644_100000692101 [0,1,0,0,0,0|1,0,0]=2 673 B11R1.75 [13CH3]n1cc(nn1)CNC(=O)N 274090a_200025704644_100000238980 [0,1,0,0,0,0|3,0,0]=4 674 B11R1.77 CC(=O)CC(C)n1cccn1 1458a_100011311474_200000210301 [0,1,0,0,0,0|3,0,0]=4 675 B11R1.77 CC(=O)CC(C)n1cncn1 1458a_100000070787_200015185000 [0,1,0,0,0,0|2,0,1]=4 676 B11R1.77 CC(C)C[C@H](N)c1c[nH]cn1 271570a_100015190218_100000756875 [0,1,0,0,0,0|2,0,1]=4 677 B11R1.77 CC(CC(=O)[13CH3])n1cccn1 1458a_100011311474_200025704644 [0,1,0,0,0,0|3,0,0]=4 678 B11R1.90 C=C(C)CSc1nc[nH]c1C 62a_100000748629_100010186451 [0,1,0,0,0,0|3,0,0]=4 679 B11R1.90 C=C(C)CSc1nc[nH]c1C 62a_100010186451_100000211660 [0,1,0,0,0,0|3,0,0]=4 680 B11R1.90 C=C(F)CSc1nc[nH]c1C 62a_100000042424_100010186451 [0,1,0,0,0,0|3,0,0]=4 681 B11R1.90 C=C(F)CSc1nc[nH]c1C 62a_100010186451_100000042424 [0,1,0,0,0,0|3,0,0]=4 682 B11R1.90 CC(=O)CCc1nccn1C 1458a_200011261795_200000210301 [0,1,0,0,0,0|3,0,0]=4 683 B11R1.90 CC(=O)CCc1scnc1C 1458a_100000070787_100000057103 [0,1,0,0,0,0|2,0,1]=4 684 B11R1.90 CC(=O)CCc1scnc1C 1458a_100011934404_200000210301 [0,1,0,0,0,0|2,0,1]=4 685 B11R1.90 CC(=O)CCn1nccc1C 1458a_100000070787_100011934269 [0,1,0,0,0,0|3,0,0]=4 686 B11R1.90 CC(=O)CCn1nccc1C 1458a_200000759149_200000210301 [0,1,0,0,0,0|3,0,0]=4 687 B11R1.90 Cc1[nH]cnc1SCC(=O)N 62a_100000747473_100010186451 [0,1,0,0,0,0|2,0,0]=3 688 B11R1.90 Cc1[nH]cnc1SCC(=O)N 62a_100010186451_100000747473 [0,1,0,0,0,0|2,0,0]=3 689 B11R1.90 Cc1[nH]cnc1SCC(=O)[O-] 62a_100010186451_100020667443 [0,1,0,0,0,0|1,0,1]=3 690 B11R1.90 Cc1[nH]cnc1SCC(=O)[O-] 62a_100020667443_100010186451 [0,1,0,0,0,0|1,0,1]=3 691 B11R1.90 Cc1[nH]cnc1SCC(C)O 62a_100010186451_100011218427 [0,1,0,0,0,0|2,0,1]=4 692 B11R1.90 Cc1[nH]cnc1SCC(C)O 62a_100011218427_100010186451 [0,1,0,0,0,0|2,0,1]=4 693 B11R1.90 Cc1[nH]cnc1SC[C@@H](C)O 62a_100009817552_100010186451 [0,1,0,0,0,0|2,0,1]=4 694 B11R1.90 Cc1[nH]cnc1SC[C@@H](C)O 62a_100010186451_100009817552 [0,1,0,0,0,0|2,0,1]=4 695 B11R1.90 Cc1[nH]cnc1SC[N+](=O)[O-] 62a_100010186451_100000761209 [0,1,0,0,0,0|2,0,1]=4 696 B11R1.90 Cc1ccnn1CCC(=O)[13CH3] 1458a_200000759149_200025704644 [0,1,0,0,0,0|3,0,0]=4 697 B11R1.90 Cc1ncsc1CCC(=O)[13CH3] 1458a_100011934404_200025704644 [0,1,0,0,0,0|2,0,1]=4 698 B11R1.90 Cc1scnc1SCC(=O)N 62a_100000732656_100000747473 [0,1,0,0,0,0|3,0,0]=4 699 B11R1.90 Cc1scnc1SCC(=O)N 62a_100000747473_100000732656 [0,1,0,0,0,0|3,0,0]=4 700 B11R1.90 Cc1scnc1SCC(=O)[O-] 62a_100000732656_100020667443 [0,1,0,0,0,0|2,0,1]=4 701 B11R1.90 Cc1scnc1SCC(=O)[O-] 62a_100020667443_100000732656 [0,1,0,0,0,0|2,0,1]=4 702 B11R1.90 Cn1ccnc1CCC(=O)[13CH3] 1458a_200011261795_200025704644 [0,1,0,0,0,0|3,0,0]=4 703 B11R1.510 CC(C)(O)CSc1c[nH]cn1 62a_100000756875_100000764493 [0,1,0,0,0,0|2,0,1]=4 704 B11R1.510 CC(C)(O)CSc1c[nH]cn1 62a_100000764493_100000756875 [0,1,0,0,0,0|2,0,1]=4 705 B11R1.510 NS(=O)(=O)CSc1c[nH]cn1 62a_100000741382_100000756875 [0,1,0,0,0,0|2,0,1]=4 706 B11R1.510 NS(=O)(=O)CSc1c[nH]cn1 62a_100000756875_100000741382 [0,1,0,0,0,0|2,0,1]=4 707 B11R1.510 O=S(=O)([O-])CSc1c[nH]cn1 62a_100000756875_100009817235 [0,1,0,0,0,0|2,0,1]=4 708 B11R1.510 O=S(=O)([O-])CSc1c[nH]cn1 62a_100009817235_100000756875 [0,1,0,0,0,0|2,0,1]=4 709 B11R2.36 CN1CCc2nc[nH]c2C1 2230a_100000723896_200000210301 [0,0,0,1,0,0|3,0,0]=4 710 B11R2.36 Oc1ccc2nc[nH]c2n1 271570a_203496583355_100000077665 [0,0,0,1,0,0|1,0,2]=4 711 B11R2.36 Oc1cnc2nc[nH]c2c1 271570a_203496583355_100000760087 [0,0,0,1,0,0|2,0,1]=4 712 B11R2.36 [13CH3]N1CCc2nc[nH]c2C1 2230a_100000723896_200025704644 [0,0,0,1,0,0|3,0,0]=4 713 B11R2.385 c1nc(c[nH]1)SCC2CO2 62a_100000756875_102125554688 [0,0,0,1,0,0|2,0,1]=4 714 B11R2.385 c1nc(c[nH]1)SCC2CO2 62a_102125554688_100000756875 [0,0,0,1,0,0|2,0,1]=4 715 B11R2.385 c1nc(c[nH]1)SC[C@@H]2CO2 62a_100000745022_100000756875 [0,0,0,1,0,0|2,0,1]=4 716 B11R2.385 c1nc(c[nH]1)SC[C@@H]2CO2 62a_100000756875_100000745022 [0,0,0,1,0,0|2,0,1]=4 717 B9R1.13 CC(=Cc1c[nH]cn1)C 271570a_100102525489_100000756875 [0,0,0,0,1,0|2,0,1]=4 718 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100000070787_100000707719 [0,0,0,0,1,0|1,0,0]=2 719 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100015291406_200000210301 [0,0,0,0,1,0|1,0,0]=2 720 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [0,0,0,0,1,0|2,0,1]=4 721 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [0,0,0,0,1,0|3,0,0]=4 722 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [0,0,0,0,1,0|3,0,0]=4 723 B9R1.13 CC(=O)Cc1ccoc1 1458a_100000684892_200000210301 [0,0,0,0,1,0|3,0,0]=4 724 B9R1.13 CC(=O)Cc1ccon1 1458a_100000070787_100000234950 [0,0,0,0,1,0|3,0,0]=4 725 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000070787_100011233845 [0,0,0,0,1,0|3,0,0]=4 726 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000184062_200000210301 [0,0,0,0,1,0|3,0,0]=4 727 B9R1.13 CC(=O)Cc1cncs1 1458a_100000070787_100015185245 [0,0,0,0,1,0|2,0,1]=4 728 B9R1.13 CC(=O)Cc1cscn1 1458a_100000070787_100000205941 [0,0,0,0,1,0|2,0,0]=3 729 B9R1.13 CC(=O)Cc1cscn1 1458a_100011438297_200000210301 [0,0,0,0,1,0|2,0,0]=3 730 B9R1.13 CC(=O)Cc1ncco1 1458a_100000070787_103436540062 [0,0,0,0,1,0|3,0,0]=4 731 B9R1.13 CC(=O)Cc1nccs1 1458a_100000070787_100015184050 [0,0,0,0,1,0|3,0,0]=4 732 B9R1.13 CC(=O)Cn1cccn1 1458a_100000233772_200000210301 [0,0,0,0,1,0|3,0,0]=4 733 B9R1.13 CC(=O)Cn1cncn1 1458a_100000070787_200020645497 [0,0,0,0,1,0|2,0,1]=4 734 B9R1.13 CC(=O)Cn1cncn1 1458a_100000699347_200000210301 [0,0,0,0,1,0|2,0,1]=4 735 B9R1.13 CN(C)Cc1c[nH]cn1 2230a_100102631434_100000707719 [0,0,0,0,1,0|3,0,0]=4 736 B9R1.13 CN(C)Cc1c[nH]cn1 269982a_100102631434_100000707719 [0,0,0,0,1,0|3,0,0]=4 737 B9R1.13 [13CH3]C(=O)Cc1c[nH]cn1 1458a_100015291406_200025704644 [0,0,0,0,1,0|1,0,0]=2 738 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [0,0,0,0,1,0|2,0,1]=4 739 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [0,0,0,0,1,0|3,0,0]=4 740 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [0,0,0,0,1,0|3,0,0]=4 741 B9R1.13 [13CH3]C(=O)Cc1ccoc1 1458a_100000684892_200025704644 [0,0,0,0,1,0|3,0,0]=4 742 B9R1.13 [13CH3]C(=O)Cc1ccsc1 1458a_100000184062_200025704644 [0,0,0,0,1,0|3,0,0]=4 743 B9R1.13 [13CH3]C(=O)Cc1cscn1 1458a_100011438297_200025704644 [0,0,0,0,1,0|2,0,0]=3 744 B9R1.13 [13CH3]C(=O)Cn1cccn1 1458a_100000233772_200025704644 [0,0,0,0,1,0|3,0,0]=4 745 B9R1.13 [13CH3]C(=O)Cn1cncn1 1458a_100000699347_200025704644 [0,0,0,0,1,0|2,0,1]=4 746 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [0,0,0,0,0,1|3,0,0]=4 747 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [0,0,0,0,0,1|3,0,0]=4 748 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [0,0,0,0,0,1|2,0,0]=3 749 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [0,0,0,0,0,1|2,0,0]=3 750 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [0,0,0,0,0,1|2,0,0]=3 751 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [0,0,0,0,0,1|2,0,0]=3 752 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [0,0,0,0,0,1|2,0,1]=4 753 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [0,0,0,0,0,1|2,0,1]=4 754 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [0,0,0,0,0,1|3,0,0]=4 755 B11R1.91 CC(=O)COc1cccnc1 1458a_100015207166_200000210301 [0,0,0,0,0,1|3,0,0]=4 756 B11R1.91 CC(=O)CSc1ccccn1 1458a_100000156281_200000210301 [0,0,0,0,0,1|3,0,0]=4 757 B11R1.91 CC(=O)NCc1ccccn1 11a_100000210449_100015343762 [0,0,0,0,0,1|3,0,0]=4 758 B11R1.91 CC(=O)NCc1ccccn1 1626a_100000210449_100015343762 [0,0,0,0,0,1|3,0,0]=4 759 B11R1.91 CC(=O)NCc1ccccn1 240690a_100000210449_100015343762 [0,0,0,0,0,1|3,0,0]=4 760 B11R1.91 CC(=O)NCc1ccccn1 527a_100000210449_100103153847 [0,0,0,0,0,1|3,0,0]=4 761 B11R1.91 CC(=O)NCc1cccnc1 11a_100000210453_100015343762 [0,0,0,0,0,1|3,0,0]=4 762 B11R1.91 CC(=O)NCc1cccnc1 240690a_100000210453_100015343762 [0,0,0,0,0,1|3,0,0]=4 763 B11R1.91 CC(=O)NCc1cccnc1 527a_100000210453_100103153847 [0,0,0,0,0,1|3,0,0]=4 764 B11R1.91 CC(=O)NCc1cccnn1 11a_100159270163_100015343762 [0,0,0,0,0,1|3,0,0]=4 765 B11R1.91 CC(=O)NCc1cccnn1 240690a_100159270163_100015343762 [0,0,0,0,0,1|3,0,0]=4 766 B11R1.91 CC(=O)NCc1cccnn1 527a_100159270163_100103153847 [0,0,0,0,0,1|3,0,0]=4 767 B11R1.91 CC(=O)NCc1ccncn1 11a_100000736019_100015343762 [0,0,0,0,0,1|2,0,1]=4 768 B11R1.91 CC(=O)NCc1ccncn1 240690a_100000736019_100015343762 [0,0,0,0,0,1|2,0,1]=4 769 B11R1.91 CC(=O)NCc1ccncn1 527a_100000736019_100103153847 [0,0,0,0,0,1|2,0,1]=4 770 B11R1.91 CC(=O)NCc1cnccn1 11a_100000737960_100015343762 [0,0,0,0,0,1|2,0,1]=4 771 B11R1.91 CC(=O)NCc1cnccn1 240690a_100000737960_100015343762 [0,0,0,0,0,1|2,0,1]=4 772 B11R1.91 CC(=O)NCc1cnccn1 527a_100000737960_100103153847 [0,0,0,0,0,1|2,0,1]=4 773 B11R1.91 CC(=O)NCc1cncnc1 11a_100011243677_100015343762 [0,0,0,0,0,1|2,0,1]=4 774 B11R1.91 CC(=O)NCc1cncnc1 240690a_100011243677_100015343762 [0,0,0,0,0,1|2,0,1]=4 775 B11R1.91 CC(=O)NCc1cncnc1 527a_100011243677_100103153847 [0,0,0,0,0,1|2,0,1]=4 776 B11R1.91 CC(=O)NCc1ncccn1 11a_100015189908_100015343762 [0,0,0,0,0,1|3,0,0]=4 777 B11R1.91 CC(=O)NCc1ncccn1 240690a_100015189908_100015343762 [0,0,0,0,0,1|3,0,0]=4 778 B11R1.91 CC(=O)NCc1ncccn1 527a_100015189908_100103153847 [0,0,0,0,0,1|3,0,0]=4 779 B11R1.91 NC(=O)COc1cccnc1 34a_100000210849_100000187820 [0,0,0,0,0,1|3,0,0]=4 780 B11R1.91 NC(=O)COc1cccnc1 7a_100000210849_100000187820 [0,0,0,0,0,1|3,0,0]=4 781 B11R1.91 NC(=O)COc1cncnc1 7a_100000754086_100000187820 [0,0,0,0,0,1|2,0,1]=4 782 B11R1.91 NC(=O)CSc1ccccn1 62a_100000747473_100011216584 [0,0,0,0,0,1|3,0,0]=4 783 B11R1.91 NC(=O)CSc1ccccn1 62a_100011216584_100000747473 [0,0,0,0,0,1|3,0,0]=4 784 B11R1.91 NC(=O)CSc1cccnc1 62a_100000210063_100000747473 [0,0,0,0,0,1|3,0,0]=4 785 B11R1.91 NC(=O)CSc1cccnc1 62a_100000747473_100000210063 [0,0,0,0,0,1|3,0,0]=4 786 B11R1.91 NC(=O)CSc1cccnn1 62a_100000747473_100016991348 [0,0,0,0,0,1|3,0,0]=4 787 B11R1.91 NC(=O)CSc1cccnn1 62a_100016991348_100000747473 [0,0,0,0,0,1|3,0,0]=4 788 B11R1.91 NC(=O)CSc1ccncn1 62a_100000703185_100000747473 [0,0,0,0,0,1|2,0,1]=4 789 B11R1.91 NC(=O)CSc1ccncn1 62a_100000747473_100000703185 [0,0,0,0,0,1|2,0,1]=4 790 B11R1.91 NC(=O)CSc1cnccn1 62a_100000211759_100000747473 [0,0,0,0,0,1|2,0,1]=4 791 B11R1.91 NC(=O)CSc1cnccn1 62a_100000747473_100000211759 [0,0,0,0,0,1|2,0,1]=4 792 B11R1.91 NC(=O)CSc1cncnc1 62a_100000747473_100011206942 [0,0,0,0,0,1|2,0,1]=4 793 B11R1.91 NC(=O)CSc1cncnc1 62a_100011206942_100000747473 [0,0,0,0,0,1|2,0,1]=4 794 B11R1.91 NC(=O)CSc1ncccn1 62a_100000211032_100000747473 [0,0,0,0,0,1|3,0,0]=4 795 B11R1.91 NC(=O)CSc1ncccn1 62a_100000747473_100000211032 [0,0,0,0,0,1|3,0,0]=4 796 B11R1.91 O=C([O-])COc1cccnc1 34a_100000210849_100020667443 [0,0,0,0,0,1|2,0,1]=4 797 B11R1.91 O=C([O-])CSc1ccccn1 62a_100011216584_100020667443 [0,0,0,0,0,1|2,0,1]=4 798 B11R1.91 O=C([O-])CSc1ccccn1 62a_100020667443_100011216584 [0,0,0,0,0,1|2,0,1]=4 799 B11R1.91 O=C([O-])CSc1cccnc1 62a_100000210063_100020667443 [0,0,0,0,0,1|2,0,1]=4 800 B11R1.91 O=C([O-])CSc1cccnc1 62a_100020667443_100000210063 [0,0,0,0,0,1|2,0,1]=4 801 B11R1.91 O=C([O-])CSc1cccnn1 62a_100016991348_100020667443 [0,0,0,0,0,1|2,0,1]=4 802 B11R1.91 O=C([O-])CSc1cccnn1 62a_100020667443_100016991348 [0,0,0,0,0,1|2,0,1]=4 803 B11R1.91 O=C([O-])CSc1ccncn1 62a_100000703185_100020667443 [0,0,0,0,0,1|1,0,2]=4 804 B11R1.91 O=C([O-])CSc1ccncn1 62a_100020667443_100000703185 [0,0,0,0,0,1|1,0,2]=4 805 B11R1.91 O=C([O-])CSc1cnccn1 62a_100000211759_100020667443 [0,0,0,0,0,1|1,0,2]=4 806 B11R1.91 O=C([O-])CSc1cnccn1 62a_100020667443_100000211759 [0,0,0,0,0,1|1,0,2]=4 807 B11R1.91 O=C([O-])CSc1cncnc1 62a_100011206942_100020667443 [0,0,0,0,0,1|1,0,2]=4 808 B11R1.91 O=C([O-])CSc1cncnc1 62a_100020667443_100011206942 [0,0,0,0,0,1|1,0,2]=4 809 B11R1.91 O=C([O-])CSc1ncccn1 62a_100000211032_100020667443 [0,0,0,0,0,1|2,0,1]=4 810 B11R1.91 O=C([O-])CSc1ncccn1 62a_100020667443_100000211032 [0,0,0,0,0,1|2,0,1]=4 811 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [0,0,0,0,0,1|3,0,0]=4 812 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [0,0,0,0,0,1|2,0,0]=3 813 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [0,0,0,0,0,1|2,0,0]=3 814 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [0,0,0,0,0,1|2,0,1]=4 815 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [0,0,0,0,0,1|3,0,0]=4 816 B11R1.91 [13CH3]C(=O)COc1cccnc1 1458a_100015207166_200025704644 [0,0,0,0,0,1|3,0,0]=4 817 B11R1.91 [13CH3]C(=O)CSc1ccccn1 1458a_100000156281_200025704644 [0,0,0,0,0,1|3,0,0]=4 818 B11R1.172 C=C(C)CCSc1c[nH]cn1 62a_100000730704_100000756875 [0,0,0,0,0,1|2,0,0]=3 819 B11R1.172 C=C(C)CCSc1c[nH]cn1 62a_100000756875_100000730704 [0,0,0,0,0,1|2,0,0]=3 820 B11R1.172 C=C(C)CCSc1c[nH]nn1 62a_100000730704_100009819707 [0,0,0,0,0,1|3,0,0]=4 821 B11R1.172 C=C(C)CCSc1c[nH]nn1 62a_100009819707_100000730704 [0,0,0,0,0,1|3,0,0]=4 822 B11R1.172 C=C(C)CCSc1cscn1 62a_100000730704_100000751502 [0,0,0,0,0,1|3,0,0]=4 823 B11R1.172 C=C(C)CCSc1cscn1 62a_100000751502_100000730704 [0,0,0,0,0,1|3,0,0]=4 824 B11R1.172 C=C(C)CCSc1nc[nH]n1 62a_100000730704_100000761765 [0,0,0,0,0,1|3,0,0]=4 825 B11R1.172 C=C(C)CCSc1nc[nH]n1 62a_100000761765_100000730704 [0,0,0,0,0,1|3,0,0]=4 826 B11R1.172 C=C(C)CNCc1cscn1 2230a_100015185402_100000748629 [0,0,0,0,0,1|3,0,0]=4 827 B11R1.172 C=C(C)COCc1c[nH]cn1 34a_100000210245_100000707719 [0,0,0,0,0,1|2,0,0]=3 828 B11R1.172 C=C(C)COCc1cscn1 34a_100000210245_100000205941 [0,0,0,0,0,1|3,0,0]=4 829 B11R1.172 C=C(C)CSCc1c[nH]cn1 62a_100000707719_100000211660 [0,0,0,0,0,1|2,0,0]=3 830 B11R1.172 C=C(C)CSCc1c[nH]cn1 62a_100000748629_100000707719 [0,0,0,0,0,1|2,0,0]=3 831 B11R1.172 C=C(C)CSCc1cscn1 62a_100000205941_100000211660 [0,0,0,0,0,1|3,0,0]=4 832 B11R1.172 C=C(C)CSCc1cscn1 62a_100000748629_100000205941 [0,0,0,0,0,1|3,0,0]=4 833 B11R1.172 C=C(F)CNCc1cscn1 2230a_100015185402_100009893438 [0,0,0,0,0,1|3,0,0]=4 834 B11R1.172 C=C(F)COCc1c[nH]cn1 34a_200010262243_100000707719 [0,0,0,0,0,1|2,0,0]=3 835 B11R1.172 C=C(F)COCc1cscn1 34a_200010262243_100000205941 [0,0,0,0,0,1|3,0,0]=4 836 B11R1.172 C=C(F)CSCc1c[nH]cn1 62a_100000042424_100000707719 [0,0,0,0,0,1|2,0,0]=3 837 B11R1.172 C=C(F)CSCc1c[nH]cn1 62a_100000707719_100000042424 [0,0,0,0,0,1|2,0,0]=3 838 B11R1.172 C=C(F)CSCc1cscn1 62a_100000042424_100000205941 [0,0,0,0,0,1|3,0,0]=4 839 B11R1.172 C=C(F)CSCc1cscn1 62a_100000205941_100000042424 [0,0,0,0,0,1|3,0,0]=4 840 B11R1.172 CC(=CCSc1c[nH]cn1)C 62a_100000756875_100000761012 [0,0,0,0,0,1|2,0,1]=4 841 B11R1.172 CC(=CCSc1c[nH]cn1)C 62a_100000761012_100000756875 [0,0,0,0,0,1|2,0,1]=4 842 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000070787_100010992444 [0,0,0,0,0,1|3,0,0]=4 843 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000184482_200000210301 [0,0,0,0,0,1|3,0,0]=4 844 B11R1.172 CC(=O)CCCn1cccn1 1458a_100000070787_100000739983 [0,0,0,0,0,1|3,0,0]=4 845 B11R1.172 CC(=O)CCCn1cccn1 1458a_100000742828_200000210301 [0,0,0,0,0,1|3,0,0]=4 846 B11R1.172 CC(=O)CCCn1cncn1 1458a_100000070787_100102700105 [0,0,0,0,0,1|2,0,1]=4 847 B11R1.172 CC(=O)CCCn1cncn1 1458a_100015186313_200000210301 [0,0,0,0,0,1|2,0,1]=4 848 B11R1.172 CC(=O)CCOc1ccsc1 7a_100000106738_100000053229 [0,0,0,0,0,1|3,0,0]=4 849 B11R1.172 CC(=O)CCSc1c[nH]cn1 62a_100000053229_100000756875 [0,0,0,0,0,1|1,0,0]=2 850 B11R1.172 CC(=O)CCSc1c[nH]cn1 62a_100000756875_100000053229 [0,0,0,0,0,1|1,0,0]=2 851 B11R1.172 CC(=O)CCSc1c[nH]nn1 62a_100000053229_100009819707 [0,0,0,0,0,1|2,0,0]=3 852 B11R1.172 CC(=O)CCSc1c[nH]nn1 62a_100009819707_100000053229 [0,0,0,0,0,1|2,0,0]=3 853 B11R1.172 CC(=O)CCSc1cc[nH]n1 62a_100000053229_100000062575 [0,0,0,0,0,1|3,0,0]=4 854 B11R1.172 CC(=O)CCSc1cc[nH]n1 62a_100000062575_100000053229 [0,0,0,0,0,1|3,0,0]=4 855 B11R1.172 CC(=O)CCSc1ccco1 62a_100000053229_100009814098 [0,0,0,0,0,1|3,0,0]=4 856 B11R1.172 CC(=O)CCSc1ccco1 62a_100009814098_100000053229 [0,0,0,0,0,1|3,0,0]=4 857 B11R1.172 CC(=O)CCSc1cccs1 62a_100000053229_100011215356 [0,0,0,0,0,1|3,0,0]=4 858 B11R1.172 CC(=O)CCSc1cccs1 62a_100011215356_100000053229 [0,0,0,0,0,1|3,0,0]=4 859 B11R1.172 CC(=O)CCSc1ccoc1 62a_100000053229_100011215275 [0,0,0,0,0,1|3,0,0]=4 860 B11R1.172 CC(=O)CCSc1ccoc1 62a_100011215275_100000053229 [0,0,0,0,0,1|3,0,0]=4 861 B11R1.172 CC(=O)CCSc1ccon1 62a_100000053229_100009818083 [0,0,0,0,0,1|3,0,0]=4 862 B11R1.172 CC(=O)CCSc1ccon1 62a_100009818083_100000053229 [0,0,0,0,0,1|3,0,0]=4 863 B11R1.172 CC(=O)CCSc1ccsc1 62a_100000053229_100000738268 [0,0,0,0,0,1|3,0,0]=4 864 B11R1.172 CC(=O)CCSc1ccsc1 62a_100000738268_100000053229 [0,0,0,0,0,1|3,0,0]=4 865 B11R1.172 CC(=O)CCSc1ccsn1 62a_100000053229_100009818082 [0,0,0,0,0,1|3,0,0]=4 866 B11R1.172 CC(=O)CCSc1ccsn1 62a_100009818082_100000053229 [0,0,0,0,0,1|3,0,0]=4 867 B11R1.172 CC(=O)CCSc1cn[nH]c1 62a_100000053229_100000238712 [0,0,0,0,0,1|3,0,0]=4 868 B11R1.172 CC(=O)CCSc1cn[nH]c1 62a_100000238712_100000053229 [0,0,0,0,0,1|3,0,0]=4 869 B11R1.172 CC(=O)CCSc1cnco1 62a_100000053229_100020591547 [0,0,0,0,0,1|2,0,1]=4 870 B11R1.172 CC(=O)CCSc1cnco1 62a_100020591547_100000053229 [0,0,0,0,0,1|2,0,1]=4 871 B11R1.172 CC(=O)CCSc1cncs1 62a_100000053229_100011934649 [0,0,0,0,0,1|2,0,1]=4 872 B11R1.172 CC(=O)CCSc1cncs1 62a_100011934649_100000053229 [0,0,0,0,0,1|2,0,1]=4 873 B11R1.172 CC(=O)CCSc1cscn1 62a_100000053229_100000751502 [0,0,0,0,0,1|2,0,0]=3 874 B11R1.172 CC(=O)CCSc1cscn1 62a_100000751502_100000053229 [0,0,0,0,0,1|2,0,0]=3 875 B11R1.172 CC(=O)CCSc1nc[nH]n1 62a_100000053229_100000761765 [0,0,0,0,0,1|2,0,0]=3 876 B11R1.172 CC(=O)CCSc1nc[nH]n1 62a_100000761765_100000053229 [0,0,0,0,0,1|2,0,0]=3 877 B11R1.172 CC(=O)CCSc1ncc[nH]1 62a_100000053229_100025796157 [0,0,0,0,0,1|3,0,0]=4 878 B11R1.172 CC(=O)CCSc1ncc[nH]1 62a_100025796157_100000053229 [0,0,0,0,0,1|3,0,0]=4 879 B11R1.172 CC(=O)CCSc1ncco1 62a_100000053229_100011787736 [0,0,0,0,0,1|3,0,0]=4 880 B11R1.172 CC(=O)CCSc1ncco1 62a_100011787736_100000053229 [0,0,0,0,0,1|3,0,0]=4 881 B11R1.172 CC(=O)CCSc1nccs1 62a_100000053229_100000211983 [0,0,0,0,0,1|3,0,0]=4 882 B11R1.172 CC(=O)CCSc1nccs1 62a_100000211983_100000053229 [0,0,0,0,0,1|3,0,0]=4 883 B11R1.172 CC(=O)CCSc1ncns1 62a_100000053229_100000693119 [0,0,0,0,0,1|2,0,1]=4 884 B11R1.172 CC(=O)CCSc1ncns1 62a_100000693119_100000053229 [0,0,0,0,0,1|2,0,1]=4 885 B11R1.172 CC(=O)COCc1c[nH]cn1 34a_100000211253_100000707719 [0,0,0,0,0,1|1,0,0]=2 886 B11R1.172 CC(=O)COCc1ccon1 34a_100000211253_100000234950 [0,0,0,0,0,1|3,0,0]=4 887 B11R1.172 CC(=O)COCc1ccsc1 34a_100000211253_100011261437 [0,0,0,0,0,1|3,0,0]=4 888 B11R1.172 CC(=O)COCc1cncs1 34a_100000211253_100015185245 [0,0,0,0,0,1|2,0,1]=4 889 B11R1.172 CC(=O)COCc1cscn1 34a_100000211253_100000205941 [0,0,0,0,0,1|2,0,0]=3 890 B11R1.172 CC(=O)COCc1ncc[nH]1 34a_100000211253_100016991755 [0,0,0,0,0,1|3,0,0]=4 891 B11R1.172 CC(=O)COCc1ncco1 34a_100000211253_103436540062 [0,0,0,0,0,1|3,0,0]=4 892 B11R1.172 CC(=O)COCc1nccs1 34a_100000211253_100015184050 [0,0,0,0,0,1|3,0,0]=4 893 B11R1.172 CC(=O)COCc1ncon1 34a_100000211253_100000233494 [0,0,0,0,0,1|3,0,0]=4 894 B11R1.172 CC(=O)COCn1cncn1 34a_100000211253_200020645497 [0,0,0,0,0,1|2,0,1]=4 895 B11R1.172 CC(=O)NCCc1c[nH]cn1 11a_100000755092_100015343762 [0,0,0,0,0,1|1,0,0]=2 896 B11R1.172 CC(=O)NCCc1c[nH]cn1 527a_100000755092_100103153847 [0,0,0,0,0,1|1,0,0]=2 897 B11R1.172 CC(=O)NCCc1ccco1 11a_100000694680_100015343762 [0,0,0,0,0,1|3,0,0]=4 898 B11R1.172 CC(=O)NCCc1ccco1 1626a_100000694680_100015343762 [0,0,0,0,0,1|3,0,0]=4 899 B11R1.172 CC(=O)NCCc1ccco1 240690a_100000694680_100015343762 [0,0,0,0,0,1|3,0,0]=4 900 B11R1.172 CC(=O)NCCc1ccco1 527a_100000694680_100103153847 [0,0,0,0,0,1|3,0,0]=4 901 B11R1.172 CC(=O)NCCc1cccs1 11a_100000203755_100015343762 [0,0,0,0,0,1|3,0,0]=4 902 B11R1.172 CC(=O)NCCc1cccs1 1626a_100000203755_100015343762 [0,0,0,0,0,1|3,0,0]=4 903 B11R1.172 CC(=O)NCCc1cccs1 240690a_100000203755_100015343762 [0,0,0,0,0,1|3,0,0]=4 904 B11R1.172 CC(=O)NCCc1cccs1 527a_100000203755_100103153847 [0,0,0,0,0,1|3,0,0]=4 905 B11R1.172 CC(=O)NCCc1ccsc1 11a_100000692642_100015343762 [0,0,0,0,0,1|3,0,0]=4 906 B11R1.172 CC(=O)NCCc1ccsc1 1626a_100000692642_100015343762 [0,0,0,0,0,1|3,0,0]=4 907 B11R1.172 CC(=O)NCCc1ccsc1 240690a_100000692642_100015343762 [0,0,0,0,0,1|3,0,0]=4 908 B11R1.172 CC(=O)NCCc1ccsc1 527a_100000692642_100103153847 [0,0,0,0,0,1|3,0,0]=4 909 B11R1.172 CC(=O)NCCc1cn[nH]c1 240690a_100000732747_100015343762 [0,0,0,0,0,1|3,0,0]=4 910 B11R1.172 CC(=O)NCCc1cn[nH]c1 527a_100000732747_100103153847 [0,0,0,0,0,1|3,0,0]=4 911 B11R1.172 CC(=O)NCCc1cncs1 11a_100016991637_100015343762 [0,0,0,0,0,1|2,0,1]=4 912 B11R1.172 CC(=O)NCCc1cncs1 1626a_100016991637_100015343762 [0,0,0,0,0,1|2,0,1]=4 913 B11R1.172 CC(=O)NCCc1cncs1 240690a_100016991637_100015343762 [0,0,0,0,0,1|2,0,1]=4 914 B11R1.172 CC(=O)NCCc1cncs1 527a_100016991637_100103153847 [0,0,0,0,0,1|2,0,1]=4 915 B11R1.172 CC(=O)NCCc1ncc[nH]1 11a_100000754300_100015343762 [0,0,0,0,0,1|3,0,0]=4 916 B11R1.172 CC(=O)NCCc1ncc[nH]1 240690a_100000754300_100015343762 [0,0,0,0,0,1|3,0,0]=4 917 B11R1.172 CC(=O)NCCc1ncc[nH]1 527a_100000754300_100103153847 [0,0,0,0,0,1|3,0,0]=4 918 B11R1.172 CC(=O)NCCc1nccs1 11a_100015186391_100015343762 [0,0,0,0,0,1|3,0,0]=4 919 B11R1.172 CC(=O)NCCc1nccs1 1626a_100015186391_100015343762 [0,0,0,0,0,1|3,0,0]=4 920 B11R1.172 CC(=O)NCCc1nccs1 240690a_100015186391_100015343762 [0,0,0,0,0,1|3,0,0]=4 921 B11R1.172 CC(=O)NCCc1nccs1 527a_100015186391_100103153847 [0,0,0,0,0,1|3,0,0]=4 922 B11R1.172 CC(=O)NCCn1cccn1 11a_100011200920_100015343762 [0,0,0,0,0,1|3,0,0]=4 923 B11R1.172 CC(=O)NCCn1cccn1 240690a_100011200920_100015343762 [0,0,0,0,0,1|3,0,0]=4 924 B11R1.172 CC(=O)NCCn1cccn1 527a_100011200920_100103153847 [0,0,0,0,0,1|3,0,0]=4 925 B11R1.172 CC(=O)NCCn1cncn1 11a_200000738561_100015343762 [0,0,0,0,0,1|2,0,1]=4 926 B11R1.172 CC(=O)NCCn1cncn1 240690a_200000738561_100015343762 [0,0,0,0,0,1|2,0,1]=4 927 B11R1.172 CC(=O)OCSc1c[nH]cn1 62a_100000076356_100000756875 [0,0,0,0,0,1|2,0,0]=3 928 B11R1.172 CC(=O)OCSc1c[nH]cn1 62a_100000756875_100000076356 [0,0,0,0,0,1|2,0,0]=3 929 B11R1.172 CC(=O)OCSc1c[nH]nn1 62a_100000076356_100009819707 [0,0,0,0,0,1|3,0,0]=4 930 B11R1.172 CC(=O)OCSc1c[nH]nn1 62a_100009819707_100000076356 [0,0,0,0,0,1|3,0,0]=4 931 B11R1.172 CC(=O)OCSc1cscn1 62a_100000076356_100000751502 [0,0,0,0,0,1|3,0,0]=4 932 B11R1.172 CC(=O)OCSc1cscn1 62a_100000751502_100000076356 [0,0,0,0,0,1|3,0,0]=4 933 B11R1.172 CC(=O)OCSc1nc[nH]n1 62a_100000076356_100000761765 [0,0,0,0,0,1|3,0,0]=4 934 B11R1.172 CC(=O)OCSc1nc[nH]n1 62a_100000761765_100000076356 [0,0,0,0,0,1|3,0,0]=4 935 B11R1.172 CC(Br)COCc1c[nH]cn1 34a_100012180447_100000707719 [0,0,0,0,0,1|2,0,1]=4 936 B11R1.172 CC(C)CCSc1c[nH]cn1 62a_100000210312_100000756875 [0,0,0,0,0,1|2,0,1]=4 937 B11R1.172 CC(C)CCSc1c[nH]cn1 62a_100000756875_100000210312 [0,0,0,0,0,1|2,0,1]=4 938 B11R1.172 CC(C)CNCc1c[nH]cn1 2230a_100000210953_100000707719 [0,0,0,0,0,1|2,0,1]=4 939 B11R1.172 CC(C)CNCc1c[nH]cn1 34a_100000210953_100000707719 [0,0,0,0,0,1|2,0,1]=4 940 B11R1.172 CC(C)COCc1c[nH]cn1 34a_100000210257_100000707719 [0,0,0,0,0,1|2,0,1]=4 941 B11R1.172 CC(C)CSCc1c[nH]cn1 62a_100000210624_100000707719 [0,0,0,0,0,1|2,0,1]=4 942 B11R1.172 CC(C)CSCc1c[nH]cn1 62a_100000707719_100000210760 [0,0,0,0,0,1|2,0,1]=4 943 B11R1.172 CC(C)NCCc1c[nH]cn1 2230a_100138425928_100020628418 [0,0,0,0,0,1|2,0,1]=4 944 B11R1.172 CC(C)SCCc1c[nH]cn1 62a_100000210206_100020628418 [0,0,0,0,0,1|2,0,1]=4 945 B11R1.172 CC(C)SCCc1c[nH]cn1 62a_100020628418_100000210206 [0,0,0,0,0,1|2,0,1]=4 946 B11R1.172 CC(F)COCc1c[nH]cn1 34a_100015925927_100000707719 [0,0,0,0,0,1|2,0,1]=4 947 B11R1.172 CC(O)CCSc1c[nH]cn1 62a_100000756875_100012276601 [0,0,0,0,0,1|1,0,1]=3 948 B11R1.172 CC(O)CCSc1c[nH]cn1 62a_100012276601_100000756875 [0,0,0,0,0,1|1,0,1]=3 949 B11R1.172 CC(O)CCSc1c[nH]nn1 62a_100009819707_100012276601 [0,0,0,0,0,1|2,0,1]=4 950 B11R1.172 CC(O)CCSc1c[nH]nn1 62a_100012276601_100009819707 [0,0,0,0,0,1|2,0,1]=4 951 B11R1.172 CC(O)CCSc1cscn1 62a_100000751502_100012276601 [0,0,0,0,0,1|2,0,1]=4 952 B11R1.172 CC(O)CCSc1cscn1 62a_100012276601_100000751502 [0,0,0,0,0,1|2,0,1]=4 953 B11R1.172 CC(O)CCSc1nc[nH]n1 62a_100000761765_100012276601 [0,0,0,0,0,1|2,0,1]=4 954 B11R1.172 CC(O)CCSc1nc[nH]n1 62a_100012276601_100000761765 [0,0,0,0,0,1|2,0,1]=4 955 B11R1.172 CC(O)CNCc1c[nH]cn1 2230a_100000210904_100000707719 [0,0,0,0,0,1|1,0,1]=3 956 B11R1.172 CC(O)CNCc1c[nH]cn1 34a_100000210904_100000707719 [0,0,0,0,0,1|1,0,1]=3 957 B11R1.172 CC(O)CNCc1cocn1 270004a_100000210904_100000050382 [0,0,0,0,0,1|2,0,1]=4 958 B11R1.172 CC(O)CNCc1cscn1 207a_100000210904_100000743575 [0,0,0,0,0,1|2,0,1]=4 959 B11R1.172 CC(O)CNCc1cscn1 2230a_100000210904_100000205941 [0,0,0,0,0,1|2,0,1]=4 960 B11R1.172 CC(O)CNCc1cscn1 2230a_100015185402_100011218427 [0,0,0,0,0,1|2,0,1]=4 961 B11R1.172 CC(O)CNCc1cscn1 270004a_100000210904_100000743575 [0,0,0,0,0,1|2,0,1]=4 962 B11R1.172 CC(O)CNCc1cscn1 34a_100000210904_100000205941 [0,0,0,0,0,1|2,0,1]=4 963 B11R1.172 CC(O)CSCc1c[nH]cn1 62a_100000707719_100011218427 [0,0,0,0,0,1|1,0,1]=3 964 B11R1.172 CC(O)CSCc1c[nH]cn1 62a_100011218427_100000707719 [0,0,0,0,0,1|1,0,1]=3 965 B11R1.172 CC(O)CSCc1cscn1 62a_100000205941_100011218427 [0,0,0,0,0,1|2,0,1]=4 966 B11R1.172 CC(O)CSCc1cscn1 62a_100011218427_100000205941 [0,0,0,0,0,1|2,0,1]=4 967 B11R1.172 CN(C)CCSc1c[nH]cn1 62a_100000756875_100000755713 [0,0,0,0,0,1|3,0,0]=4 968 B11R1.172 C[C@@H](Cl)COCc1c[nH]cn1 34a_100016084084_100000707719 [0,0,0,0,0,1|2,0,1]=4 969 B11R1.172 C[C@@H](N)COCc1c[nH]cn1 34a_100000737577_100000707719 [0,0,0,0,0,1|2,0,1]=4 970 B11R1.172 C[C@@H](O)CNCc1cscn1 2230a_100015185402_100009817552 [0,0,0,0,0,1|2,0,1]=4 971 B11R1.172 C[C@@H](O)CSCc1c[nH]cn1 62a_100000707719_100009817552 [0,0,0,0,0,1|1,0,1]=3 972 B11R1.172 C[C@@H](O)CSCc1c[nH]cn1 62a_100009817552_100000707719 [0,0,0,0,0,1|1,0,1]=3 973 B11R1.172 C[C@@H](O)CSCc1cscn1 62a_100000205941_100009817552 [0,0,0,0,0,1|2,0,1]=4 974 B11R1.172 C[C@@H](O)CSCc1cscn1 62a_100009817552_100000205941 [0,0,0,0,0,1|2,0,1]=4 975 B11R1.172 FC(F)CNCc1c[nH]cn1 34a_100000765723_100000707719 [0,0,0,0,0,1|2,0,1]=4 976 B11R1.172 FC(F)COCc1c[nH]cn1 34a_100000743014_100000707719 [0,0,0,0,0,1|2,0,1]=4 977 B11R1.172 FC(F)CSCc1c[nH]cn1 62a_100000707719_100011934356 [0,0,0,0,0,1|2,0,1]=4 978 B11R1.172 FC(F)CSCc1c[nH]cn1 62a_100011934356_100000707719 [0,0,0,0,0,1|2,0,1]=4 979 B11R1.172 NC(=O)CCNc1ncns1 27a_100000740010_100000693119 [0,0,0,0,0,1|2,0,1]=4 980 B11R1.172 NC(=O)CCOc1ccsc1 34a_100000106738_100000731001 [0,0,0,0,0,1|3,0,0]=4 981 B11R1.172 NC(=O)CCOc1ccsc1 7a_100000106738_100000744528 [0,0,0,0,0,1|3,0,0]=4 982 B11R1.172 NC(=O)CCSc1c[nH]cn1 62a_100000744528_100000756875 [0,0,0,0,0,1|1,0,0]=2 983 B11R1.172 NC(=O)CCSc1c[nH]cn1 62a_100000756875_100000744528 [0,0,0,0,0,1|1,0,0]=2 984 B11R1.172 NC(=O)CCSc1c[nH]nn1 62a_100000744528_100009819707 [0,0,0,0,0,1|2,0,0]=3 985 B11R1.172 NC(=O)CCSc1c[nH]nn1 62a_100009819707_100000744528 [0,0,0,0,0,1|2,0,0]=3 986 B11R1.172 NC(=O)CCSc1cc[nH]n1 62a_100000062575_100000744528 [0,0,0,0,0,1|3,0,0]=4 987 B11R1.172 NC(=O)CCSc1cc[nH]n1 62a_100000744528_100000062575 [0,0,0,0,0,1|3,0,0]=4 988 B11R1.172 NC(=O)CCSc1ccco1 62a_100000744528_100009814098 [0,0,0,0,0,1|3,0,0]=4 989 B11R1.172 NC(=O)CCSc1ccco1 62a_100009814098_100000744528 [0,0,0,0,0,1|3,0,0]=4 990 B11R1.172 NC(=O)CCSc1cccs1 62a_100000744528_100011215356 [0,0,0,0,0,1|3,0,0]=4 991 B11R1.172 NC(=O)CCSc1cccs1 62a_100011215356_100000744528 [0,0,0,0,0,1|3,0,0]=4 992 B11R1.172 NC(=O)CCSc1ccoc1 62a_100000744528_100011215275 [0,0,0,0,0,1|3,0,0]=4 993 B11R1.172 NC(=O)CCSc1ccoc1 62a_100011215275_100000744528 [0,0,0,0,0,1|3,0,0]=4 994 B11R1.172 NC(=O)CCSc1ccon1 62a_100000744528_100009818083 [0,0,0,0,0,1|3,0,0]=4 995 B11R1.172 NC(=O)CCSc1ccon1 62a_100009818083_100000744528 [0,0,0,0,0,1|3,0,0]=4 996 B11R1.172 NC(=O)CCSc1ccsc1 62a_100000738268_100000744528 [0,0,0,0,0,1|3,0,0]=4 997 B11R1.172 NC(=O)CCSc1ccsc1 62a_100000744528_100000738268 [0,0,0,0,0,1|3,0,0]=4 998 B11R1.172 NC(=O)CCSc1ccsn1 62a_100000744528_100009818082 [0,0,0,0,0,1|3,0,0]=4 999 B11R1.172 NC(=O)CCSc1ccsn1 62a_100009818082_100000744528 [0,0,0,0,0,1|3,0,0]=4 1000 B11R1.172 NC(=O)CCSc1cn[nH]c1 62a_100000238712_100000744528 [0,0,0,0,0,1|3,0,0]=4 1001 B11R1.172 NC(=O)CCSc1cn[nH]c1 62a_100000744528_100000238712 [0,0,0,0,0,1|3,0,0]=4 1002 B11R1.172 NC(=O)CCSc1cnco1 62a_100000744528_100020591547 [0,0,0,0,0,1|2,0,1]=4 1003 B11R1.172 NC(=O)CCSc1cnco1 62a_100020591547_100000744528 [0,0,0,0,0,1|2,0,1]=4 1004 B11R1.172 NC(=O)CCSc1cncs1 62a_100000744528_100011934649 [0,0,0,0,0,1|2,0,1]=4 1005 B11R1.172 NC(=O)CCSc1cncs1 62a_100011934649_100000744528 [0,0,0,0,0,1|2,0,1]=4 1006 B11R1.172 NC(=O)CCSc1cscn1 62a_100000744528_100000751502 [0,0,0,0,0,1|2,0,0]=3 1007 B11R1.172 NC(=O)CCSc1cscn1 62a_100000751502_100000744528 [0,0,0,0,0,1|2,0,0]=3 1008 B11R1.172 NC(=O)CCSc1nc[nH]n1 62a_100000744528_100000761765 [0,0,0,0,0,1|2,0,0]=3 1009 B11R1.172 NC(=O)CCSc1nc[nH]n1 62a_100000761765_100000744528 [0,0,0,0,0,1|2,0,0]=3 1010 B11R1.172 NC(=O)CCSc1ncc[nH]1 62a_100000744528_100025796157 [0,0,0,0,0,1|3,0,0]=4 1011 B11R1.172 NC(=O)CCSc1ncc[nH]1 62a_100025796157_100000744528 [0,0,0,0,0,1|3,0,0]=4 1012 B11R1.172 NC(=O)CCSc1ncco1 62a_100000744528_100011787736 [0,0,0,0,0,1|3,0,0]=4 1013 B11R1.172 NC(=O)CCSc1ncco1 62a_100011787736_100000744528 [0,0,0,0,0,1|3,0,0]=4 1014 B11R1.172 NC(=O)CCSc1nccs1 62a_100000211983_100000744528 [0,0,0,0,0,1|3,0,0]=4 1015 B11R1.172 NC(=O)CCSc1nccs1 62a_100000744528_100000211983 [0,0,0,0,0,1|3,0,0]=4 1016 B11R1.172 NC(=O)CCSc1ncns1 62a_100000693119_100000744528 [0,0,0,0,0,1|2,0,1]=4 1017 B11R1.172 NC(=O)CCSc1ncns1 62a_100000744528_100000693119 [0,0,0,0,0,1|2,0,1]=4 1018 B11R1.172 NC(=O)CNCc1c[nH]cn1 2230a_100000711301_100000707719 [0,0,0,0,0,1|1,0,0]=2 1019 B11R1.172 NC(=O)CNCc1ccco1 2230a_100000185738_100000747473 [0,0,0,0,0,1|3,0,0]=4 1020 B11R1.172 NC(=O)CNCc1ccco1 34a_100000185738_100000187820 [0,0,0,0,0,1|3,0,0]=4 1021 B11R1.172 NC(=O)CNCc1cccs1 2230a_100000211653_100000747473 [0,0,0,0,0,1|3,0,0]=4 1022 B11R1.172 NC(=O)CNCc1ccoc1 2230a_100015206860_100000747473 [0,0,0,0,0,1|3,0,0]=4 1023 B11R1.172 NC(=O)CNCc1ccoc1 34a_100015206860_100000187820 [0,0,0,0,0,1|3,0,0]=4 1024 B11R1.172 NC(=O)CNCc1ccon1 2230a_100000711301_100000234950 [0,0,0,0,0,1|3,0,0]=4 1025 B11R1.172 NC(=O)CNCc1ccsc1 2230a_100000186416_100000747473 [0,0,0,0,0,1|3,0,0]=4 1026 B11R1.172 NC(=O)CNCc1ccsc1 2230a_100000711301_100011261437 [0,0,0,0,0,1|3,0,0]=4 1027 B11R1.172 NC(=O)CNCc1ccsc1 34a_100000186416_100000187820 [0,0,0,0,0,1|3,0,0]=4 1028 B11R1.172 NC(=O)CNCc1cncs1 2230a_100000711301_100015185245 [0,0,0,0,0,1|2,0,1]=4 1029 B11R1.172 NC(=O)CNCc1cncs1 2230a_100016987365_100000747473 [0,0,0,0,0,1|2,0,1]=4 1030 B11R1.172 NC(=O)CNCc1cscn1 2230a_100000711301_100000205941 [0,0,0,0,0,1|2,0,0]=3 1031 B11R1.172 NC(=O)CNCc1cscn1 2230a_100015185402_100000747473 [0,0,0,0,0,1|2,0,0]=3 1032 B11R1.172 NC(=O)CNCc1ncc[nH]1 2230a_100000711301_100016991755 [0,0,0,0,0,1|3,0,0]=4 1033 B11R1.172 NC(=O)CNCc1ncco1 2230a_100000711301_103436540062 [0,0,0,0,0,1|3,0,0]=4 1034 B11R1.172 NC(=O)CNCc1ncco1 2230a_100016994969_100000747473 [0,0,0,0,0,1|3,0,0]=4 1035 B11R1.172 NC(=O)CNCc1nccs1 2230a_100000711301_100015184050 [0,0,0,0,0,1|3,0,0]=4 1036 B11R1.172 NC(=O)CNCc1nccs1 2230a_100000740555_100000747473 [0,0,0,0,0,1|3,0,0]=4 1037 B11R1.172 NC(=O)CNCn1cncn1 2230a_100000711301_200020645497 [0,0,0,0,0,1|2,0,1]=4 1038 B11R1.172 NC(=O)COCc1ccco1 34a_100000210059_100000187820 [0,0,0,0,0,1|3,0,0]=4 1039 B11R1.172 NC(=O)COCc1cccs1 34a_100000211240_100000187820 [0,0,0,0,0,1|3,0,0]=4 1040 B11R1.172 NC(=O)COCc1ccoc1 34a_100011215357_100000187820 [0,0,0,0,0,1|3,0,0]=4 1041 B11R1.172 NC(=O)COCc1ccsc1 34a_100011215551_100000187820 [0,0,0,0,0,1|3,0,0]=4 1042 B11R1.172 NC(=O)COCc1ncco1 34a_100000062594_100000187820 [0,0,0,0,0,1|3,0,0]=4 1043 B11R1.172 NC(=O)COCn1cccn1 34a_100000731028_100000187820 [0,0,0,0,0,1|3,0,0]=4 1044 B11R1.172 NC(=O)CSCc1c[nH]cn1 62a_100000707719_100000747473 [0,0,0,0,0,1|1,0,0]=2 1045 B11R1.172 NC(=O)CSCc1c[nH]cn1 62a_100000747473_100000707719 [0,0,0,0,0,1|1,0,0]=2 1046 B11R1.172 NC(=O)CSCc1ccon1 62a_100000234950_100000747473 [0,0,0,0,0,1|3,0,0]=4 1047 B11R1.172 NC(=O)CSCc1ccon1 62a_100000747473_100000234950 [0,0,0,0,0,1|3,0,0]=4 1048 B11R1.172 NC(=O)CSCc1ccsc1 62a_100000747473_100011233845 [0,0,0,0,0,1|3,0,0]=4 1049 B11R1.172 NC(=O)CSCc1ccsc1 62a_100011261437_100000747473 [0,0,0,0,0,1|3,0,0]=4 1050 B11R1.172 NC(=O)CSCc1cncs1 62a_100000747473_100015185245 [0,0,0,0,0,1|2,0,1]=4 1051 B11R1.172 NC(=O)CSCc1cncs1 62a_100015185245_100000747473 [0,0,0,0,0,1|2,0,1]=4 1052 B11R1.172 NC(=O)CSCc1cscn1 62a_100000205941_100000747473 [0,0,0,0,0,1|2,0,0]=3 1053 B11R1.172 NC(=O)CSCc1cscn1 62a_100000747473_100000205941 [0,0,0,0,0,1|2,0,0]=3 1054 B11R1.172 NC(=O)CSCc1ncc[nH]1 62a_100000747473_100016991755 [0,0,0,0,0,1|3,0,0]=4 1055 B11R1.172 NC(=O)CSCc1ncc[nH]1 62a_100016991755_100000747473 [0,0,0,0,0,1|3,0,0]=4 1056 B11R1.172 NC(=O)CSCc1ncco1 62a_100000747473_103436540062 [0,0,0,0,0,1|3,0,0]=4 1057 B11R1.172 NC(=O)CSCc1ncco1 62a_103436540062_100000747473 [0,0,0,0,0,1|3,0,0]=4 1058 B11R1.172 NC(=O)CSCc1nccs1 62a_100000747473_100015184050 [0,0,0,0,0,1|3,0,0]=4 1059 B11R1.172 NC(=O)CSCc1nccs1 62a_100015184050_100000747473 [0,0,0,0,0,1|3,0,0]=4 1060 B11R1.172 NC(=O)CSCc1ncon1 62a_100000233494_100000747473 [0,0,0,0,0,1|3,0,0]=4 1061 B11R1.172 NC(=O)CSCc1ncon1 62a_100000747473_100000233494 [0,0,0,0,0,1|3,0,0]=4 1062 B11R1.172 NC(=O)CSCn1cncn1 62a_100000747473_200020645497 [0,0,0,0,0,1|2,0,1]=4 1063 B11R1.172 NC(=O)CSCn1cncn1 62a_200020645497_100000747473 [0,0,0,0,0,1|2,0,1]=4 1064 B11R1.172 O=C(O)CNCC1=NCCN1 269956a_100016091260_100000737910 [0,0,0,0,0,1|2,0,1]=4 1065 B11R1.172 O=C(O)CNCc1c[nH]cn1 269956a_100016091260_100000707719 [0,0,0,0,0,1|0,0,0]=1 1066 B11R1.172 O=C(O)CNCc1ccn[nH]1 269956a_100016091260_100000728653 [0,0,0,0,0,1|2,0,1]=4 1067 B11R1.172 O=C(O)CNCc1ccon1 269956a_100016091260_100000234950 [0,0,0,0,0,1|2,0,0]=3 1068 B11R1.172 O=C(O)CNCc1ccsc1 269956a_100016091260_100011261437 [0,0,0,0,0,1|2,0,0]=3 1069 B11R1.172 O=C(O)CNCc1cncs1 269956a_100016091260_100015185245 [0,0,0,0,0,1|1,0,1]=3 1070 B11R1.172 O=C(O)CNCc1cscn1 269956a_100016091260_100000205941 [0,0,0,0,0,1|1,0,0]=2 1071 B11R1.172 O=C(O)CNCc1ncc[nH]1 269956a_100016091260_100000753453 [0,0,0,0,0,1|2,0,0]=3 1072 B11R1.172 O=C(O)CNCc1ncco1 269956a_100016091260_103436540062 [0,0,0,0,0,1|2,0,0]=3 1073 B11R1.172 O=C(O)CNCc1nccs1 269956a_100016091260_100015184050 [0,0,0,0,0,1|2,0,0]=3 1074 B11R1.172 O=C(O)CNCc1ncon1 269956a_100016091260_100000233494 [0,0,0,0,0,1|2,0,0]=3 1075 B11R1.172 O=C(O)CNCc1nnn[nH]1 269956a_100016091260_100000765167 [0,0,0,0,0,1|2,0,1]=4 1076 B11R1.172 O=C(O)CNCn1cncn1 269956a_100016091260_200020645497 [0,0,0,0,0,1|1,0,1]=3 1077 B11R1.172 O=C([O-])CNCc1ccco1 34a_100000185738_100020667443 [0,0,0,0,0,1|2,0,1]=4 1078 B11R1.172 O=C([O-])CNCc1ccoc1 34a_100015206860_100020667443 [0,0,0,0,0,1|2,0,1]=4 1079 B11R1.172 O=C([O-])CNCc1ccsc1 34a_100000186416_100020667443 [0,0,0,0,0,1|2,0,1]=4 1080 B11R1.172 O=C([O-])COCc1ccco1 34a_100000210059_100020667443 [0,0,0,0,0,1|2,0,1]=4 1081 B11R1.172 O=C([O-])COCc1cccs1 34a_100000211240_100020667443 [0,0,0,0,0,1|2,0,1]=4 1082 B11R1.172 O=C([O-])COCc1ccoc1 34a_100011215357_100020667443 [0,0,0,0,0,1|2,0,1]=4 1083 B11R1.172 O=C([O-])COCc1ccsc1 34a_100011215551_100020667443 [0,0,0,0,0,1|2,0,1]=4 1084 B11R1.172 O=C([O-])COCc1ncco1 34a_100000062594_100020667443 [0,0,0,0,0,1|2,0,1]=4 1085 B11R1.172 O=C([O-])COCn1cccn1 34a_100000731028_100020667443 [0,0,0,0,0,1|2,0,1]=4 1086 B11R1.172 O=C([O-])CSCc1c[nH]cn1 62a_100000707719_100020667443 [0,0,0,0,0,1|0,0,1]=2 1087 B11R1.172 O=C([O-])CSCc1c[nH]cn1 62a_100020667443_100000707719 [0,0,0,0,0,1|0,0,1]=2 1088 B11R1.172 O=C([O-])CSCc1ccon1 62a_100000234950_100020667443 [0,0,0,0,0,1|2,0,1]=4 1089 B11R1.172 O=C([O-])CSCc1ccon1 62a_100020667443_100000234950 [0,0,0,0,0,1|2,0,1]=4 1090 B11R1.172 O=C([O-])CSCc1ccsc1 62a_100011261437_100020667443 [0,0,0,0,0,1|2,0,1]=4 1091 B11R1.172 O=C([O-])CSCc1ccsc1 62a_100020667443_100011233845 [0,0,0,0,0,1|2,0,1]=4 1092 B11R1.172 O=C([O-])CSCc1cncs1 62a_100015185245_100020667443 [0,0,0,0,0,1|1,0,2]=4 1093 B11R1.172 O=C([O-])CSCc1cncs1 62a_100020667443_100015185245 [0,0,0,0,0,1|1,0,2]=4 1094 B11R1.172 O=C([O-])CSCc1cscn1 62a_100000205941_100020667443 [0,0,0,0,0,1|1,0,1]=3 1095 B11R1.172 O=C([O-])CSCc1cscn1 62a_100020667443_100000205941 [0,0,0,0,0,1|1,0,1]=3 1096 B11R1.172 O=C([O-])CSCc1ncc[nH]1 62a_100016991755_100020667443 [0,0,0,0,0,1|2,0,1]=4 1097 B11R1.172 O=C([O-])CSCc1ncc[nH]1 62a_100020667443_100016991755 [0,0,0,0,0,1|2,0,1]=4 1098 B11R1.172 O=C([O-])CSCc1ncco1 62a_100020667443_103436540062 [0,0,0,0,0,1|2,0,1]=4 1099 B11R1.172 O=C([O-])CSCc1ncco1 62a_103436540062_100020667443 [0,0,0,0,0,1|2,0,1]=4 1100 B11R1.172 O=C([O-])CSCc1nccs1 62a_100015184050_100020667443 [0,0,0,0,0,1|2,0,1]=4 1101 B11R1.172 O=C([O-])CSCc1nccs1 62a_100020667443_100015184050 [0,0,0,0,0,1|2,0,1]=4 1102 B11R1.172 O=C([O-])CSCc1ncon1 62a_100000233494_100020667443 [0,0,0,0,0,1|2,0,1]=4 1103 B11R1.172 O=C([O-])CSCc1ncon1 62a_100020667443_100000233494 [0,0,0,0,0,1|2,0,1]=4 1104 B11R1.172 O=C([O-])CSCn1cncn1 62a_100020667443_200020645497 [0,0,0,0,0,1|1,0,2]=4 1105 B11R1.172 O=C([O-])CSCn1cncn1 62a_200020645497_100020667443 [0,0,0,0,0,1|1,0,2]=4 1106 B11R1.172 O=[N+]([O-])CSCc1c[nH]cn1 62a_100000707719_100000761209 [0,0,0,0,0,1|1,0,1]=3 1107 B11R1.172 O=[N+]([O-])CSCc1cscn1 62a_100000205941_100000761209 [0,0,0,0,0,1|2,0,1]=4 1108 B11R1.172 [13CH3]C(=O)CCCc1cccs1 1458a_100000184482_200025704644 [0,0,0,0,0,1|3,0,0]=4 1109 B11R1.172 [13CH3]C(=O)CCCn1cccn1 1458a_100000742828_200025704644 [0,0,0,0,0,1|3,0,0]=4 1110 B11R1.172 [13CH3]C(=O)CCCn1cncn1 1458a_100015186313_200025704644 [0,0,0,0,0,1|2,0,1]=4 1111 B8R1.8 C=C=Cc1c[nH]cn1 271570a_100015277604_100000756875 [2,0,0,0,0,0|0,0,2]=4 1112 B8R1.8 CC=Cc1c[nH]cn1 271570a_100016259895_100000756875 [2,0,0,0,0,0|1,0,1]=4 1113 B8R1.8 CCSc1c[nH]cn1 62a_100000210202_100000756875 [2,0,0,0,0,0|1,0,1]=4 1114 B8R1.8 CCSc1c[nH]cn1 62a_100000756875_100000210202 [2,0,0,0,0,0|1,0,1]=4 1115 B8R1.8 CNCc1c[nH]cn1 2230a_106832991635_100000707719 [2,0,0,0,0,0|1,0,1]=4 1116 B8R1.8 CNCc1c[nH]cn1 34a_100102657272_100000707719 [2,0,0,0,0,0|1,0,1]=4 1117 B8R1.8 COCc1c[nH]cn1 34a_100138415774_100000707719 [2,0,0,0,0,0|1,0,1]=4 1118 B8R1.8 CSCc1c[nH]cn1 62a_100000707719_200000210301 [2,0,0,0,0,0|1,0,1]=4 1119 B8R1.8 CSCc1c[nH]cn1 62a_200000210301_100000707719 [2,0,0,0,0,0|1,0,1]=4 1120 B8R1.8 FCSc1c[nH]cn1 62a_100000756875_100015361967 [2,0,0,0,0,0|2,0,0]=4 1121 B8R1.8 FCSc1c[nH]cn1 62a_100015361967_100000756875 [2,0,0,0,0,0|2,0,0]=4 1122 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_100000707719_200025704644 [2,0,0,0,0,0|1,0,1]=4 1123 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_200025704644_100000707719 [2,0,0,0,0,0|1,0,1]=4 1124 B10R1.16 C=CCSc1c[nH]c(n1)C 62a_100000210623_100009814057 [1,1,0,0,0,0|2,0,0]=4 1125 B10R1.16 C=CCSc1c[nH]c(n1)C 62a_100009814057_100000210623 [1,1,0,0,0,0|2,0,0]=4 1126 B10R1.16 C=CCSc1cn(cn1)C 62a_100000040308_100000210623 [1,1,0,0,0,0|2,0,0]=4 1127 B10R1.16 C=CCSc1cn(cn1)C 62a_100000210623_100000040308 [1,1,0,0,0,0|2,0,0]=4 1128 B10R1.16 CCCCc1c[nH]c(n1)C 271570a_100020621405_100009814057 [1,1,0,0,0,0|1,0,1]=4 1129 B10R1.16 CCCCc1cn(cn1)C 271570a_100020621405_100000040308 [1,1,0,0,0,0|1,0,1]=4 1130 B10R1.16 Cc1nc(c[nH]1)SCC=O 62a_100009814057_200015260668 [1,1,0,0,0,0|1,0,0]=3 1131 B10R1.16 Cc1nc(c[nH]1)SCC=O 62a_200015260668_100009814057 [1,1,0,0,0,0|1,0,0]=3 1132 B10R1.16 Cc1nc(c[nH]1)SCCO 62a_100000211926_100009814057 [1,1,0,0,0,0|1,0,1]=4 1133 B10R1.16 Cc1nc(c[nH]1)SCCO 62a_100009814057_100000211926 [1,1,0,0,0,0|1,0,1]=4 1134 B10R1.16 Cc1nc(cs1)SCC=O 62a_100011934587_200015260668 [1,1,0,0,0,0|2,0,0]=4 1135 B10R1.16 Cc1nc(cs1)SCC=O 62a_200015260668_100011934587 [1,1,0,0,0,0|2,0,0]=4 1136 B10R1.16 Cc1nc(n[nH]1)SCC=O 62a_100000732540_200015260668 [1,1,0,0,0,0|2,0,0]=4 1137 B10R1.16 Cc1nc(n[nH]1)SCC=O 62a_200015260668_100000732540 [1,1,0,0,0,0|2,0,0]=4 1138 B10R1.16 Cn1cc(nn1)CCCO 274090a_200000210301_100000215630 [1,1,0,0,0,0|1,0,1]=4 1139 B10R1.16 Cn1cc(nn1)SCC=O 62a_100000760339_200015260668 [1,1,0,0,0,0|2,0,0]=4 1140 B10R1.16 Cn1cc(nn1)SCC=O 62a_200015260668_100000760339 [1,1,0,0,0,0|2,0,0]=4 1141 B10R1.16 Cn1cnc(c1)SCC=O 62a_100000040308_200015260668 [1,1,0,0,0,0|1,0,0]=3 1142 B10R1.16 Cn1cnc(c1)SCC=O 62a_200015260668_100000040308 [1,1,0,0,0,0|1,0,0]=3 1143 B10R1.16 Cn1cnc(c1)SCCO 62a_100000040308_100000211926 [1,1,0,0,0,0|1,0,1]=4 1144 B10R1.16 Cn1cnc(c1)SCCO 62a_100000211926_100000040308 [1,1,0,0,0,0|1,0,1]=4 1145 B10R1.16 Cn1cnc(n1)SCC=O 62a_100009819955_200015260668 [1,1,0,0,0,0|2,0,0]=4 1146 B10R1.16 Cn1cnc(n1)SCC=O 62a_200015260668_100009819955 [1,1,0,0,0,0|2,0,0]=4 1147 B10R1.16 Nc1nc(cs1)SCC=O 62a_100011998049_200015260668 [1,1,0,0,0,0|2,0,0]=4 1148 B10R1.16 Nc1nc(cs1)SCC=O 62a_200015260668_100011998049 [1,1,0,0,0,0|2,0,0]=4 1149 B10R1.16 Nc1nc(n[nH]1)SCC=O 62a_100015184587_200015260668 [1,1,0,0,0,0|2,0,0]=4 1150 B10R1.16 Nc1nc(n[nH]1)SCC=O 62a_200015260668_100015184587 [1,1,0,0,0,0|2,0,0]=4 1151 B10R1.16 [13CH3]n1cc(nn1)CCCO 274090a_200025704644_100000215630 [1,1,0,0,0,0|1,0,1]=4 1152 B10R1.21 BrCCOCc1c[nH]cn1 34a_100000211926_100000707719 [1,1,0,0,0,0|1,0,1]=4 1153 B10R1.21 C#CCCSc1c[nH]cn1 62a_100000688953_100000756875 [1,1,0,0,0,0|1,0,1]=4 1154 B10R1.21 C#CCCSc1c[nH]cn1 62a_100000756875_100000688953 [1,1,0,0,0,0|1,0,1]=4 1155 B10R1.21 C#CCNCc1c[nH]cn1 34a_100000212058_100000707719 [1,1,0,0,0,0|1,0,1]=4 1156 B10R1.21 C#CCOCc1c[nH]cn1 34a_100000210247_100000707719 [1,1,0,0,0,0|1,0,1]=4 1157 B10R1.21 C#CCSCc1c[nH]cn1 62a_100000038162_100000707719 [1,1,0,0,0,0|1,0,1]=4 1158 B10R1.21 C/C=C/CSc1c[nH]cn1 62a_100000756875_100102629194 [1,1,0,0,0,0|1,0,1]=4 1159 B10R1.21 C/C=C/CSc1c[nH]cn1 62a_100102629194_100000756875 [1,1,0,0,0,0|1,0,1]=4 1160 B10R1.21 C=CCCSc1c[nH]cn1 62a_100000754431_100000756875 [1,1,0,0,0,0|1,0,0]=3 1161 B10R1.21 C=CCCSc1c[nH]cn1 62a_100000756875_100000754431 [1,1,0,0,0,0|1,0,0]=3 1162 B10R1.21 C=CCCSc1c[nH]nn1 62a_100000754431_100009819707 [1,1,0,0,0,0|2,0,0]=4 1163 B10R1.21 C=CCCSc1c[nH]nn1 62a_100009819707_100000754431 [1,1,0,0,0,0|2,0,0]=4 1164 B10R1.21 C=CCCSc1cscn1 62a_100000751502_100000754431 [1,1,0,0,0,0|2,0,0]=4 1165 B10R1.21 C=CCCSc1cscn1 62a_100000754431_100000751502 [1,1,0,0,0,0|2,0,0]=4 1166 B10R1.21 C=CCCSc1nc[nH]n1 62a_100000754431_100000761765 [1,1,0,0,0,0|2,0,0]=4 1167 B10R1.21 C=CCCSc1nc[nH]n1 62a_100000761765_100000754431 [1,1,0,0,0,0|2,0,0]=4 1168 B10R1.21 C=CCNCc1c[nH]cn1 2230a_100020586998_100000707719 [1,1,0,0,0,0|1,0,0]=3 1169 B10R1.21 C=CCNCc1cocn1 270004a_100020586998_100000050382 [1,1,0,0,0,0|2,0,0]=4 1170 B10R1.21 C=CCNCc1cscn1 2230a_100015185402_100000210623 [1,1,0,0,0,0|2,0,0]=4 1171 B10R1.21 C=CCNCc1cscn1 2230a_100020586998_100000205941 [1,1,0,0,0,0|2,0,0]=4 1172 B10R1.21 C=CCNCc1cscn1 270004a_100020586998_100000743575 [1,1,0,0,0,0|2,0,0]=4 1173 B10R1.21 C=CCOCc1c[nH]cn1 34a_200000210373_100000707719 [1,1,0,0,0,0|1,0,0]=3 1174 B10R1.21 C=CCOCc1cscn1 34a_200000210373_100000205941 [1,1,0,0,0,0|2,0,0]=4 1175 B10R1.21 C=CCSCc1c[nH]cn1 62a_100000210623_100000707719 [1,1,0,0,0,0|1,0,0]=3 1176 B10R1.21 C=CCSCc1c[nH]cn1 62a_100000707719_100000210623 [1,1,0,0,0,0|1,0,0]=3 1177 B10R1.21 C=CCSCc1cscn1 62a_100000205941_100000210623 [1,1,0,0,0,0|2,0,0]=4 1178 B10R1.21 C=CCSCc1cscn1 62a_100000210623_100000205941 [1,1,0,0,0,0|2,0,0]=4 1179 B10R1.21 CC=CCSc1c[nH]cn1 62a_100000070051_100000756875 [1,1,0,0,0,0|1,0,1]=4 1180 B10R1.21 CC=CCSc1c[nH]cn1 62a_100000756875_100000070051 [1,1,0,0,0,0|1,0,1]=4 1181 B10R1.21 CCCCSc1c[nH]cn1 62a_100000210211_100000756875 [1,1,0,0,0,0|1,0,1]=4 1182 B10R1.21 CCCCSc1c[nH]cn1 62a_100000756875_100000210210 [1,1,0,0,0,0|1,0,1]=4 1183 B10R1.21 CCCOCc1c[nH]cn1 34a_100000210258_100000707719 [1,1,0,0,0,0|1,0,1]=4 1184 B10R1.21 CCCSCc1c[nH]cn1 62a_100000210303_100000707719 [1,1,0,0,0,0|1,0,1]=4 1185 B10R1.21 CCCSCc1c[nH]cn1 62a_100000707719_100000210303 [1,1,0,0,0,0|1,0,1]=4 1186 B10R1.21 CCNCCc1c[nH]cn1 2230a_100015525214_100020628418 [1,1,0,0,0,0|1,0,1]=4 1187 B10R1.21 CCSCCc1c[nH]cn1 62a_100000210202_100020628418 [1,1,0,0,0,0|1,0,1]=4 1188 B10R1.21 CCSCCc1c[nH]cn1 62a_100020628418_100000210202 [1,1,0,0,0,0|1,0,1]=4 1189 B10R1.21 COCCSc1c[nH]cn1 62a_100000233755_100000756875 [1,1,0,0,0,0|1,0,1]=4 1190 B10R1.21 COCCSc1c[nH]cn1 62a_100000756875_100000233755 [1,1,0,0,0,0|1,0,1]=4 1191 B10R1.21 COCSCc1c[nH]cn1 62a_100000707719_100000766300 [1,1,0,0,0,0|1,0,1]=4 1192 B10R1.21 COCSCc1c[nH]cn1 62a_100000766300_100000707719 [1,1,0,0,0,0|1,0,1]=4 1193 B10R1.21 CSCCSc1c[nH]cn1 62a_100000212216_100000756875 [1,1,0,0,0,0|2,0,0]=4 1194 B10R1.21 CSCCSc1c[nH]cn1 62a_100000756875_100000751147 [1,1,0,0,0,0|2,0,0]=4 1195 B10R1.21 CSCSCc1c[nH]cn1 62a_100000707719_100011218213 [1,1,0,0,0,0|2,0,0]=4 1196 B10R1.21 CSCSCc1c[nH]cn1 62a_100011218213_100000707719 [1,1,0,0,0,0|2,0,0]=4 1197 B10R1.21 FCCCSc1c[nH]cn1 62a_100000756875_100011934791 [1,1,0,0,0,0|1,0,1]=4 1198 B10R1.21 FCCCSc1c[nH]cn1 62a_100011934791_100000756875 [1,1,0,0,0,0|1,0,1]=4 1199 B10R1.21 FCCNCc1c[nH]cn1 34a_100000724931_100000707719 [1,1,0,0,0,0|1,0,1]=4 1200 B10R1.21 FCCSCc1c[nH]cn1 62a_100000707719_100011217306 [1,1,0,0,0,0|1,0,1]=4 1201 B10R1.21 FCCSCc1c[nH]cn1 62a_100011217306_100000707719 [1,1,0,0,0,0|1,0,1]=4 1202 B10R1.21 FCSCCc1c[nH]cn1 62a_100015361967_100020628418 [1,1,0,0,0,0|1,0,1]=4 1203 B10R1.21 FCSCCc1c[nH]cn1 62a_100020628418_100015361967 [1,1,0,0,0,0|1,0,1]=4 1204 B10R1.21 N#CCCSc1c[nH]cn1 62a_100000756875_100011215226 [1,1,0,0,0,0|1,0,1]=4 1205 B10R1.21 N#CCCSc1c[nH]cn1 62a_100011215226_100000756875 [1,1,0,0,0,0|1,0,1]=4 1206 B10R1.21 N#CCSCc1c[nH]cn1 62a_100000707719_100011215382 [1,1,0,0,0,0|1,0,1]=4 1207 B10R1.21 N#CCSCc1c[nH]cn1 62a_100011215382_100000707719 [1,1,0,0,0,0|1,0,1]=4 1208 B10R1.21 NCCOCc1c[nH]cn1 34a_100000210304_100000707719 [1,1,0,0,0,0|1,0,1]=4 1209 B10R1.21 O=CCNCc1ccco1 2230a_100000185738_200015260668 [1,1,0,0,0,0|2,0,0]=4 1210 B10R1.21 O=CCNCc1ccco1 34a_100000185738_200009817547 [1,1,0,0,0,0|2,0,0]=4 1211 B10R1.21 O=CCNCc1cccs1 2230a_100000211653_200015260668 [1,1,0,0,0,0|2,0,0]=4 1212 B10R1.21 O=CCNCc1ccoc1 2230a_100015206860_200015260668 [1,1,0,0,0,0|2,0,0]=4 1213 B10R1.21 O=CCNCc1ccoc1 34a_100015206860_200009817547 [1,1,0,0,0,0|2,0,0]=4 1214 B10R1.21 O=CCNCc1ccsc1 2230a_100000186416_200015260668 [1,1,0,0,0,0|2,0,0]=4 1215 B10R1.21 O=CCNCc1ccsc1 34a_100000186416_200009817547 [1,1,0,0,0,0|2,0,0]=4 1216 B10R1.21 O=CCNCc1cncs1 2230a_100016987365_200015260668 [1,1,0,0,0,0|1,0,1]=4 1217 B10R1.21 O=CCNCc1cscn1 2230a_100015185402_200015260668 [1,1,0,0,0,0|1,0,0]=3 1218 B10R1.21 O=CCNCc1ncco1 2230a_100016994969_200015260668 [1,1,0,0,0,0|2,0,0]=4 1219 B10R1.21 O=CCNCc1nccs1 2230a_100000740555_200015260668 [1,1,0,0,0,0|2,0,0]=4 1220 B10R1.21 O=CCOCc1ccco1 34a_100000210059_200009817547 [1,1,0,0,0,0|2,0,0]=4 1221 B10R1.21 O=CCOCc1cccs1 34a_100000211240_200009817547 [1,1,0,0,0,0|2,0,0]=4 1222 B10R1.21 O=CCOCc1ccoc1 34a_100011215357_200009817547 [1,1,0,0,0,0|2,0,0]=4 1223 B10R1.21 O=CCOCc1ccsc1 34a_100011215551_200009817547 [1,1,0,0,0,0|2,0,0]=4 1224 B10R1.21 O=CCOCc1ncco1 34a_100000062594_200009817547 [1,1,0,0,0,0|2,0,0]=4 1225 B10R1.21 O=CCOCn1cccn1 34a_100000731028_200009817547 [1,1,0,0,0,0|2,0,0]=4 1226 B10R1.21 O=CCSCc1c[nH]cn1 62a_100000707719_200015260668 [1,1,0,0,0,0|0,0,0]=2 1227 B10R1.21 O=CCSCc1c[nH]cn1 62a_200015260668_100000707719 [1,1,0,0,0,0|0,0,0]=2 1228 B10R1.21 O=CCSCc1ccon1 62a_100000234950_200015260668 [1,1,0,0,0,0|2,0,0]=4 1229 B10R1.21 O=CCSCc1ccon1 62a_200015260668_100000234950 [1,1,0,0,0,0|2,0,0]=4 1230 B10R1.21 O=CCSCc1ccsc1 62a_100011261437_200015260668 [1,1,0,0,0,0|2,0,0]=4 1231 B10R1.21 O=CCSCc1ccsc1 62a_200015260668_100011233845 [1,1,0,0,0,0|2,0,0]=4 1232 B10R1.21 O=CCSCc1cncs1 62a_100015185245_200015260668 [1,1,0,0,0,0|1,0,1]=4 1233 B10R1.21 O=CCSCc1cncs1 62a_200015260668_100015185245 [1,1,0,0,0,0|1,0,1]=4 1234 B10R1.21 O=CCSCc1cscn1 62a_100000205941_200015260668 [1,1,0,0,0,0|1,0,0]=3 1235 B10R1.21 O=CCSCc1cscn1 62a_200015260668_100000205941 [1,1,0,0,0,0|1,0,0]=3 1236 B10R1.21 O=CCSCc1ncc[nH]1 62a_100016991755_200015260668 [1,1,0,0,0,0|2,0,0]=4 1237 B10R1.21 O=CCSCc1ncc[nH]1 62a_200015260668_100016991755 [1,1,0,0,0,0|2,0,0]=4 1238 B10R1.21 O=CCSCc1ncco1 62a_103436540062_200015260668 [1,1,0,0,0,0|2,0,0]=4 1239 B10R1.21 O=CCSCc1ncco1 62a_200015260668_103436540062 [1,1,0,0,0,0|2,0,0]=4 1240 B10R1.21 O=CCSCc1nccs1 62a_100015184050_200015260668 [1,1,0,0,0,0|2,0,0]=4 1241 B10R1.21 O=CCSCc1nccs1 62a_200015260668_100015184050 [1,1,0,0,0,0|2,0,0]=4 1242 B10R1.21 O=CCSCc1ncon1 62a_100000233494_200015260668 [1,1,0,0,0,0|2,0,0]=4 1243 B10R1.21 O=CCSCc1ncon1 62a_200015260668_100000233494 [1,1,0,0,0,0|2,0,0]=4 1244 B10R1.21 O=CCSCn1cncn1 62a_200015260668_200020645497 [1,1,0,0,0,0|1,0,1]=4 1245 B10R1.21 O=CCSCn1cncn1 62a_200020645497_200015260668 [1,1,0,0,0,0|1,0,1]=4 1246 B10R1.21 OCCCSc1c[nH]cn1 62a_100000756875_100011215043 [1,1,0,0,0,0|0,0,1]=3 1247 B10R1.21 OCCCSc1c[nH]cn1 62a_100011215043_100000756875 [1,1,0,0,0,0|0,0,1]=3 1248 B10R1.21 OCCCSc1c[nH]nn1 62a_100009819707_100011215043 [1,1,0,0,0,0|1,0,1]=4 1249 B10R1.21 OCCCSc1c[nH]nn1 62a_100011215043_100009819707 [1,1,0,0,0,0|1,0,1]=4 1250 B10R1.21 OCCCSc1cscn1 62a_100000751502_100011215043 [1,1,0,0,0,0|1,0,1]=4 1251 B10R1.21 OCCCSc1cscn1 62a_100011215043_100000751502 [1,1,0,0,0,0|1,0,1]=4 1252 B10R1.21 OCCCSc1nc[nH]n1 62a_100000761765_100011215043 [1,1,0,0,0,0|1,0,1]=4 1253 B10R1.21 OCCCSc1nc[nH]n1 62a_100011215043_100000761765 [1,1,0,0,0,0|1,0,1]=4 1254 B10R1.21 OCCNCc1c[nH]cn1 2230a_100016997473_100000707719 [1,1,0,0,0,0|0,0,1]=3 1255 B10R1.21 OCCNCc1c[nH]cn1 34a_100016990907_100000707719 [1,1,0,0,0,0|0,0,1]=3 1256 B10R1.21 OCCNCc1cocn1 270004a_100000210304_100000050382 [1,1,0,0,0,0|1,0,1]=4 1257 B10R1.21 OCCNCc1cscn1 207a_100000210304_100000743575 [1,1,0,0,0,0|1,0,1]=4 1258 B10R1.21 OCCNCc1cscn1 2230a_100015185402_100000211926 [1,1,0,0,0,0|1,0,1]=4 1259 B10R1.21 OCCNCc1cscn1 2230a_100016997473_100000205941 [1,1,0,0,0,0|1,0,1]=4 1260 B10R1.21 OCCNCc1cscn1 270004a_100000210304_100000743575 [1,1,0,0,0,0|1,0,1]=4 1261 B10R1.21 OCCNCc1cscn1 34a_100016990907_100000205941 [1,1,0,0,0,0|1,0,1]=4 1262 B10R1.21 OCCSCc1c[nH]cn1 62a_100000211926_100000707719 [1,1,0,0,0,0|0,0,1]=3 1263 B10R1.21 OCCSCc1c[nH]cn1 62a_100000707719_100000211926 [1,1,0,0,0,0|0,0,1]=3 1264 B10R1.21 OCCSCc1cscn1 62a_100000205941_100000211926 [1,1,0,0,0,0|1,0,1]=4 1265 B10R1.21 OCCSCc1cscn1 62a_100000211926_100000205941 [1,1,0,0,0,0|1,0,1]=4 1266 B10R1.27 C=CC(=O)Cc1c[nH]cn1 1458a_100000185746_100000707719 [1,1,0,0,0,0|1,0,1]=4 1267 B10R1.27 C=CC(C)Sc1c[nH]cn1 62a_100011215867_100000756875 [1,1,0,0,0,0|2,0,0]=4 1268 B10R1.27 CC(CO)Sc1c[nH]cn1 62a_100012180447_100000756875 [1,1,0,0,0,0|1,0,1]=4 1269 B10R1.27 C[C@H](CO)Sc1c[nH]cn1 62a_100000756875_100016084084 [1,1,0,0,0,0|1,0,1]=4 1270 B10R1.27 C[C@H](CO)Sc1c[nH]cn1 62a_100016084084_100000756875 [1,1,0,0,0,0|1,0,1]=4 1271 B10R1.27 O=C(CO)Cc1c[nH]cn1 1458a_100000210174_100000707719 [1,1,0,0,0,0|0,0,2]=4 1272 B10R1.29 C=CCSc1nc[nH]c1C 62a_100000210623_100010186451 [1,1,0,0,0,0|2,0,0]=4 1273 B10R1.29 C=CCSc1nc[nH]c1C 62a_100010186451_100000210623 [1,1,0,0,0,0|2,0,0]=4 1274 B10R1.29 CCCCc1nc[nH]c1C 271570a_100020621405_100009816806 [1,1,0,0,0,0|1,0,1]=4 1275 B10R1.29 Cc1[nH]cnc1SCC=O 62a_100010186451_200015260668 [1,1,0,0,0,0|1,0,0]=3 1276 B10R1.29 Cc1[nH]cnc1SCC=O 62a_200015260668_100010186451 [1,1,0,0,0,0|1,0,0]=3 1277 B10R1.29 Cc1[nH]cnc1SCCO 62a_100000211926_100010186451 [1,1,0,0,0,0|1,0,1]=4 1278 B10R1.29 Cc1[nH]cnc1SCCO 62a_100010186451_100000211926 [1,1,0,0,0,0|1,0,1]=4 1279 B10R1.29 Cc1scnc1SCC=O 62a_100000732656_200015260668 [1,1,0,0,0,0|2,0,0]=4 1280 B10R1.29 Cc1scnc1SCC=O 62a_200015260668_100000732656 [1,1,0,0,0,0|2,0,0]=4 1281 B10R1.54 CC(=O)Cc1cn(cn1)C 1458a_100000070787_100000717665 [0,1,0,0,1,0|1,0,0]=3 1282 B10R1.54 CC(=O)Cc1cn(cn1)C 1458a_100011512828_200000210301 [0,1,0,0,1,0|1,0,0]=3 1283 B10R1.54 CC(=O)Cc1csc(n1)C 1458a_100000070787_100015186478 [0,1,0,0,1,0|2,0,0]=4 1284 B10R1.54 CC(=O)Cc1csc(n1)C 1458a_100000184407_200000210301 [0,1,0,0,1,0|2,0,0]=4 1285 B10R1.54 CC(=O)Cc1csc(n1)Cl 1458a_100000070787_100000024076 [0,1,0,0,1,0|2,0,0]=4 1286 B10R1.54 CC(=O)Cc1n[nH]c(n1)C 1458a_100011457670_200000210301 [0,1,0,0,1,0|2,0,0]=4 1287 B10R1.54 CC(=O)Cc1ncn(n1)C 1458a_100000070787_100016995526 [0,1,0,0,1,0|2,0,0]=4 1288 B10R1.54 Cc1nc(cs1)CC(=O)[13CH3] 1458a_100000184407_200025704644 [0,1,0,0,1,0|2,0,0]=4 1289 B10R1.54 Cc1nc(n[nH]1)CC(=O)[13CH3] 1458a_100011457670_200025704644 [0,1,0,0,1,0|2,0,0]=4 1290 B10R1.54 Cn1cnc(c1)CC(=O)[13CH3] 1458a_100011512828_200025704644 [0,1,0,0,1,0|1,0,0]=3 1291 B10R1.64 CC(=O)Cc1nc[nH]c1C 1458a_100000070787_100000751220 [0,1,0,0,1,0|1,0,0]=3 1292 B10R1.64 CC(=O)Cc1ncoc1C 1458a_100000070787_200000693990 [0,1,0,0,1,0|2,0,0]=4 1293 B12R1.21 CC(=O)CCc1ccc(=O)[nH]n1 1458a_200015201340_200000210301 [0,1,0,0,0,1|2,0,0]=4 1294 B12R1.21 NC(=O)CSc1cnc(=O)[nH]c1 62a_100000747473_102495366499 [0,1,0,0,0,1|2,0,0]=4 1295 B12R1.21 NC(=O)CSc1cnc(=O)[nH]c1 62a_102495366499_100000747473 [0,1,0,0,0,1|2,0,0]=4 1296 B12R1.21 O=C([O-])CSc1cnc(=O)[nH]c1 62a_100020667443_102495366499 [0,1,0,0,0,1|1,0,1]=4 1297 B12R1.21 O=C([O-])CSc1cnc(=O)[nH]c1 62a_102495366499_100020667443 [0,1,0,0,0,1|1,0,1]=4 1298 B12R1.21 [13CH3]C(=O)CCc1ccc(=O)[nH]n1 1458a_200015201340_200025704644 [0,1,0,0,0,1|2,0,0]=4 1299 B12R1.27 C#CC(=O)CCc1ccccn1 1458a_100000211873_100015183660 [0,1,0,0,0,1|2,0,0]=4 1300 B12R1.27 C#CC(=O)CCc1cccnc1 1458a_100000211873_200011713674 [0,1,0,0,0,1|2,0,0]=4 1301 B12R1.27 C=CC(=O)CCc1ccccn1 1458a_100000185746_100015183660 [0,1,0,0,0,1|2,0,0]=4 1302 B12R1.27 C=CC(=O)CCc1cccnc1 1458a_100000185746_200011713674 [0,1,0,0,0,1|2,0,0]=4 1303 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100000210414_100015183660 [0,1,0,0,0,1|2,0,0]=4 1304 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100015195070_100000210202 [0,1,0,0,0,1|2,0,0]=4 1305 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000198484_100000210202 [0,1,0,0,0,1|2,0,0]=4 1306 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000210414_200011713674 [0,1,0,0,0,1|2,0,0]=4 1307 B12R1.27 CNC(=O)CCc1ccccn1 11a_106832991635_100015195070 [0,1,0,0,0,1|2,0,0]=4 1308 B12R1.27 CNC(=O)CCc1ccccn1 240690a_100102657272_100015195070 [0,1,0,0,0,1|2,0,0]=4 1309 B12R1.27 CNC(=O)CCc1ccccn1 527a_100102657272_100015195070 [0,1,0,0,0,1|2,0,0]=4 1310 B12R1.27 CNC(=O)CCc1cccnc1 11a_106832991635_100000198484 [0,1,0,0,0,1|2,0,0]=4 1311 B12R1.27 CNC(=O)CCc1cccnc1 1626a_100102657272_100000198484 [0,1,0,0,0,1|2,0,0]=4 1312 B12R1.27 CNC(=O)CCc1cccnc1 240690a_100102657272_100000198484 [0,1,0,0,0,1|2,0,0]=4 1313 B12R1.27 CNC(=O)CCc1cccnc1 527a_100102657272_100000198484 [0,1,0,0,0,1|2,0,0]=4 1314 B12R1.27 COC(=O)COc1cccnc1 34a_100000210849_100000747449 [0,1,0,0,0,1|2,0,0]=4 1315 B12R1.27 COC(=O)COc1cccnc1 7a_100000210849_100000747449 [0,1,0,0,0,1|2,0,0]=4 1316 B12R1.27 COC(=O)COc1cncnc1 7a_100000754086_100000747449 [0,1,0,0,0,1|1,0,1]=4 1317 B12R1.27 COC(=O)CSc1ccccn1 62a_100000747449_100011216584 [0,1,0,0,0,1|2,0,0]=4 1318 B12R1.27 COC(=O)CSc1ccccn1 62a_100011216584_100000747449 [0,1,0,0,0,1|2,0,0]=4 1319 B12R1.27 COC(=O)CSc1cccnc1 62a_100000210063_100000747449 [0,1,0,0,0,1|2,0,0]=4 1320 B12R1.27 COC(=O)CSc1cccnc1 62a_100000747449_100000210063 [0,1,0,0,0,1|2,0,0]=4 1321 B12R1.27 COC(=O)CSc1cccnn1 62a_100000747449_100016991348 [0,1,0,0,0,1|2,0,0]=4 1322 B12R1.27 COC(=O)CSc1cccnn1 62a_100016991348_100000747449 [0,1,0,0,0,1|2,0,0]=4 1323 B12R1.27 COC(=O)CSc1ccncn1 62a_100000703185_100000747449 [0,1,0,0,0,1|1,0,1]=4 1324 B12R1.27 COC(=O)CSc1ccncn1 62a_100000747449_100000703185 [0,1,0,0,0,1|1,0,1]=4 1325 B12R1.27 COC(=O)CSc1cnccn1 62a_100000211759_100000747449 [0,1,0,0,0,1|1,0,1]=4 1326 B12R1.27 COC(=O)CSc1cnccn1 62a_100000747449_100000211759 [0,1,0,0,0,1|1,0,1]=4 1327 B12R1.27 COC(=O)CSc1cncnc1 62a_100000747449_100011206942 [0,1,0,0,0,1|1,0,1]=4 1328 B12R1.27 COC(=O)CSc1cncnc1 62a_100011206942_100000747449 [0,1,0,0,0,1|1,0,1]=4 1329 B12R1.27 COC(=O)CSc1ncccn1 62a_100000211032_100000747449 [0,1,0,0,0,1|2,0,0]=4 1330 B12R1.27 COC(=O)CSc1ncccn1 62a_100000747449_100000211032 [0,1,0,0,0,1|2,0,0]=4 1331 B12R1.27 O=C(CF)CCc1ccccn1 1458a_100015195070_100015361967 [0,1,0,0,0,1|2,0,0]=4 1332 B12R1.27 O=C(CF)CCc1cccnc1 1458a_100000198484_100015361967 [0,1,0,0,0,1|2,0,0]=4 1333 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [0,1,0,0,0,1|2,0,0]=4 1334 B12R1.27 O=C(CO)CCc1ccccn1 1458a_100000210174_100015183660 [0,1,0,0,0,1|1,0,0]=3 1335 B12R1.27 O=C(CO)CCc1cccnc1 1458a_100000210174_200011713674 [0,1,0,0,0,1|1,0,0]=3 1336 B12R1.27 O=C(CO)CCc1ccncc1 1458a_100000210174_100000723409 [0,1,0,0,0,1|1,0,1]=4 1337 B12R1.27 O=C(CO)NCc1ccccn1 240690a_100000210449_100000210174 [0,1,0,0,0,1|2,0,0]=4 1338 B12R1.27 O=C(CO)NCc1ccccn1 527a_100000210449_100000210174 [0,1,0,0,0,1|2,0,0]=4 1339 B12R1.27 O=C(CO)NCc1cccnc1 240690a_100000210453_100000210174 [0,1,0,0,0,1|2,0,0]=4 1340 B12R1.27 O=C(CO)NCc1cccnc1 527a_100000210453_100000210174 [0,1,0,0,0,1|2,0,0]=4 1341 B12R1.27 O=C(CO)NCc1cccnn1 240690a_100159270163_100000210174 [0,1,0,0,0,1|2,0,0]=4 1342 B12R1.27 O=C(CO)NCc1cccnn1 527a_100159270163_100000210174 [0,1,0,0,0,1|2,0,0]=4 1343 B12R1.27 O=C(CO)NCc1ccncn1 240690a_100000736019_100000210174 [0,1,0,0,0,1|1,0,1]=4 1344 B12R1.27 O=C(CO)NCc1ccncn1 527a_100000736019_100000210174 [0,1,0,0,0,1|1,0,1]=4 1345 B12R1.27 O=C(CO)NCc1cnccn1 240690a_100000737960_100000210174 [0,1,0,0,0,1|1,0,1]=4 1346 B12R1.27 O=C(CO)NCc1cnccn1 527a_100000737960_100000210174 [0,1,0,0,0,1|1,0,1]=4 1347 B12R1.27 O=C(CO)NCc1cncnc1 240690a_100011243677_100000210174 [0,1,0,0,0,1|1,0,1]=4 1348 B12R1.27 O=C(CO)NCc1cncnc1 527a_100011243677_100000210174 [0,1,0,0,0,1|1,0,1]=4 1349 B12R1.27 O=C(CO)NCc1ncccn1 240690a_100015189908_100000210174 [0,1,0,0,0,1|2,0,0]=4 1350 B12R1.27 O=C(CO)NCc1ncccn1 527a_100015189908_100000210174 [0,1,0,0,0,1|2,0,0]=4 1351 B12R1.43 CC(=O)C(C)Cc1ccccn1 1458a_100012000792_200000210301 [0,1,0,0,0,1|2,0,0]=4 1352 B12R1.43 CC(Cc1ccccn1)C(=O)[13CH3] 1458a_100012000792_200025704644 [0,1,0,0,0,1|2,0,0]=4 1353 B12R1.125 NC(=O)CSc1ncc[nH]c1=O 62a_100000747473_100000763361 [0,1,0,0,0,1|2,0,0]=4 1354 B12R1.125 O=C([O-])CSc1ncc[nH]c1=O 62a_100020667443_100000763361 [0,1,0,0,0,1|1,0,1]=4 1355 B12R1.226 NC(=O)CSc1cc(=O)[nH]cn1 62a_100012002517_100000747473 [0,1,0,0,0,1|2,0,0]=4 1356 B12R1.226 NC(=O)CSc1cc[nH]c(=O)n1 62a_100000747473_200000134032 [0,1,0,0,0,1|2,0,0]=4 1357 B12R1.226 O=C([O-])CSc1cc(=O)[nH]cn1 62a_100012002517_100020667443 [0,1,0,0,0,1|1,0,1]=4 1358 B12R1.226 O=C([O-])CSc1cc[nH]c(=O)n1 62a_100020667443_200000134032 [0,1,0,0,0,1|1,0,1]=4 1359 B12R1.105 C=C(C)CCSc1c[nH]c(n1)C 62a_100000730704_100009814057 [0,1,0,0,0,1|2,0,0]=4 1360 B12R1.105 C=C(C)CCSc1c[nH]c(n1)C 62a_100009814057_100000730704 [0,1,0,0,0,1|2,0,0]=4 1361 B12R1.105 C=C(C)CCSc1cn(cn1)C 62a_100000040308_100000730704 [0,1,0,0,0,1|2,0,0]=4 1362 B12R1.105 C=C(C)CCSc1cn(cn1)C 62a_100000730704_100000040308 [0,1,0,0,0,1|2,0,0]=4 1363 B12R1.105 C=C(C)COCc1cn(cn1)C 34a_100000210245_100000717665 [0,1,0,0,0,1|2,0,0]=4 1364 B12R1.105 C=C(C)COCc1cn(cn1)C 34a_100000710007_100000748629 [0,1,0,0,0,1|2,0,0]=4 1365 B12R1.105 C=C(C)CSCc1cn(cn1)C 62a_100000717665_100000211660 [0,1,0,0,0,1|2,0,0]=4 1366 B12R1.105 C=C(C)CSCc1cn(cn1)C 62a_100000748629_100000717665 [0,1,0,0,0,1|2,0,0]=4 1367 B12R1.105 C=C(F)COCc1cn(cn1)C 34a_100000710007_100009893438 [0,1,0,0,0,1|2,0,0]=4 1368 B12R1.105 C=C(F)COCc1cn(cn1)C 34a_200010262243_100000717665 [0,1,0,0,0,1|2,0,0]=4 1369 B12R1.105 C=C(F)CSCc1cn(cn1)C 62a_100000042424_100000717665 [0,1,0,0,0,1|2,0,0]=4 1370 B12R1.105 C=C(F)CSCc1cn(cn1)C 62a_100000717665_100000042424 [0,1,0,0,0,1|2,0,0]=4 1371 B12R1.105 CC(=O)CCSc1c[nH]c(n1)C 62a_100000053229_100009814057 [0,1,0,0,0,1|1,0,0]=3 1372 B12R1.105 CC(=O)CCSc1c[nH]c(n1)C 62a_100009814057_100000053229 [0,1,0,0,0,1|1,0,0]=3 1373 B12R1.105 CC(=O)CCSc1cn(cn1)C 62a_100000040308_100000053229 [0,1,0,0,0,1|1,0,0]=3 1374 B12R1.105 CC(=O)CCSc1cn(cn1)C 62a_100000053229_100000040308 [0,1,0,0,0,1|1,0,0]=3 1375 B12R1.105 CC(=O)CCSc1cn(nn1)C 62a_100000053229_100000760339 [0,1,0,0,0,1|2,0,0]=4 1376 B12R1.105 CC(=O)CCSc1cn(nn1)C 62a_100000760339_100000053229 [0,1,0,0,0,1|2,0,0]=4 1377 B12R1.105 CC(=O)CCSc1csc(n1)C 62a_100000053229_100011934587 [0,1,0,0,0,1|2,0,0]=4 1378 B12R1.105 CC(=O)CCSc1csc(n1)C 62a_100011934587_100000053229 [0,1,0,0,0,1|2,0,0]=4 1379 B12R1.105 CC(=O)CCSc1csc(n1)N 62a_100000053229_100011998049 [0,1,0,0,0,1|2,0,0]=4 1380 B12R1.105 CC(=O)CCSc1csc(n1)N 62a_100011998049_100000053229 [0,1,0,0,0,1|2,0,0]=4 1381 B12R1.105 CC(=O)CCSc1n[nH]c(n1)C 62a_100000053229_100000732540 [0,1,0,0,0,1|2,0,0]=4 1382 B12R1.105 CC(=O)CCSc1n[nH]c(n1)C 62a_100000732540_100000053229 [0,1,0,0,0,1|2,0,0]=4 1383 B12R1.105 CC(=O)CCSc1n[nH]c(n1)N 62a_100000053229_100015184587 [0,1,0,0,0,1|2,0,0]=4 1384 B12R1.105 CC(=O)CCSc1n[nH]c(n1)N 62a_100015184587_100000053229 [0,1,0,0,0,1|2,0,0]=4 1385 B12R1.105 CC(=O)CCSc1ncn(n1)C 62a_100000053229_100009819955 [0,1,0,0,0,1|2,0,0]=4 1386 B12R1.105 CC(=O)CCSc1ncn(n1)C 62a_100009819955_100000053229 [0,1,0,0,0,1|2,0,0]=4 1387 B12R1.105 CC(=O)COCc1cn(cn1)C 34a_100000211253_100000717665 [0,1,0,0,0,1|1,0,0]=3 1388 B12R1.105 CC(=O)COCc1csc(n1)C 34a_100000211253_100015186478 [0,1,0,0,0,1|2,0,0]=4 1389 B12R1.105 CC(=O)COCc1csc(n1)Cl 34a_100000211253_100000024076 [0,1,0,0,0,1|2,0,0]=4 1390 B12R1.105 CC(=O)COCc1ncn(n1)C 34a_100000211253_100016995526 [0,1,0,0,0,1|2,0,0]=4 1391 B12R1.105 CC(=O)CSCc1csc(n1)C 1458a_100000150240_200000210301 [0,1,0,0,0,1|2,0,0]=4 1392 B12R1.105 CC(=O)NCCc1cn(cn1)C 11a_106430523030_100015343762 [0,1,0,0,0,1|1,0,0]=3 1393 B12R1.105 CC(=O)NCCc1cn(cn1)C 1626a_106430523030_100015343762 [0,1,0,0,0,1|1,0,0]=3 1394 B12R1.105 CC(=O)NCCc1cn(cn1)C 240690a_106430523030_100015343762 [0,1,0,0,0,1|1,0,0]=3 1395 B12R1.105 CC(=O)NCCc1cn(cn1)C 527a_106430523030_100103153847 [0,1,0,0,0,1|1,0,0]=3 1396 B12R1.105 CC(=O)NCCc1csc(n1)C 1626a_102495365028_100015343762 [0,1,0,0,0,1|2,0,0]=4 1397 B12R1.105 CC(=O)NCCc1csc(n1)C 240690a_102495365028_100015343762 [0,1,0,0,0,1|2,0,0]=4 1398 B12R1.105 CC(=O)NCCc1csc(n1)C 527a_102495365028_100103153847 [0,1,0,0,0,1|2,0,0]=4 1399 B12R1.105 CC(=O)NCCc1ncn(n1)C 11a_100103148823_100015343762 [0,1,0,0,0,1|2,0,0]=4 1400 B12R1.105 CC(=O)NCCc1ncn(n1)C 240690a_100103148823_100015343762 [0,1,0,0,0,1|2,0,0]=4 1401 B12R1.105 CC(=O)NCCc1ncn(n1)C 527a_100103148823_100103153847 [0,1,0,0,0,1|2,0,0]=4 1402 B12R1.105 CC(=O)OCSc1c[nH]c(n1)C 62a_100000076356_100009814057 [0,1,0,0,0,1|2,0,0]=4 1403 B12R1.105 CC(=O)OCSc1c[nH]c(n1)C 62a_100009814057_100000076356 [0,1,0,0,0,1|2,0,0]=4 1404 B12R1.105 CC(=O)OCSc1cn(cn1)C 62a_100000040308_100000076356 [0,1,0,0,0,1|2,0,0]=4 1405 B12R1.105 CC(=O)OCSc1cn(cn1)C 62a_100000076356_100000040308 [0,1,0,0,0,1|2,0,0]=4 1406 B12R1.105 CC(O)CCSc1cn(cn1)C 62a_100000040308_100012276601 [0,1,0,0,0,1|1,0,1]=4 1407 B12R1.105 CC(O)CCSc1cn(cn1)C 62a_100012276601_100000040308 [0,1,0,0,0,1|1,0,1]=4 1408 B12R1.105 CC(O)CNCc1cn(cn1)C 207a_100000210904_100000684808 [0,1,0,0,0,1|1,0,1]=4 1409 B12R1.105 CC(O)CNCc1cn(cn1)C 2230a_100000210904_100000717665 [0,1,0,0,0,1|1,0,1]=4 1410 B12R1.105 CC(O)CNCc1cn(cn1)C 270004a_100000210904_100000684808 [0,1,0,0,0,1|1,0,1]=4 1411 B12R1.105 CC(O)CNCc1cn(cn1)C 34a_100000210904_100000717665 [0,1,0,0,0,1|1,0,1]=4 1412 B12R1.105 CC(O)COCc1cn(cn1)C 34a_100000710007_100011218427 [0,1,0,0,0,1|1,0,1]=4 1413 B12R1.105 CC(O)CSCc1cn(cn1)C 62a_100000717665_100011218427 [0,1,0,0,0,1|1,0,1]=4 1414 B12R1.105 CC(O)CSCc1cn(cn1)C 62a_100011218427_100000717665 [0,1,0,0,0,1|1,0,1]=4 1415 B12R1.105 C[C@@H](O)COCc1cn(cn1)C 34a_100000710007_100009817552 [0,1,0,0,0,1|1,0,1]=4 1416 B12R1.105 C[C@@H](O)CSCc1cn(cn1)C 62a_100000717665_100009817552 [0,1,0,0,0,1|1,0,1]=4 1417 B12R1.105 C[C@@H](O)CSCc1cn(cn1)C 62a_100009817552_100000717665 [0,1,0,0,0,1|1,0,1]=4 1418 B12R1.105 Cc1cc(no1)CNCC(=O)O 269956a_100016091260_100000199038 [0,1,0,0,0,1|2,0,0]=4 1419 B12R1.105 Cc1nc(c[nH]1)CNCC(C)O 207a_100000210904_100011219055 [0,1,0,0,0,1|1,0,1]=4 1420 B12R1.105 Cc1nc(c[nH]1)SCCC(=O)N 62a_100000744528_100009814057 [0,1,0,0,0,1|1,0,0]=3 1421 B12R1.105 Cc1nc(c[nH]1)SCCC(=O)N 62a_100009814057_100000744528 [0,1,0,0,0,1|1,0,0]=3 1422 B12R1.105 Cc1nc(c[nH]1)SCCC(C)O 62a_100009814057_100012276601 [0,1,0,0,0,1|1,0,1]=4 1423 B12R1.105 Cc1nc(c[nH]1)SCCC(C)O 62a_100012276601_100009814057 [0,1,0,0,0,1|1,0,1]=4 1424 B12R1.105 Cc1nc(co1)COCC(=O)N 34a_100012017233_100000187820 [0,1,0,0,0,1|2,0,0]=4 1425 B12R1.105 Cc1nc(co1)COCC(=O)[O-] 34a_100012017233_100020667443 [0,1,0,0,0,1|1,0,1]=4 1426 B12R1.105 Cc1nc(cs1)CNCC(=O)N 2230a_100000711301_100015186478 [0,1,0,0,0,1|2,0,0]=4 1427 B12R1.105 Cc1nc(cs1)CNCC(=O)N 34a_100000707933_100000187820 [0,1,0,0,0,1|2,0,0]=4 1428 B12R1.105 Cc1nc(cs1)CNCC(=O)O 269956a_100016091260_100015186478 [0,1,0,0,0,1|1,0,0]=3 1429 B12R1.105 Cc1nc(cs1)CNCC(=O)[O-] 34a_100000707933_100020667443 [0,1,0,0,0,1|1,0,1]=4 1430 B12R1.105 Cc1nc(cs1)COCC(=O)N 34a_100000735831_100000187820 [0,1,0,0,0,1|2,0,0]=4 1431 B12R1.105 Cc1nc(cs1)COCC(=O)[O-] 34a_100000735831_100020667443 [0,1,0,0,0,1|1,0,1]=4 1432 B12R1.105 Cc1nc(cs1)CSCC(=O)N 62a_100000747473_100015186478 [0,1,0,0,0,1|2,0,0]=4 1433 B12R1.105 Cc1nc(cs1)CSCC(=O)N 62a_100015186478_100000747473 [0,1,0,0,0,1|2,0,0]=4 1434 B12R1.105 Cc1nc(cs1)CSCC(=O)[13CH3] 1458a_100000150240_200025704644 [0,1,0,0,0,1|2,0,0]=4 1435 B12R1.105 Cc1nc(cs1)CSCC(=O)[O-] 62a_100015186478_100020667443 [0,1,0,0,0,1|1,0,1]=4 1436 B12R1.105 Cc1nc(cs1)CSCC(=O)[O-] 62a_100020667443_100015186478 [0,1,0,0,0,1|1,0,1]=4 1437 B12R1.105 Cc1nc(cs1)SCCC(=O)N 62a_100000744528_100011934587 [0,1,0,0,0,1|2,0,0]=4 1438 B12R1.105 Cc1nc(cs1)SCCC(=O)N 62a_100011934587_100000744528 [0,1,0,0,0,1|2,0,0]=4 1439 B12R1.105 Cc1nc(n[nH]1)CNCC(=O)N 2230a_100000752542_100000747473 [0,1,0,0,0,1|2,0,0]=4 1440 B12R1.105 Cc1nc(n[nH]1)SCCC(=O)N 62a_100000732540_100000744528 [0,1,0,0,0,1|2,0,0]=4 1441 B12R1.105 Cc1nc(n[nH]1)SCCC(=O)N 62a_100000744528_100000732540 [0,1,0,0,0,1|2,0,0]=4 1442 B12R1.105 Cc1nc(no1)CNCC(=O)O 269956a_100016091260_100000231061 [0,1,0,0,0,1|2,0,0]=4 1443 B12R1.105 Cc1ncc(s1)CNCC(=O)O 269956a_100016091260_100020635045 [0,1,0,0,0,1|1,0,1]=4 1444 B12R1.105 Cc1noc(n1)CNCC(=O)O 269956a_100016091260_100000735555 [0,1,0,0,0,1|1,0,1]=4 1445 B12R1.105 Cn1cc(cn1)CNCC(=O)O 269956a_100016091260_100000765209 [0,1,0,0,0,1|2,0,0]=4 1446 B12R1.105 Cn1cc(nn1)CCCC(=O)O 274090a_200000210301_100000690238 [0,1,0,0,0,1|1,0,0]=3 1447 B12R1.105 Cn1cc(nn1)SCCC(=O)N 62a_100000744528_100000760339 [0,1,0,0,0,1|2,0,0]=4 1448 B12R1.105 Cn1cc(nn1)SCCC(=O)N 62a_100000760339_100000744528 [0,1,0,0,0,1|2,0,0]=4 1449 B12R1.105 Cn1ccc(n1)CNCC(=O)O 269956a_100016091260_100000726502 [0,1,0,0,0,1|2,0,0]=4 1450 B12R1.105 Cn1cnc(c1)CNCC(=O)N 2230a_100000711301_100000717665 [0,1,0,0,0,1|1,0,0]=3 1451 B12R1.105 Cn1cnc(c1)CNCC(=O)O 269956a_100016091260_100000717665 [0,1,0,0,0,1|0,0,0]=2 1452 B12R1.105 Cn1cnc(c1)COCC(=O)N 34a_100000710007_100000187820 [0,1,0,0,0,1|1,0,0]=3 1453 B12R1.105 Cn1cnc(c1)COCC(=O)[O-] 34a_100000710007_100020667443 [0,1,0,0,0,1|0,0,1]=3 1454 B12R1.105 Cn1cnc(c1)COC[N+](=O)[O-] 34a_100000710007_100000761209 [0,1,0,0,0,1|1,0,1]=4 1455 B12R1.105 Cn1cnc(c1)CSCC(=O)N 62a_100000717665_100000747473 [0,1,0,0,0,1|1,0,0]=3 1456 B12R1.105 Cn1cnc(c1)CSCC(=O)N 62a_100000747473_100000717665 [0,1,0,0,0,1|1,0,0]=3 1457 B12R1.105 Cn1cnc(c1)CSCC(=O)[O-] 62a_100000717665_100020667443 [0,1,0,0,0,1|0,0,1]=3 1458 B12R1.105 Cn1cnc(c1)CSCC(=O)[O-] 62a_100020667443_100000717665 [0,1,0,0,0,1|0,0,1]=3 1459 B12R1.105 Cn1cnc(c1)CSC[N+](=O)[O-] 62a_100000717665_100000761209 [0,1,0,0,0,1|1,0,1]=4 1460 B12R1.105 Cn1cnc(c1)SCCC(=O)N 62a_100000040308_100000744528 [0,1,0,0,0,1|1,0,0]=3 1461 B12R1.105 Cn1cnc(c1)SCCC(=O)N 62a_100000744528_100000040308 [0,1,0,0,0,1|1,0,0]=3 1462 B12R1.105 Cn1cnc(n1)CNCC(=O)N 2230a_100000695864_100000747473 [0,1,0,0,0,1|2,0,0]=4 1463 B12R1.105 Cn1cnc(n1)CNCC(=O)N 2230a_100000711301_100016995526 [0,1,0,0,0,1|2,0,0]=4 1464 B12R1.105 Cn1cnc(n1)CNCC(=O)O 269956a_100016091260_100016995526 [0,1,0,0,0,1|1,0,0]=3 1465 B12R1.105 Cn1cnc(n1)CSCC(=O)N 62a_100000747473_100016995526 [0,1,0,0,0,1|2,0,0]=4 1466 B12R1.105 Cn1cnc(n1)CSCC(=O)N 62a_100016995526_100000747473 [0,1,0,0,0,1|2,0,0]=4 1467 B12R1.105 Cn1cnc(n1)CSCC(=O)[O-] 62a_100016995526_100020667443 [0,1,0,0,0,1|1,0,1]=4 1468 B12R1.105 Cn1cnc(n1)CSCC(=O)[O-] 62a_100020667443_100016995526 [0,1,0,0,0,1|1,0,1]=4 1469 B12R1.105 Cn1cnc(n1)SCCC(=O)N 62a_100000744528_100009819955 [0,1,0,0,0,1|2,0,0]=4 1470 B12R1.105 Cn1cnc(n1)SCCC(=O)N 62a_100009819955_100000744528 [0,1,0,0,0,1|2,0,0]=4 1471 B12R1.105 NC(=O)CCSc1csc(n1)N 62a_100000744528_100011998049 [0,1,0,0,0,1|2,0,0]=4 1472 B12R1.105 NC(=O)CCSc1csc(n1)N 62a_100011998049_100000744528 [0,1,0,0,0,1|2,0,0]=4 1473 B12R1.105 NC(=O)CCSc1n[nH]c(n1)N 62a_100000744528_100015184587 [0,1,0,0,0,1|2,0,0]=4 1474 B12R1.105 NC(=O)CCSc1n[nH]c(n1)N 62a_100015184587_100000744528 [0,1,0,0,0,1|2,0,0]=4 1475 B12R1.105 NC(=O)CNCc1csc(n1)Cl 2230a_100000711301_100000024076 [0,1,0,0,0,1|2,0,0]=4 1476 B12R1.105 NC(=O)CSCc1csc(n1)Cl 62a_100000024076_100000747473 [0,1,0,0,0,1|2,0,0]=4 1477 B12R1.105 NC(=O)CSCc1csc(n1)Cl 62a_100000747473_100000024076 [0,1,0,0,0,1|2,0,0]=4 1478 B12R1.105 O=C(O)CNCc1cc(cs1)Br 269956a_100016091260_100000746031 [0,1,0,0,0,1|2,0,0]=4 1479 B12R1.105 O=C(O)CNCc1ccc(s1)Br 269956a_100016091260_100000708592 [0,1,0,0,0,1|2,0,0]=4 1480 B12R1.105 O=C(O)CNCc1ccc(s1)Cl 269956a_100016091260_100000185097 [0,1,0,0,0,1|2,0,0]=4 1481 B12R1.105 O=C(O)CNCc1cnc(s1)Br 269956a_100016091260_100000717027 [0,1,0,0,0,1|1,0,1]=4 1482 B12R1.105 O=C(O)CNCc1cnc(s1)Cl 269956a_100016091260_100000058068 [0,1,0,0,0,1|1,0,1]=4 1483 B12R1.105 O=C(O)CNCc1csc(n1)Cl 269956a_100016091260_100000024076 [0,1,0,0,0,1|1,0,0]=3 1484 B12R1.105 O=C(O)CNCc1n[nH]c(=O)[nH]1 269956a_100016091260_100000754189 [0,1,0,0,0,1|1,0,1]=4 1485 B12R1.105 O=C(O)CNCc1nsc(n1)Cl 269956a_100016091260_100000043760 [0,1,0,0,0,1|2,0,0]=4 1486 B12R1.105 O=C([O-])CSCc1csc(n1)Cl 62a_100000024076_100020667443 [0,1,0,0,0,1|1,0,1]=4 1487 B12R1.105 O=C([O-])CSCc1csc(n1)Cl 62a_100020667443_100000024076 [0,1,0,0,0,1|1,0,1]=4 1488 B12R1.105 [13CH3]n1cc(nn1)CCCC(=O)O 274090a_200025704644_100000690238 [0,1,0,0,0,1|1,0,0]=3 1489 B12R1.130 C=C(C)CCSc1nc[nH]c1C 62a_100000730704_100010186451 [0,1,0,0,0,1|2,0,0]=4 1490 B12R1.130 C=C(C)CCSc1nc[nH]c1C 62a_100010186451_100000730704 [0,1,0,0,0,1|2,0,0]=4 1491 B12R1.130 C=C(C)CSCc1nc[nH]c1C 62a_100000748629_100000751220 [0,1,0,0,0,1|2,0,0]=4 1492 B12R1.130 C=C(C)CSCc1nc[nH]c1C 62a_100000751220_100000211660 [0,1,0,0,0,1|2,0,0]=4 1493 B12R1.130 C=C(F)CSCc1nc[nH]c1C 62a_100000042424_100000751220 [0,1,0,0,0,1|2,0,0]=4 1494 B12R1.130 C=C(F)CSCc1nc[nH]c1C 62a_100000751220_100000042424 [0,1,0,0,0,1|2,0,0]=4 1495 B12R1.130 CC(=O)CCSc1nc[nH]c1C 62a_100000053229_100010186451 [0,1,0,0,0,1|1,0,0]=3 1496 B12R1.130 CC(=O)CCSc1nc[nH]c1C 62a_100010186451_100000053229 [0,1,0,0,0,1|1,0,0]=3 1497 B12R1.130 CC(=O)CCSc1ncsc1C 62a_100000053229_100000732656 [0,1,0,0,0,1|2,0,0]=4 1498 B12R1.130 CC(=O)CCSc1ncsc1C 62a_100000732656_100000053229 [0,1,0,0,0,1|2,0,0]=4 1499 B12R1.130 CC(=O)COCc1ncoc1C 34a_100000211253_200000693990 [0,1,0,0,0,1|2,0,0]=4 1500 B12R1.130 CC(=O)OCSc1nc[nH]c1C 62a_100000076356_100010186451 [0,1,0,0,0,1|2,0,0]=4 1501 B12R1.130 CC(=O)OCSc1nc[nH]c1C 62a_100010186451_100000076356 [0,1,0,0,0,1|2,0,0]=4 1502 B12R1.130 Cc1[nH]cnc1CNCC(=O)N 2230a_100000711301_100000751220 [0,1,0,0,0,1|1,0,0]=3 1503 B12R1.130 Cc1[nH]cnc1CNCC(=O)O 269956a_100016091260_100000751220 [0,1,0,0,0,1|0,0,0]=2 1504 B12R1.130 Cc1[nH]cnc1CNCC(C)O 207a_100000210904_100000032982 [0,1,0,0,0,1|1,0,1]=4 1505 B12R1.130 Cc1[nH]cnc1CNCC(C)O 2230a_100000210904_100000751220 [0,1,0,0,0,1|1,0,1]=4 1506 B12R1.130 Cc1[nH]cnc1CSCC(=O)N 62a_100000747473_100000751220 [0,1,0,0,0,1|1,0,0]=3 1507 B12R1.130 Cc1[nH]cnc1CSCC(=O)N 62a_100000751220_100000747473 [0,1,0,0,0,1|1,0,0]=3 1508 B12R1.130 Cc1[nH]cnc1CSCC(=O)[O-] 62a_100000751220_100020667443 [0,1,0,0,0,1|0,0,1]=3 1509 B12R1.130 Cc1[nH]cnc1CSCC(=O)[O-] 62a_100020667443_100000751220 [0,1,0,0,0,1|0,0,1]=3 1510 B12R1.130 Cc1[nH]cnc1CSCC(C)O 62a_100000751220_100011218427 [0,1,0,0,0,1|1,0,1]=4 1511 B12R1.130 Cc1[nH]cnc1CSCC(C)O 62a_100011218427_100000751220 [0,1,0,0,0,1|1,0,1]=4 1512 B12R1.130 Cc1[nH]cnc1CSC[C@@H](C)O 62a_100000751220_100009817552 [0,1,0,0,0,1|1,0,1]=4 1513 B12R1.130 Cc1[nH]cnc1CSC[C@@H](C)O 62a_100009817552_100000751220 [0,1,0,0,0,1|1,0,1]=4 1514 B12R1.130 Cc1[nH]cnc1CSC[N+](=O)[O-] 62a_100000751220_100000761209 [0,1,0,0,0,1|1,0,1]=4 1515 B12R1.130 Cc1[nH]cnc1SCCC(=O)N 62a_100000744528_100010186451 [0,1,0,0,0,1|1,0,0]=3 1516 B12R1.130 Cc1[nH]cnc1SCCC(=O)N 62a_100010186451_100000744528 [0,1,0,0,0,1|1,0,0]=3 1517 B12R1.130 Cc1[nH]cnc1SCCC(C)O 62a_100010186451_100012276601 [0,1,0,0,0,1|1,0,1]=4 1518 B12R1.130 Cc1[nH]cnc1SCCC(C)O 62a_100012276601_100010186451 [0,1,0,0,0,1|1,0,1]=4 1519 B12R1.130 Cc1nonc1CNCC(=O)O 269956a_100016091260_200000044682 [0,1,0,0,0,1|1,0,1]=4 1520 B12R1.130 Cc1ocnc1CNCC(=O)N 2230a_100000711301_200000693990 [0,1,0,0,0,1|2,0,0]=4 1521 B12R1.130 Cc1ocnc1CNCC(=O)O 269956a_100016091260_200000693990 [0,1,0,0,0,1|1,0,0]=3 1522 B12R1.130 Cc1ocnc1COCC(=O)N 34a_100012017639_100000187820 [0,1,0,0,0,1|2,0,0]=4 1523 B12R1.130 Cc1ocnc1COCC(=O)[O-] 34a_100012017639_100020667443 [0,1,0,0,0,1|1,0,1]=4 1524 B12R1.130 Cc1ocnc1CSCC(=O)N 62a_100000747473_200000693990 [0,1,0,0,0,1|2,0,0]=4 1525 B12R1.130 Cc1ocnc1CSCC(=O)N 62a_200000693990_100000747473 [0,1,0,0,0,1|2,0,0]=4 1526 B12R1.130 Cc1ocnc1CSCC(=O)[O-] 62a_100020667443_200000693990 [0,1,0,0,0,1|1,0,1]=4 1527 B12R1.130 Cc1ocnc1CSCC(=O)[O-] 62a_200000693990_100020667443 [0,1,0,0,0,1|1,0,1]=4 1528 B12R1.130 Cc1scnc1SCCC(=O)N 62a_100000732656_100000744528 [0,1,0,0,0,1|2,0,0]=4 1529 B12R1.130 Cc1scnc1SCCC(=O)N 62a_100000744528_100000732656 [0,1,0,0,0,1|2,0,0]=4 1530 B12R1.130 Cn1ccnc1CNCC(=O)O 269956a_100016091260_100000700302 [0,1,0,0,0,1|2,0,0]=4 1531 B12R1.130 O=C(O)CNCc1ccsc1Br 269956a_100016091260_100009814289 [0,1,0,0,0,1|2,0,0]=4 1532 B12R1.130 O=C(O)CNCc1ccsc1Cl 269956a_100016091260_100010167017 [0,1,0,0,0,1|2,0,0]=4 1533 B12R1.130 O=C(O)CNCc1nnsc1Cl 269956a_100016091260_100000018852 [0,1,0,0,0,1|2,0,0]=4 1534 B12R1.260 C=C(C)CC(=O)Cc1c[nH]cn1 1458a_100015291406_100000748629 [0,1,0,0,0,1|2,0,0]=4 1535 B12R1.260 C=C(C)CN(C)Cc1c[nH]cn1 2230a_100000225649_100000707719 [0,1,0,0,0,1|2,0,0]=4 1536 B12R1.260 C=C(C)CN(C)Cc1c[nH]cn1 269982a_100000225649_100000707719 [0,1,0,0,0,1|2,0,0]=4 1537 B12R1.260 C=C(F)CC(=O)Cc1c[nH]cn1 1458a_100015291406_100009893438 [0,1,0,0,0,1|2,0,0]=4 1538 B12R1.260 CC(=O)OC(C)Sc1c[nH]cn1 62a_100000756875_100009818208 [0,1,0,0,0,1|2,0,0]=4 1539 B12R1.260 CC(=O)OC(C)Sc1c[nH]cn1 62a_100009818208_100000756875 [0,1,0,0,0,1|2,0,0]=4 1540 B12R1.260 CC(O)CC(=O)Cc1c[nH]cn1 1458a_100015291406_100011218427 [0,1,0,0,0,1|1,0,1]=4 1541 B12R1.260 CC(O)CN(C)Cc1c[nH]cn1 2230a_100000227577_100000707719 [0,1,0,0,0,1|1,0,1]=4 1542 B12R1.260 CC(O)CN(C)Cc1c[nH]cn1 269982a_100000227577_100000707719 [0,1,0,0,0,1|1,0,1]=4 1543 B12R1.260 CN(CC(=O)N)Cc1c[nH]cn1 2230a_100000739694_100000707719 [0,1,0,0,0,1|1,0,0]=3 1544 B12R1.260 CN(CC(=O)N)Cc1cocn1 270004a_100000739694_100000050382 [0,1,0,0,0,1|2,0,0]=4 1545 B12R1.260 CN(CC(=O)N)Cc1cscn1 2230a_100000225794_100000747473 [0,1,0,0,0,1|2,0,0]=4 1546 B12R1.260 CN(CC(=O)N)Cc1cscn1 2230a_100000739694_100000205941 [0,1,0,0,0,1|2,0,0]=4 1547 B12R1.260 CN(CC(=O)N)Cc1cscn1 269982a_100000225794_100000187820 [0,1,0,0,0,1|2,0,0]=4 1548 B12R1.260 CN(CC(=O)N)Cc1cscn1 270004a_100000739694_100000743575 [0,1,0,0,0,1|2,0,0]=4 1549 B12R1.260 CN(CC(=O)O)Cc1c[nH]cn1 269956a_100000746989_100000707719 [0,1,0,0,0,1|0,0,0]=2 1550 B12R1.260 CN(CC(=O)O)Cc1ccon1 269956a_100000746989_100000234950 [0,1,0,0,0,1|2,0,0]=4 1551 B12R1.260 CN(CC(=O)O)Cc1ccsc1 269956a_100000746989_100011261437 [0,1,0,0,0,1|2,0,0]=4 1552 B12R1.260 CN(CC(=O)O)Cc1cncs1 269956a_100000746989_100015185245 [0,1,0,0,0,1|1,0,1]=4 1553 B12R1.260 CN(CC(=O)O)Cc1cscn1 269956a_100000746989_100000205941 [0,1,0,0,0,1|1,0,0]=3 1554 B12R1.260 CN(CC(=O)O)Cc1ncc[nH]1 269956a_100000746989_100000753453 [0,1,0,0,0,1|2,0,0]=4 1555 B12R1.260 CN(CC(=O)O)Cc1ncco1 269956a_100000746989_103436540062 [0,1,0,0,0,1|2,0,0]=4 1556 B12R1.260 CN(CC(=O)O)Cc1nccs1 269956a_100000746989_100015184050 [0,1,0,0,0,1|2,0,0]=4 1557 B12R1.260 CN(CC(=O)O)Cc1ncon1 269956a_100000746989_100000233494 [0,1,0,0,0,1|2,0,0]=4 1558 B12R1.260 CN(CC(=O)O)Cn1cncn1 269956a_100000746989_200020645497 [0,1,0,0,0,1|1,0,1]=4 1559 B12R1.260 CN(CC(=O)[O-])Cc1cscn1 269982a_100000225794_100020667443 [0,1,0,0,0,1|1,0,1]=4 1560 B12R1.260 C[C@@H](O)CC(=O)Cc1c[nH]cn1 1458a_100011933948_100000707719 [0,1,0,0,0,1|1,0,1]=4 1561 B12R1.260 NC(=O)CC(=O)Cc1c[nH]cn1 1458a_100015291406_100000187820 [0,1,0,0,0,1|1,0,0]=3 1562 B12R1.260 NC(=O)CC(=O)Cc1c[nH]cn1 1458a_100134613110_100000707719 [0,1,0,0,0,1|1,0,0]=3 1563 B12R1.260 NC(=O)CC(=O)Cc1cscn1 1458a_100011438297_100000187820 [0,1,0,0,0,1|2,0,0]=4 1564 B12R1.260 NC(=O)CC(=O)Cc1cscn1 1458a_100134613110_100000205941 [0,1,0,0,0,1|2,0,0]=4 1565 B12R1.260 O=C(Cc1c[nH]cn1)C[N+](=O)[O-] 1458a_100015291406_100000761209 [0,1,0,0,0,1|1,0,1]=4 1566 B12R1.260 O=C([O-])CC(=O)Cc1c[nH]cn1 1458a_100015291406_100020667443 [0,1,0,0,0,1|0,0,1]=3 1567 B12R1.260 O=C([O-])CC(=O)Cc1cscn1 1458a_100011438297_100020667443 [0,1,0,0,0,1|1,0,1]=4 1568 B12R1.264 C=C(C)C(=O)CCc1c[nH]cn1 1458a_100000185857_100020628418 [0,1,0,0,0,1|2,0,0]=4 1569 B12R1.264 CC(=O)C(=O)CSc1c[nH]cn1 62a_100000756875_100011261029 [0,1,0,0,0,1|1,0,1]=4 1570 B12R1.264 CC(=O)C(=O)CSc1c[nH]cn1 62a_100011261029_100000756875 [0,1,0,0,0,1|1,0,1]=4 1571 B12R1.264 CC(=O)C(C)NCc1cscn1 2230a_100015185402_100009814033 [0,1,0,0,0,1|2,0,0]=4 1572 B12R1.264 CC(=O)C(C)OCc1c[nH]cn1 34a_100000212229_100000707719 [0,1,0,0,0,1|1,0,0]=3 1573 B12R1.264 CC(=O)C(C)OCc1cscn1 34a_100000212229_100000205941 [0,1,0,0,0,1|2,0,0]=4 1574 B12R1.264 CC(=O)C(C)SCc1c[nH]cn1 62a_100000707719_100009814033 [0,1,0,0,0,1|1,0,0]=3 1575 B12R1.264 CC(=O)C(C)SCc1c[nH]cn1 62a_100009814033_100000707719 [0,1,0,0,0,1|1,0,0]=3 1576 B12R1.264 CC(=O)C(C)SCc1cscn1 62a_100000205941_100009814033 [0,1,0,0,0,1|2,0,0]=4 1577 B12R1.264 CC(=O)C(C)SCc1cscn1 62a_100009814033_100000205941 [0,1,0,0,0,1|2,0,0]=4 1578 B12R1.264 CC(NCc1cscn1)C(=O)N 2230a_100015185402_100000702099 [0,1,0,0,0,1|2,0,0]=4 1579 B12R1.264 CC(SCc1c[nH]cn1)C(=O)N 62a_100000702099_100000707719 [0,1,0,0,0,1|1,0,0]=3 1580 B12R1.264 CC(SCc1c[nH]cn1)C(=O)N 62a_100000707719_100000702099 [0,1,0,0,0,1|1,0,0]=3 1581 B12R1.264 CC(SCc1cscn1)C(=O)N 62a_100000205941_100000702099 [0,1,0,0,0,1|2,0,0]=4 1582 B12R1.264 CC(SCc1cscn1)C(=O)N 62a_100000702099_100000205941 [0,1,0,0,0,1|2,0,0]=4 1583 B12R1.264 C[C@@H](NCc1c[nH]cn1)C(=O)N 2230a_100000119354_100000707719 [0,1,0,0,0,1|1,0,0]=3 1584 B12R1.264 C[C@@H](NCc1c[nH]cn1)C(=O)N 34a_100000119354_100000707719 [0,1,0,0,0,1|1,0,0]=3 1585 B12R1.264 C[C@@H](NCc1cocn1)C(=O)N 270004a_100000119354_100000050382 [0,1,0,0,0,1|2,0,0]=4 1586 B12R1.264 C[C@@H](NCc1cscn1)C(=O)N 2230a_100000119354_100000205941 [0,1,0,0,0,1|2,0,0]=4 1587 B12R1.264 C[C@@H](NCc1cscn1)C(=O)N 270004a_100000119354_100000743575 [0,1,0,0,0,1|2,0,0]=4 1588 B12R1.264 C[C@@H](NCc1cscn1)C(=O)N 34a_100000119354_100000205941 [0,1,0,0,0,1|2,0,0]=4 1589 B12R1.264 C[C@@H](O)C(=O)CCc1c[nH]cn1 1458a_100000717761_100020628418 [0,1,0,0,0,1|1,0,1]=4 1590 B12R1.264 C[C@@H](OCc1c[nH]cn1)C(=O)N 34a_100000731257_100000707719 [0,1,0,0,0,1|1,0,0]=3 1591 B12R1.264 C[C@@H](OCc1cscn1)C(=O)N 34a_100000731257_100000205941 [0,1,0,0,0,1|2,0,0]=4 1592 B12R1.264 C[C@@H](OCc1cscn1)C(=O)N 7a_100000731257_100000205941 [0,1,0,0,0,1|2,0,0]=4 1593 B12R1.264 C[C@H](NCc1c[nH]cn1)C(=O)O 269956a_100000743915_100000707719 [0,1,0,0,0,1|0,0,0]=2 1594 B12R1.264 C[C@H](NCc1ccon1)C(=O)O 269956a_100000743915_100000234950 [0,1,0,0,0,1|2,0,0]=4 1595 B12R1.264 C[C@H](NCc1ccsc1)C(=O)O 269956a_100000743915_100011261437 [0,1,0,0,0,1|2,0,0]=4 1596 B12R1.264 C[C@H](NCc1cncs1)C(=O)O 269956a_100000743915_100015185245 [0,1,0,0,0,1|1,0,1]=4 1597 B12R1.264 C[C@H](NCc1cscn1)C(=O)O 269956a_100000743915_100000205941 [0,1,0,0,0,1|1,0,0]=3 1598 B12R1.264 C[C@H](NCc1ncc[nH]1)C(=O)O 269956a_100000743915_100000753453 [0,1,0,0,0,1|2,0,0]=4 1599 B12R1.264 C[C@H](NCc1ncco1)C(=O)O 269956a_100000743915_103436540062 [0,1,0,0,0,1|2,0,0]=4 1600 B12R1.264 C[C@H](NCc1nccs1)C(=O)O 269956a_100000743915_100015184050 [0,1,0,0,0,1|2,0,0]=4 1601 B12R1.264 C[C@H](NCc1ncon1)C(=O)O 269956a_100000743915_100000233494 [0,1,0,0,0,1|2,0,0]=4 1602 B12R1.264 C[C@H](NCn1cncn1)C(=O)O 269956a_100000743915_200020645497 [0,1,0,0,0,1|1,0,1]=4 1603 B12R1.264 C[C@H](O)C(=O)CCc1c[nH]cn1 1458a_217856618621_100020628418 [0,1,0,0,0,1|1,0,1]=4 1604 B12R1.264 C[C@H](OCc1cscn1)C(=O)[O-] 7a_217856618621_100000205941 [0,1,0,0,0,1|1,0,1]=4 1605 B12R1.264 NC(=O)C(=O)NCc1c[nH]cn1 240690a_100000758547_100011215815 [0,1,0,0,0,1|1,0,1]=4 1606 B12R1.264 NC(=O)C(F)NCc1cscn1 2230a_100015185402_100009813875 [0,1,0,0,0,1|2,0,0]=4 1607 B12R1.264 NC(=O)C(F)SCc1c[nH]cn1 62a_100000707719_100009813875 [0,1,0,0,0,1|1,0,0]=3 1608 B12R1.264 NC(=O)C(F)SCc1c[nH]cn1 62a_100009813875_100000707719 [0,1,0,0,0,1|1,0,0]=3 1609 B12R1.264 NC(=O)C(F)SCc1cscn1 62a_100000205941_100009813875 [0,1,0,0,0,1|2,0,0]=4 1610 B12R1.264 NC(=O)C(F)SCc1cscn1 62a_100009813875_100000205941 [0,1,0,0,0,1|2,0,0]=4 1611 B12R1.264 O=C(CCc1c[nH]cn1)C(O)O 1458a_100000233687_100020628418 [0,1,0,0,0,1|0,0,2]=4 1612 B12R1.264 O=C([O-])C(F)SCc1c[nH]cn1 62a_100000707719_100020610796 [0,1,0,0,0,1|0,0,1]=3 1613 B12R1.264 O=C([O-])C(F)SCc1c[nH]cn1 62a_100020610796_100000707719 [0,1,0,0,0,1|0,0,1]=3 1614 B12R1.264 O=C([O-])C(F)SCc1cscn1 62a_100000205941_100020610796 [0,1,0,0,0,1|1,0,1]=4 1615 B12R1.264 O=C([O-])C(F)SCc1cscn1 62a_100020610796_100000205941 [0,1,0,0,0,1|1,0,1]=4 1616 B12R1.477 C=C(C#N)CSCc1c[nH]cn1 62a_100000707719_100000694840 [0,1,0,0,0,1|2,0,0]=4 1617 B12R1.477 C=CC(O)CSCc1c[nH]cn1 62a_100000707719_100000730141 [0,1,0,0,0,1|1,0,1]=4 1618 B12R1.477 C=CC(O)CSCc1c[nH]cn1 62a_100000730141_100000707719 [0,1,0,0,0,1|1,0,1]=4 1619 B12R1.477 CC(CO)CNCc1c[nH]cn1 34a_100000744482_100000707719 [0,1,0,0,0,1|1,0,1]=4 1620 B12R1.477 CC(CO)SCCc1c[nH]cn1 62a_100012180447_100020628418 [0,1,0,0,0,1|1,0,1]=4 1621 B12R1.477 CCC(=O)COCc1c[nH]cn1 34a_100000725409_100000707719 [0,1,0,0,0,1|1,0,0]=3 1622 B12R1.477 CCC(=O)COCc1cscn1 34a_100000725409_100000205941 [0,1,0,0,0,1|2,0,0]=4 1623 B12R1.477 CCC(=O)CSCc1c[nH]cn1 62a_100000707719_100000747405 [0,1,0,0,0,1|1,0,0]=3 1624 B12R1.477 CCC(=O)CSCc1c[nH]cn1 62a_100000747405_100000707719 [0,1,0,0,0,1|1,0,0]=3 1625 B12R1.477 CCC(=O)CSCc1cscn1 62a_100000205941_100000747405 [0,1,0,0,0,1|2,0,0]=4 1626 B12R1.477 CCC(=O)CSCc1cscn1 62a_100000747405_100000205941 [0,1,0,0,0,1|2,0,0]=4 1627 B12R1.477 CCC(=O)NCCc1c[nH]cn1 11a_100000755092_100000210414 [0,1,0,0,0,1|1,0,0]=3 1628 B12R1.477 CCC(=O)NCCc1c[nH]cn1 527a_100000755092_100000210414 [0,1,0,0,0,1|1,0,0]=3 1629 B12R1.477 CCC(O)CNCc1c[nH]cn1 2230a_100011218483_100000707719 [0,1,0,0,0,1|1,0,1]=4 1630 B12R1.477 CCC(O)CSCc1c[nH]cn1 62a_100000707719_100011218378 [0,1,0,0,0,1|1,0,1]=4 1631 B12R1.477 CCC(O)CSCc1c[nH]cn1 62a_100011218378_100000707719 [0,1,0,0,0,1|1,0,1]=4 1632 B12R1.477 CNC(=O)CCSc1c[nH]cn1 62a_100000737683_100000756875 [0,1,0,0,0,1|1,0,0]=3 1633 B12R1.477 CNC(=O)CCSc1c[nH]cn1 62a_100000756875_100000737683 [0,1,0,0,0,1|1,0,0]=3 1634 B12R1.477 CNC(=O)CCSc1c[nH]nn1 62a_100000737683_100009819707 [0,1,0,0,0,1|2,0,0]=4 1635 B12R1.477 CNC(=O)CCSc1c[nH]nn1 62a_100009819707_100000737683 [0,1,0,0,0,1|2,0,0]=4 1636 B12R1.477 CNC(=O)CCSc1cscn1 62a_100000737683_100000751502 [0,1,0,0,0,1|2,0,0]=4 1637 B12R1.477 CNC(=O)CCSc1cscn1 62a_100000751502_100000737683 [0,1,0,0,0,1|2,0,0]=4 1638 B12R1.477 CNC(=O)CCSc1nc[nH]n1 62a_100000737683_100000761765 [0,1,0,0,0,1|2,0,0]=4 1639 B12R1.477 CNC(=O)CCSc1nc[nH]n1 62a_100000761765_100000737683 [0,1,0,0,0,1|2,0,0]=4 1640 B12R1.477 CNC(=O)CNCc1c[nH]cn1 2230a_100000693194_100000707719 [0,1,0,0,0,1|1,0,0]=3 1641 B12R1.477 CNC(=O)CNCc1cocn1 270004a_100000693194_100000050382 [0,1,0,0,0,1|2,0,0]=4 1642 B12R1.477 CNC(=O)CNCc1cscn1 207a_100000693194_100000743575 [0,1,0,0,0,1|2,0,0]=4 1643 B12R1.477 CNC(=O)CNCc1cscn1 2230a_100000693194_100000205941 [0,1,0,0,0,1|2,0,0]=4 1644 B12R1.477 CNC(=O)CNCc1cscn1 2230a_100015185402_100000183359 [0,1,0,0,0,1|2,0,0]=4 1645 B12R1.477 CNC(=O)CNCc1cscn1 270004a_100000693194_100000743575 [0,1,0,0,0,1|2,0,0]=4 1646 B12R1.477 CNC(=O)COCc1c[nH]cn1 34a_100000750040_100000707719 [0,1,0,0,0,1|1,0,0]=3 1647 B12R1.477 CNC(=O)COCc1cscn1 34a_100000750040_100000205941 [0,1,0,0,0,1|2,0,0]=4 1648 B12R1.477 CNC(=O)CSCc1c[nH]cn1 62a_100000183359_100000707719 [0,1,0,0,0,1|1,0,0]=3 1649 B12R1.477 CNC(=O)CSCc1c[nH]cn1 62a_100000707719_100000183359 [0,1,0,0,0,1|1,0,0]=3 1650 B12R1.477 CNC(=O)CSCc1cscn1 62a_100000183359_100000205941 [0,1,0,0,0,1|2,0,0]=4 1651 B12R1.477 CNC(=O)CSCc1cscn1 62a_100000205941_100000183359 [0,1,0,0,0,1|2,0,0]=4 1652 B12R1.477 CNC(=O)NCCc1c[nH]cn1 2708a_100000755092_106832991635 [0,1,0,0,0,1|1,0,0]=3 1653 B12R1.477 CNC(=O)NCCc1c[nH]cn1 2708a_100102657272_100000755092 [0,1,0,0,0,1|1,0,0]=3 1654 B12R1.477 CNC(=O)NCCc1c[nH]cn1 273464a_100000755092_100102657272 [0,1,0,0,0,1|1,0,0]=3 1655 B12R1.477 CNC(=O)NCCc1c[nH]cn1 273464a_100102657272_100000755092 [0,1,0,0,0,1|1,0,0]=3 1656 B12R1.477 CNC(=O)NCCc1c[nH]cn1 512a_100000755092_100102657272 [0,1,0,0,0,1|1,0,0]=3 1657 B12R1.477 CNC(=O)NCCc1c[nH]cn1 512a_106832991638_100000755092 [0,1,0,0,0,1|1,0,0]=3 1658 B12R1.477 COC(=O)CCOc1ccsc1 34a_100000106738_100000742370 [0,1,0,0,0,1|2,0,0]=4 1659 B12R1.477 COC(=O)CCOc1ccsc1 7a_100000106738_100000204255 [0,1,0,0,0,1|2,0,0]=4 1660 B12R1.477 COC(=O)CCSc1c[nH]cn1 62a_100000204255_100000756875 [0,1,0,0,0,1|0,0,0]=2 1661 B12R1.477 COC(=O)CCSc1c[nH]cn1 62a_100000756875_100000204255 [0,1,0,0,0,1|0,0,0]=2 1662 B12R1.477 COC(=O)CCSc1c[nH]nn1 62a_100000204255_100009819707 [0,1,0,0,0,1|1,0,0]=3 1663 B12R1.477 COC(=O)CCSc1c[nH]nn1 62a_100009819707_100000204255 [0,1,0,0,0,1|1,0,0]=3 1664 B12R1.477 COC(=O)CCSc1cc[nH]n1 62a_100000062575_100000204255 [0,1,0,0,0,1|2,0,0]=4 1665 B12R1.477 COC(=O)CCSc1cc[nH]n1 62a_100000204255_100000062575 [0,1,0,0,0,1|2,0,0]=4 1666 B12R1.477 COC(=O)CCSc1ccco1 62a_100000204255_100009814098 [0,1,0,0,0,1|2,0,0]=4 1667 B12R1.477 COC(=O)CCSc1ccco1 62a_100009814098_100000204255 [0,1,0,0,0,1|2,0,0]=4 1668 B12R1.477 COC(=O)CCSc1cccs1 62a_100000204255_100011215356 [0,1,0,0,0,1|2,0,0]=4 1669 B12R1.477 COC(=O)CCSc1cccs1 62a_100011215356_100000204255 [0,1,0,0,0,1|2,0,0]=4 1670 B12R1.477 COC(=O)CCSc1ccoc1 62a_100000204255_100011215275 [0,1,0,0,0,1|2,0,0]=4 1671 B12R1.477 COC(=O)CCSc1ccoc1 62a_100011215275_100000204255 [0,1,0,0,0,1|2,0,0]=4 1672 B12R1.477 COC(=O)CCSc1ccon1 62a_100000204255_100009818083 [0,1,0,0,0,1|2,0,0]=4 1673 B12R1.477 COC(=O)CCSc1ccon1 62a_100009818083_100000204255 [0,1,0,0,0,1|2,0,0]=4 1674 B12R1.477 COC(=O)CCSc1ccsc1 62a_100000204255_100000738268 [0,1,0,0,0,1|2,0,0]=4 1675 B12R1.477 COC(=O)CCSc1ccsc1 62a_100000738268_100000204255 [0,1,0,0,0,1|2,0,0]=4 1676 B12R1.477 COC(=O)CCSc1ccsn1 62a_100000204255_100009818082 [0,1,0,0,0,1|2,0,0]=4 1677 B12R1.477 COC(=O)CCSc1ccsn1 62a_100009818082_100000204255 [0,1,0,0,0,1|2,0,0]=4 1678 B12R1.477 COC(=O)CCSc1cn[nH]c1 62a_100000204255_100000238712 [0,1,0,0,0,1|2,0,0]=4 1679 B12R1.477 COC(=O)CCSc1cn[nH]c1 62a_100000238712_100000204255 [0,1,0,0,0,1|2,0,0]=4 1680 B12R1.477 COC(=O)CCSc1cnco1 62a_100000204255_100020591547 [0,1,0,0,0,1|1,0,1]=4 1681 B12R1.477 COC(=O)CCSc1cnco1 62a_100020591547_100000204255 [0,1,0,0,0,1|1,0,1]=4 1682 B12R1.477 COC(=O)CCSc1cncs1 62a_100000204255_100011934649 [0,1,0,0,0,1|1,0,1]=4 1683 B12R1.477 COC(=O)CCSc1cncs1 62a_100011934649_100000204255 [0,1,0,0,0,1|1,0,1]=4 1684 B12R1.477 COC(=O)CCSc1cscn1 62a_100000204255_100000751502 [0,1,0,0,0,1|1,0,0]=3 1685 B12R1.477 COC(=O)CCSc1cscn1 62a_100000751502_100000204255 [0,1,0,0,0,1|1,0,0]=3 1686 B12R1.477 COC(=O)CCSc1nc[nH]n1 62a_100000204255_100000761765 [0,1,0,0,0,1|1,0,0]=3 1687 B12R1.477 COC(=O)CCSc1nc[nH]n1 62a_100000761765_100000204255 [0,1,0,0,0,1|1,0,0]=3 1688 B12R1.477 COC(=O)CCSc1ncc[nH]1 62a_100000204255_100025796157 [0,1,0,0,0,1|2,0,0]=4 1689 B12R1.477 COC(=O)CCSc1ncc[nH]1 62a_100025796157_100000204255 [0,1,0,0,0,1|2,0,0]=4 1690 B12R1.477 COC(=O)CCSc1ncco1 62a_100000204255_100011787736 [0,1,0,0,0,1|2,0,0]=4 1691 B12R1.477 COC(=O)CCSc1ncco1 62a_100011787736_100000204255 [0,1,0,0,0,1|2,0,0]=4 1692 B12R1.477 COC(=O)CCSc1nccs1 62a_100000204255_100000211983 [0,1,0,0,0,1|2,0,0]=4 1693 B12R1.477 COC(=O)CCSc1nccs1 62a_100000211983_100000204255 [0,1,0,0,0,1|2,0,0]=4 1694 B12R1.477 COC(=O)CCSc1ncns1 62a_100000204255_100000693119 [0,1,0,0,0,1|1,0,1]=4 1695 B12R1.477 COC(=O)CCSc1ncns1 62a_100000693119_100000204255 [0,1,0,0,0,1|1,0,1]=4 1696 B12R1.477 COC(=O)CNCc1ccco1 2230a_100000185738_100000747449 [0,1,0,0,0,1|2,0,0]=4 1697 B12R1.477 COC(=O)CNCc1ccco1 34a_100000185738_100000747449 [0,1,0,0,0,1|2,0,0]=4 1698 B12R1.477 COC(=O)CNCc1cccs1 2230a_100000211653_100000747449 [0,1,0,0,0,1|2,0,0]=4 1699 B12R1.477 COC(=O)CNCc1ccoc1 2230a_100015206860_100000747449 [0,1,0,0,0,1|2,0,0]=4 1700 B12R1.477 COC(=O)CNCc1ccoc1 34a_100015206860_100000747449 [0,1,0,0,0,1|2,0,0]=4 1701 B12R1.477 COC(=O)CNCc1ccsc1 2230a_100000186416_100000747449 [0,1,0,0,0,1|2,0,0]=4 1702 B12R1.477 COC(=O)CNCc1ccsc1 34a_100000186416_100000747449 [0,1,0,0,0,1|2,0,0]=4 1703 B12R1.477 COC(=O)CNCc1cncs1 2230a_100016987365_100000747449 [0,1,0,0,0,1|1,0,1]=4 1704 B12R1.477 COC(=O)CNCc1cscn1 2230a_100015185402_100000747449 [0,1,0,0,0,1|1,0,0]=3 1705 B12R1.477 COC(=O)CNCc1ncco1 2230a_100016994969_100000747449 [0,1,0,0,0,1|2,0,0]=4 1706 B12R1.477 COC(=O)CNCc1nccs1 2230a_100000740555_100000747449 [0,1,0,0,0,1|2,0,0]=4 1707 B12R1.477 COC(=O)COCc1ccco1 34a_100000210059_100000747449 [0,1,0,0,0,1|2,0,0]=4 1708 B12R1.477 COC(=O)COCc1cccs1 34a_100000211240_100000747449 [0,1,0,0,0,1|2,0,0]=4 1709 B12R1.477 COC(=O)COCc1ccoc1 34a_100011215357_100000747449 [0,1,0,0,0,1|2,0,0]=4 1710 B12R1.477 COC(=O)COCc1ccsc1 34a_100011215551_100000747449 [0,1,0,0,0,1|2,0,0]=4 1711 B12R1.477 COC(=O)COCc1ncco1 34a_100000062594_100000747449 [0,1,0,0,0,1|2,0,0]=4 1712 B12R1.477 COC(=O)COCn1cccn1 34a_100000731028_100000747449 [0,1,0,0,0,1|2,0,0]=4 1713 B12R1.477 COC(=O)CSCc1c[nH]cn1 62a_100000707719_100000747449 [0,1,0,0,0,1|0,0,0]=2 1714 B12R1.477 COC(=O)CSCc1c[nH]cn1 62a_100000747449_100000707719 [0,1,0,0,0,1|0,0,0]=2 1715 B12R1.477 COC(=O)CSCc1ccon1 62a_100000234950_100000747449 [0,1,0,0,0,1|2,0,0]=4 1716 B12R1.477 COC(=O)CSCc1ccon1 62a_100000747449_100000234950 [0,1,0,0,0,1|2,0,0]=4 1717 B12R1.477 COC(=O)CSCc1ccsc1 62a_100000747449_100011233845 [0,1,0,0,0,1|2,0,0]=4 1718 B12R1.477 COC(=O)CSCc1ccsc1 62a_100011261437_100000747449 [0,1,0,0,0,1|2,0,0]=4 1719 B12R1.477 COC(=O)CSCc1cncs1 62a_100000747449_100015185245 [0,1,0,0,0,1|1,0,1]=4 1720 B12R1.477 COC(=O)CSCc1cncs1 62a_100015185245_100000747449 [0,1,0,0,0,1|1,0,1]=4 1721 B12R1.477 COC(=O)CSCc1cscn1 62a_100000205941_100000747449 [0,1,0,0,0,1|1,0,0]=3 1722 B12R1.477 COC(=O)CSCc1cscn1 62a_100000747449_100000205941 [0,1,0,0,0,1|1,0,0]=3 1723 B12R1.477 COC(=O)CSCc1ncc[nH]1 62a_100000747449_100016991755 [0,1,0,0,0,1|2,0,0]=4 1724 B12R1.477 COC(=O)CSCc1ncc[nH]1 62a_100016991755_100000747449 [0,1,0,0,0,1|2,0,0]=4 1725 B12R1.477 COC(=O)CSCc1ncco1 62a_100000747449_103436540062 [0,1,0,0,0,1|2,0,0]=4 1726 B12R1.477 COC(=O)CSCc1ncco1 62a_103436540062_100000747449 [0,1,0,0,0,1|2,0,0]=4 1727 B12R1.477 COC(=O)CSCc1nccs1 62a_100000747449_100015184050 [0,1,0,0,0,1|2,0,0]=4 1728 B12R1.477 COC(=O)CSCc1nccs1 62a_100015184050_100000747449 [0,1,0,0,0,1|2,0,0]=4 1729 B12R1.477 COC(=O)CSCc1ncon1 62a_100000233494_100000747449 [0,1,0,0,0,1|2,0,0]=4 1730 B12R1.477 COC(=O)CSCc1ncon1 62a_100000747449_100000233494 [0,1,0,0,0,1|2,0,0]=4 1731 B12R1.477 COC(=O)CSCn1cncn1 62a_100000747449_200020645497 [0,1,0,0,0,1|1,0,1]=4 1732 B12R1.477 COC(=O)CSCn1cncn1 62a_200020645497_100000747449 [0,1,0,0,0,1|1,0,1]=4 1733 B12R1.477 COC(=O)OCSc1c[nH]cn1 62a_100000756875_100000139417 [0,1,0,0,0,1|1,0,0]=3 1734 B12R1.477 COC(=O)OCSc1c[nH]nn1 62a_100009819707_100000139417 [0,1,0,0,0,1|2,0,0]=4 1735 B12R1.477 COC(=O)OCSc1cscn1 62a_100000751502_100000139417 [0,1,0,0,0,1|2,0,0]=4 1736 B12R1.477 COC(=O)OCSc1nc[nH]n1 62a_100000761765_100000139417 [0,1,0,0,0,1|2,0,0]=4 1737 B12R1.477 COC(C)COCc1c[nH]cn1 34a_100000690652_100000707719 [0,1,0,0,0,1|1,0,1]=4 1738 B12R1.477 COC(C)SCCc1c[nH]cn1 62a_100009879195_100020628418 [0,1,0,0,0,1|1,0,1]=4 1739 B12R1.477 COC(C)SCCc1c[nH]cn1 62a_100020628418_100009879195 [0,1,0,0,0,1|1,0,1]=4 1740 B12R1.477 CO[C@H](C)CNCc1c[nH]cn1 2230a_100020591295_100000707719 [0,1,0,0,0,1|1,0,1]=4 1741 B12R1.477 C[C@@H](CO)CSCc1c[nH]cn1 62a_100000059175_100000707719 [0,1,0,0,0,1|1,0,1]=4 1742 B12R1.477 C[C@@H](CO)CSCc1c[nH]cn1 62a_100000707719_100000059175 [0,1,0,0,0,1|1,0,1]=4 1743 B12R1.477 C[C@H](CO)NCCc1c[nH]cn1 2230a_100000737577_100020628418 [0,1,0,0,0,1|1,0,1]=4 1744 B12R1.477 C[C@H](CO)SCCc1c[nH]cn1 62a_100016084084_100020628418 [0,1,0,0,0,1|1,0,1]=4 1745 B12R1.477 C[C@H](CO)SCCc1c[nH]cn1 62a_100020628418_100016084084 [0,1,0,0,0,1|1,0,1]=4 1746 B12R1.477 O=C(CO)CCCc1cccs1 1458a_100000210174_100010992444 [0,1,0,0,0,1|2,0,0]=4 1747 B12R1.477 O=C(CO)CCCn1cccn1 1458a_100000210174_100000739983 [0,1,0,0,0,1|2,0,0]=4 1748 B12R1.477 O=C(CO)CCCn1cncn1 1458a_100000210174_100102700105 [0,1,0,0,0,1|1,0,1]=4 1749 B12R1.477 O=C(CO)NCCc1c[nH]cn1 527a_100000755092_100000210174 [0,1,0,0,0,1|0,0,0]=2 1750 B12R1.477 O=C(CO)NCCc1ccco1 240690a_100000694680_100000210174 [0,1,0,0,0,1|2,0,0]=4 1751 B12R1.477 O=C(CO)NCCc1ccco1 527a_100000694680_100000210174 [0,1,0,0,0,1|2,0,0]=4 1752 B12R1.477 O=C(CO)NCCc1cccs1 240690a_100000203755_100000210174 [0,1,0,0,0,1|2,0,0]=4 1753 B12R1.477 O=C(CO)NCCc1cccs1 527a_100000203755_100000210174 [0,1,0,0,0,1|2,0,0]=4 1754 B12R1.477 O=C(CO)NCCc1ccsc1 240690a_100000692642_100000210174 [0,1,0,0,0,1|2,0,0]=4 1755 B12R1.477 O=C(CO)NCCc1ccsc1 527a_100000692642_100000210174 [0,1,0,0,0,1|2,0,0]=4 1756 B12R1.477 O=C(CO)NCCc1cn[nH]c1 240690a_100000732747_100000210174 [0,1,0,0,0,1|2,0,0]=4 1757 B12R1.477 O=C(CO)NCCc1cn[nH]c1 527a_100000732747_100000210174 [0,1,0,0,0,1|2,0,0]=4 1758 B12R1.477 O=C(CO)NCCc1cncs1 240690a_100016991637_100000210174 [0,1,0,0,0,1|1,0,1]=4 1759 B12R1.477 O=C(CO)NCCc1cncs1 527a_100016991637_100000210174 [0,1,0,0,0,1|1,0,1]=4 1760 B12R1.477 O=C(CO)NCCc1ncc[nH]1 240690a_100000754300_100000210174 [0,1,0,0,0,1|2,0,0]=4 1761 B12R1.477 O=C(CO)NCCc1ncc[nH]1 527a_100000754300_100000210174 [0,1,0,0,0,1|2,0,0]=4 1762 B12R1.477 O=C(CO)NCCc1nccs1 240690a_100015186391_100000210174 [0,1,0,0,0,1|2,0,0]=4 1763 B12R1.477 O=C(CO)NCCc1nccs1 527a_100015186391_100000210174 [0,1,0,0,0,1|2,0,0]=4 1764 B12R1.477 O=C(CO)NCCn1cccn1 240690a_100011200920_100000210174 [0,1,0,0,0,1|2,0,0]=4 1765 B12R1.477 O=C(CO)NCCn1cccn1 527a_100011200920_100000210174 [0,1,0,0,0,1|2,0,0]=4 1766 B12R1.477 O=C(CO)NCCn1cncn1 240690a_200000738561_100000210174 [0,1,0,0,0,1|1,0,1]=4 1767 B12R1.477 OCC(O)CSCc1c[nH]cn1 62a_100000707719_100011219619 [0,1,0,0,0,1|0,0,2]=4 1768 B12R1.477 OCC(O)CSCc1c[nH]cn1 62a_100011219619_100000707719 [0,1,0,0,0,1|0,0,2]=4 1769 B12R1.477 OC[C@@H](O)CNCc1c[nH]cn1 2230a_100020644852_100000707719 [0,1,0,0,0,1|0,0,2]=4 1770 B12R1.477 OC[C@H](F)CNCc1c[nH]cn1 34a_100015665980_100000707719 [0,1,0,0,0,1|1,0,1]=4 1771 B12R1.477 OC[C@H](O)CSCc1c[nH]cn1 62a_100000707719_100009815848 [0,1,0,0,0,1|0,0,2]=4 1772 B12R1.477 OC[C@H](O)CSCc1c[nH]cn1 62a_100009815848_100000707719 [0,1,0,0,0,1|0,0,2]=4 1773 B12R1.477 O[C@@H](CF)CSCc1c[nH]cn1 62a_100000707719_100015614560 [0,1,0,0,0,1|1,0,1]=4 1774 B12R1.477 O[C@@H](CF)CSCc1c[nH]cn1 62a_100015614560_100000707719 [0,1,0,0,0,1|1,0,1]=4 1775 B12R1.890 CC(C)(O)CCSc1c[nH]cn1 62a_100000702414_100000756875 [0,1,0,0,0,1|1,0,1]=4 1776 B12R1.890 CC(C)(O)CCSc1c[nH]cn1 62a_100000756875_100000702414 [0,1,0,0,0,1|1,0,1]=4 1777 B12R1.890 CC(C)(O)CNCc1c[nH]cn1 2230a_100000751335_100000707719 [0,1,0,0,0,1|1,0,1]=4 1778 B12R1.890 CC(C)(O)CSCc1c[nH]cn1 62a_100000707719_100000764493 [0,1,0,0,0,1|1,0,1]=4 1779 B12R1.890 CC(C)(O)CSCc1c[nH]cn1 62a_100000764493_100000707719 [0,1,0,0,0,1|1,0,1]=4 1780 B12R1.890 CS(=O)(=O)CCSc1c[nH]cn1 62a_100000731031_100000756875 [0,1,0,0,0,1|1,0,1]=4 1781 B12R1.890 CS(=O)(=O)CCSc1c[nH]cn1 62a_100000756875_100000230027 [0,1,0,0,0,1|1,0,1]=4 1782 B12R1.890 NS(=O)(=O)CSCc1c[nH]cn1 62a_100000707719_100000741382 [0,1,0,0,0,1|1,0,1]=4 1783 B12R1.890 NS(=O)(=O)CSCc1c[nH]cn1 62a_100000741382_100000707719 [0,1,0,0,0,1|1,0,1]=4 1784 B12R1.890 O=S(=O)([O-])CCSc1c[nH]cn1 62a_100000756875_100000762736 [0,1,0,0,0,1|1,0,1]=4 1785 B12R1.890 O=S(=O)([O-])CCSc1c[nH]cn1 62a_100000762736_100000756875 [0,1,0,0,0,1|1,0,1]=4 1786 B12R1.890 O=S(=O)([O-])CSCc1c[nH]cn1 62a_100000707719_100009817235 [0,1,0,0,0,1|1,0,1]=4 1787 B12R1.890 O=S(=O)([O-])CSCc1c[nH]cn1 62a_100009817235_100000707719 [0,1,0,0,0,1|1,0,1]=4 1788 B12R1.15 CC(CC(=O)CO)n1cncn1 1458a_100000210174_200015185000 [0,2,0,0,0,0|1,0,1]=4 1789 B12R1.26 C#CC(=O)CCc1csc(n1)C 1458a_100000211873_100000695623 [0,2,0,0,0,0|2,0,0]=4 1790 B12R1.26 C=CC(=O)CCc1csc(n1)C 1458a_100000185746_100000695623 [0,2,0,0,0,0|2,0,0]=4 1791 B12R1.26 C=CC(=O)NCc1cn(cn1)C 1626a_100011834058_100000185746 [0,2,0,0,0,0|2,0,0]=4 1792 B12R1.26 C=CC(=O)NCc1cn(cn1)C 240690a_100011834058_200121576911 [0,2,0,0,0,0|2,0,0]=4 1793 B12R1.26 CCC(=O)CCc1csc(n1)C 1458a_100000210414_100000695623 [0,2,0,0,0,0|2,0,0]=4 1794 B12R1.26 CCC(=O)CCc1n[nH]c(n1)C 1458a_102515433058_100000210202 [0,2,0,0,0,0|2,0,0]=4 1795 B12R1.26 CCC(=O)CSc1c[nH]c(n1)C 62a_100000747405_100009814057 [0,2,0,0,0,0|2,0,0]=4 1796 B12R1.26 CCC(=O)CSc1c[nH]c(n1)C 62a_100009814057_100000747405 [0,2,0,0,0,0|2,0,0]=4 1797 B12R1.26 CCC(=O)CSc1cn(cn1)C 62a_100000040308_100000747405 [0,2,0,0,0,0|2,0,0]=4 1798 B12R1.26 CCC(=O)CSc1cn(cn1)C 62a_100000747405_100000040308 [0,2,0,0,0,0|2,0,0]=4 1799 B12R1.26 CCC(=O)NCc1cn(cn1)C 11a_100011834058_100000210414 [0,2,0,0,0,0|2,0,0]=4 1800 B12R1.26 CCC(=O)NCc1cn(cn1)C 1626a_100011834058_100000210414 [0,2,0,0,0,0|2,0,0]=4 1801 B12R1.26 CCC(=O)NCc1cn(cn1)C 240690a_100011834058_100000210414 [0,2,0,0,0,0|2,0,0]=4 1802 B12R1.26 CCC(=O)NCc1cn(cn1)C 527a_100011834058_100000210414 [0,2,0,0,0,0|2,0,0]=4 1803 B12R1.26 CNC(=O)CCc1n[nH]c(n1)C 240690a_100102657272_102515433058 [0,2,0,0,0,0|2,0,0]=4 1804 B12R1.26 CNC(=O)CCc1n[nH]c(n1)C 527a_100102657272_102515433058 [0,2,0,0,0,0|2,0,0]=4 1805 B12R1.26 CNC(=O)CSc1c[nH]c(n1)C 62a_100000183359_100009814057 [0,2,0,0,0,0|2,0,0]=4 1806 B12R1.26 CNC(=O)CSc1c[nH]c(n1)C 62a_100009814057_100000183359 [0,2,0,0,0,0|2,0,0]=4 1807 B12R1.26 CNC(=O)CSc1cn(cn1)C 62a_100000040308_100000183359 [0,2,0,0,0,0|2,0,0]=4 1808 B12R1.26 CNC(=O)CSc1cn(cn1)C 62a_100000183359_100000040308 [0,2,0,0,0,0|2,0,0]=4 1809 B12R1.26 CNC(=O)NCc1cn(cn1)C 2708a_100011834058_106832991635 [0,2,0,0,0,0|2,0,0]=4 1810 B12R1.26 CNC(=O)NCc1cn(cn1)C 2708a_100102657272_100011834058 [0,2,0,0,0,0|2,0,0]=4 1811 B12R1.26 CNC(=O)NCc1cn(cn1)C 273464a_100011834058_100102657272 [0,2,0,0,0,0|2,0,0]=4 1812 B12R1.26 CNC(=O)NCc1cn(cn1)C 273464a_100102657272_100011834058 [0,2,0,0,0,0|2,0,0]=4 1813 B12R1.26 CNC(=O)NCc1cn(cn1)C 512a_100011834058_100102657272 [0,2,0,0,0,0|2,0,0]=4 1814 B12R1.26 CNC(=O)NCc1cn(cn1)C 512a_106832991638_100011834058 [0,2,0,0,0,0|2,0,0]=4 1815 B12R1.26 COC(=O)CCc1cn(nn1)C 274090a_200000210301_100012180771 [0,2,0,0,0,0|1,0,0]=3 1816 B12R1.26 COC(=O)CCc1cn(nn1)[13CH3] 274090a_200025704644_100012180771 [0,2,0,0,0,0|1,0,0]=3 1817 B12R1.26 COC(=O)CCc1nc(no1)C 270196a_100000212224_100000187943 [0,2,0,0,0,0|1,0,1]=4 1818 B12R1.26 COC(=O)CCn1cc(cn1)O 271570a_203496583355_200012072400 [0,2,0,0,0,0|2,0,0]=4 1819 B12R1.26 COC(=O)CSc1c[nH]c(n1)C 62a_100000747449_100009814057 [0,2,0,0,0,0|1,0,0]=3 1820 B12R1.26 COC(=O)CSc1c[nH]c(n1)C 62a_100009814057_100000747449 [0,2,0,0,0,0|1,0,0]=3 1821 B12R1.26 COC(=O)CSc1cn(cn1)C 62a_100000040308_100000747449 [0,2,0,0,0,0|1,0,0]=3 1822 B12R1.26 COC(=O)CSc1cn(cn1)C 62a_100000747449_100000040308 [0,2,0,0,0,0|1,0,0]=3 1823 B12R1.26 COC(=O)CSc1cn(nn1)C 62a_100000747449_100000760339 [0,2,0,0,0,0|2,0,0]=4 1824 B12R1.26 COC(=O)CSc1cn(nn1)C 62a_100000760339_100000747449 [0,2,0,0,0,0|2,0,0]=4 1825 B12R1.26 COC(=O)CSc1csc(n1)C 62a_100000747449_100011934587 [0,2,0,0,0,0|2,0,0]=4 1826 B12R1.26 COC(=O)CSc1csc(n1)C 62a_100011934587_100000747449 [0,2,0,0,0,0|2,0,0]=4 1827 B12R1.26 COC(=O)CSc1csc(n1)N 62a_100000747449_100011998049 [0,2,0,0,0,0|2,0,0]=4 1828 B12R1.26 COC(=O)CSc1csc(n1)N 62a_100011998049_100000747449 [0,2,0,0,0,0|2,0,0]=4 1829 B12R1.26 COC(=O)CSc1n[nH]c(n1)C 62a_100000732540_100000747449 [0,2,0,0,0,0|2,0,0]=4 1830 B12R1.26 COC(=O)CSc1n[nH]c(n1)C 62a_100000747449_100000732540 [0,2,0,0,0,0|2,0,0]=4 1831 B12R1.26 COC(=O)CSc1n[nH]c(n1)N 62a_100000747449_100015184587 [0,2,0,0,0,0|2,0,0]=4 1832 B12R1.26 COC(=O)CSc1n[nH]c(n1)N 62a_100015184587_100000747449 [0,2,0,0,0,0|2,0,0]=4 1833 B12R1.26 COC(=O)CSc1ncn(n1)C 62a_100000747449_100009819955 [0,2,0,0,0,0|2,0,0]=4 1834 B12R1.26 COC(=O)CSc1ncn(n1)C 62a_100009819955_100000747449 [0,2,0,0,0,0|2,0,0]=4 1835 B12R1.26 COC(=O)OCc1cn(nn1)C 274090a_200000210301_200010292053 [0,2,0,0,0,0|2,0,0]=4 1836 B12R1.26 COC(=O)OCc1cn(nn1)[13CH3] 274090a_200025704644_200010292053 [0,2,0,0,0,0|2,0,0]=4 1837 B12R1.26 Cc1ccn(n1)CCC(=O)CO 1458a_100000210174_200011934056 [0,2,0,0,0,0|2,0,0]=4 1838 B12R1.26 Cc1nc(cs1)CCC(=O)CO 1458a_100000210174_100000695623 [0,2,0,0,0,0|1,0,0]=3 1839 B12R1.26 Cc1nc(cs1)CNC(=O)CO 240690a_100000707933_100000210174 [0,2,0,0,0,0|2,0,0]=4 1840 B12R1.26 Cc1nc(cs1)CNC(=O)CO 527a_100000707933_100000210174 [0,2,0,0,0,0|2,0,0]=4 1841 B12R1.26 Cc1nc(n[nH]1)CCC(=O)CF 1458a_102515433058_100015361967 [0,2,0,0,0,0|2,0,0]=4 1842 B12R1.26 Cc1nc(n[nH]1)CNC(=O)CO 240690a_100000752542_100000210174 [0,2,0,0,0,0|2,0,0]=4 1843 B12R1.26 Cc1nc(n[nH]1)CNC(=O)CO 527a_100000752542_100000210174 [0,2,0,0,0,0|2,0,0]=4 1844 B12R1.26 Cn1cnc(c1)CNC(=O)CO 240690a_100011834058_100000210174 [0,2,0,0,0,0|1,0,0]=3 1845 B12R1.26 Cn1cnc(c1)CNC(=O)CO 527a_100011834058_100000210174 [0,2,0,0,0,0|1,0,0]=3 1846 B12R1.26 Cn1cnc(n1)CNC(=O)CO 240690a_100000695864_100000210174 [0,2,0,0,0,0|2,0,0]=4 1847 B12R1.26 Cn1cnc(n1)CNC(=O)CO 527a_100000695864_100000210174 [0,2,0,0,0,0|2,0,0]=4 1848 B12R1.26 O=C(CO)CCn1cc(cn1)Cl 1458a_100000210174_100011353933 [0,2,0,0,0,0|2,0,0]=4 1849 B12R1.51 C#CCC(=O)CCc1c[nH]cn1 1458a_100011220946_100020628418 [0,2,0,0,0,0|1,0,0]=3 1850 B12R1.51 C#CCC(=O)CCc1cc[nH]c1 1458a_200000093579_100000184674 [0,2,0,0,0,0|2,0,0]=4 1851 B12R1.51 C#CCC(=O)NCc1c[nH]cn1 527a_100000758547_100011220946 [0,2,0,0,0,0|2,0,0]=4 1852 B12R1.51 C=CCC(=O)CCc1c[nH]cn1 1458a_100000210193_100020628418 [0,2,0,0,0,0|1,0,0]=3 1853 B12R1.51 C=CCC(=O)CCc1cc[nH]c1 1458a_200000093579_100000210623 [0,2,0,0,0,0|2,0,0]=4 1854 B12R1.51 C=CCC(=O)NCc1c[nH]cn1 11a_100000758547_100000210193 [0,2,0,0,0,0|2,0,0]=4 1855 B12R1.51 C=CCC(=O)NCc1c[nH]cn1 240690a_100000758547_100000210193 [0,2,0,0,0,0|2,0,0]=4 1856 B12R1.51 C=CCC(=O)NCc1c[nH]cn1 527a_100000758547_100000210193 [0,2,0,0,0,0|2,0,0]=4 1857 B12R1.51 C=COC(=O)CSc1c[nH]cn1 62a_100000036128_100000756875 [0,2,0,0,0,0|1,0,0]=3 1858 B12R1.51 C=COC(=O)CSc1c[nH]cn1 62a_100000756875_100000036128 [0,2,0,0,0,0|1,0,0]=3 1859 B12R1.51 C=COC(=O)CSc1c[nH]nn1 62a_100000036128_100009819707 [0,2,0,0,0,0|2,0,0]=4 1860 B12R1.51 C=COC(=O)CSc1c[nH]nn1 62a_100009819707_100000036128 [0,2,0,0,0,0|2,0,0]=4 1861 B12R1.51 C=COC(=O)CSc1cscn1 62a_100000036128_100000751502 [0,2,0,0,0,0|2,0,0]=4 1862 B12R1.51 C=COC(=O)CSc1cscn1 62a_100000751502_100000036128 [0,2,0,0,0,0|2,0,0]=4 1863 B12R1.51 C=COC(=O)CSc1nc[nH]n1 62a_100000036128_100000761765 [0,2,0,0,0,0|2,0,0]=4 1864 B12R1.51 C=COC(=O)CSc1nc[nH]n1 62a_100000761765_100000036128 [0,2,0,0,0,0|2,0,0]=4 1865 B12R1.51 CC#CC(=O)CCc1c[nH]cn1 1458a_100000763181_100020628418 [0,2,0,0,0,0|1,0,0]=3 1866 B12R1.51 CC=CC(=O)CCc1c[nH]cn1 1458a_100000210699_100020628418 [0,2,0,0,0,0|1,0,0]=3 1867 B12R1.51 CC=CC(=O)NCc1c[nH]cn1 11a_100000758547_100000210699 [0,2,0,0,0,0|2,0,0]=4 1868 B12R1.51 CC=CC(=O)NCc1c[nH]cn1 240690a_100000758547_100000210699 [0,2,0,0,0,0|2,0,0]=4 1869 B12R1.51 CCCC(=O)CCc1c[nH]cn1 1458a_100000211992_100020628418 [0,2,0,0,0,0|1,0,0]=3 1870 B12R1.51 CCCC(=O)CCc1cc[nH]c1 1458a_200000093579_100000210303 [0,2,0,0,0,0|2,0,0]=4 1871 B12R1.51 CCCC(=O)CSc1c[nH]cn1 62a_100000747444_100000756875 [0,2,0,0,0,0|2,0,0]=4 1872 B12R1.51 CCCC(=O)CSc1c[nH]cn1 62a_100000756875_100000747444 [0,2,0,0,0,0|2,0,0]=4 1873 B12R1.51 CCCC(=O)NCc1c[nH]cn1 11a_100000758547_100000211992 [0,2,0,0,0,0|2,0,0]=4 1874 B12R1.51 CCCC(=O)NCc1c[nH]cn1 240690a_100000758547_100000211992 [0,2,0,0,0,0|2,0,0]=4 1875 B12R1.51 CCCC(=O)NCc1c[nH]cn1 527a_100000758547_100000211992 [0,2,0,0,0,0|2,0,0]=4 1876 B12R1.51 CCNC(=O)CCc1cc[nH]c1 11a_100015525214_200000093579 [0,2,0,0,0,0|2,0,0]=4 1877 B12R1.51 CCNC(=O)CCc1cc[nH]c1 240690a_100015525214_200000093579 [0,2,0,0,0,0|2,0,0]=4 1878 B12R1.51 CCNC(=O)CCc1cc[nH]c1 527a_100015525214_200000093579 [0,2,0,0,0,0|2,0,0]=4 1879 B12R1.51 CCNC(=O)CSc1c[nH]cn1 62a_100000183381_100000756875 [0,2,0,0,0,0|2,0,0]=4 1880 B12R1.51 CCNC(=O)CSc1c[nH]cn1 62a_100000756875_100000183381 [0,2,0,0,0,0|2,0,0]=4 1881 B12R1.51 CCNC(=O)NCc1c[nH]cn1 2708a_100000758547_100015525214 [0,2,0,0,0,0|2,0,0]=4 1882 B12R1.51 CCNC(=O)NCc1c[nH]cn1 2708a_100015525214_100000758547 [0,2,0,0,0,0|2,0,0]=4 1883 B12R1.51 CCNC(=O)NCc1c[nH]cn1 273464a_100000758547_100015525214 [0,2,0,0,0,0|2,0,0]=4 1884 B12R1.51 CCNC(=O)NCc1c[nH]cn1 273464a_100015525214_100000758547 [0,2,0,0,0,0|2,0,0]=4 1885 B12R1.51 CCNC(=O)NCc1c[nH]cn1 512a_100000758547_100015525214 [0,2,0,0,0,0|2,0,0]=4 1886 B12R1.51 CCNC(=O)NCc1c[nH]cn1 512a_100015525214_100000758547 [0,2,0,0,0,0|2,0,0]=4 1887 B12R1.51 CCOC(=O)C=Cc1c[nH]cn1 271570a_100010199719_100000756875 [0,2,0,0,0,0|0,0,2]=4 1888 B12R1.51 CCOC(=O)CSc1c[nH]cn1 62a_100000188475_100000756875 [0,2,0,0,0,0|1,0,0]=3 1889 B12R1.51 CCOC(=O)CSc1c[nH]cn1 62a_100000756875_100000188475 [0,2,0,0,0,0|1,0,0]=3 1890 B12R1.51 CCOC(=O)CSc1c[nH]nn1 62a_100000188475_100009819707 [0,2,0,0,0,0|2,0,0]=4 1891 B12R1.51 CCOC(=O)CSc1c[nH]nn1 62a_100009819707_100000188475 [0,2,0,0,0,0|2,0,0]=4 1892 B12R1.51 CCOC(=O)CSc1cscn1 62a_100000188475_100000751502 [0,2,0,0,0,0|2,0,0]=4 1893 B12R1.51 CCOC(=O)CSc1cscn1 62a_100000751502_100000188475 [0,2,0,0,0,0|2,0,0]=4 1894 B12R1.51 CCOC(=O)CSc1nc[nH]n1 62a_100000188475_100000761765 [0,2,0,0,0,0|2,0,0]=4 1895 B12R1.51 CCOC(=O)CSc1nc[nH]n1 62a_100000761765_100000188475 [0,2,0,0,0,0|2,0,0]=4 1896 B12R1.51 CN(CCO)CCc1c[nH]cn1 2230a_100000210263_100020628418 [0,2,0,0,0,0|2,0,0]=4 1897 B12R1.51 CN(CCO)CCc1c[nH]cn1 269982a_100000210263_100020628418 [0,2,0,0,0,0|2,0,0]=4 1898 B12R1.51 CNNC(=O)CCc1cc[nH]c1 22a_100016993582_200000093579 [0,2,0,0,0,0|2,0,0]=4 1899 B12R1.51 CNNC(=O)NCc1c[nH]cn1 273464a_100000758547_100016993582 [0,2,0,0,0,0|2,0,0]=4 1900 B12R1.51 CNNC(=O)NCc1c[nH]cn1 512a_100000758547_100016993582 [0,2,0,0,0,0|2,0,0]=4 1901 B12R1.51 CNNC(=O)NCc1c[nH]cn1 512a_100016993582_100000758547 [0,2,0,0,0,0|2,0,0]=4 1902 B12R1.51 COCC(=O)CCc1c[nH]cn1 1458a_100000210968_100020628418 [0,2,0,0,0,0|0,0,0]=2 1903 B12R1.51 COCC(=O)CCc1cccs1 1458a_100000210968_100000748579 [0,2,0,0,0,0|2,0,0]=4 1904 B12R1.51 COCC(=O)CCc1cn[nH]c1 1458a_100000210968_100000743252 [0,2,0,0,0,0|2,0,0]=4 1905 B12R1.51 COCC(=O)CCn1cccn1 1458a_100000210968_100000685285 [0,2,0,0,0,0|2,0,0]=4 1906 B12R1.51 COCC(=O)CCn1cncn1 1458a_100000210968_100000731791 [0,2,0,0,0,0|1,0,1]=4 1907 B12R1.51 COCC(=O)NCc1c[nH]cn1 11a_100000758547_100000210968 [0,2,0,0,0,0|1,0,0]=3 1908 B12R1.51 COCC(=O)NCc1c[nH]cn1 240690a_100000758547_100000210968 [0,2,0,0,0,0|1,0,0]=3 1909 B12R1.51 COCC(=O)NCc1c[nH]cn1 527a_100000758547_100000210968 [0,2,0,0,0,0|1,0,0]=3 1910 B12R1.51 COCC(=O)NCc1c[nH]nn1 11a_100020620823_100000210968 [0,2,0,0,0,0|2,0,0]=4 1911 B12R1.51 COCC(=O)NCc1c[nH]nn1 240690a_100020620823_100000210968 [0,2,0,0,0,0|2,0,0]=4 1912 B12R1.51 COCC(=O)NCc1c[nH]nn1 527a_100020620823_100000210968 [0,2,0,0,0,0|2,0,0]=4 1913 B12R1.51 COCC(=O)NCc1cocn1 11a_100015188801_100000210968 [0,2,0,0,0,0|2,0,0]=4 1914 B12R1.51 COCC(=O)NCc1cocn1 240690a_100015188801_100000210968 [0,2,0,0,0,0|2,0,0]=4 1915 B12R1.51 COCC(=O)NCc1cocn1 527a_100015188801_100000210968 [0,2,0,0,0,0|2,0,0]=4 1916 B12R1.51 COCC(=O)NCc1cscn1 11a_100015185402_100000210968 [0,2,0,0,0,0|2,0,0]=4 1917 B12R1.51 COCC(=O)NCc1cscn1 1626a_100015185402_100000210968 [0,2,0,0,0,0|2,0,0]=4 1918 B12R1.51 COCC(=O)NCc1cscn1 240690a_100015185402_100000210968 [0,2,0,0,0,0|2,0,0]=4 1919 B12R1.51 COCC(=O)NCc1cscn1 527a_100015185402_100000210968 [0,2,0,0,0,0|2,0,0]=4 1920 B12R1.51 CSCC(=O)CCc1c[nH]cn1 1458a_100000184570_100020628418 [0,2,0,0,0,0|0,1,0]=3 1921 B12R1.51 CSCC(=O)NCc1c[nH]cn1 11a_100000758547_100000184570 [0,2,0,0,0,0|1,1,0]=4 1922 B12R1.51 CSCC(=O)NCc1c[nH]cn1 240690a_100000758547_100000184570 [0,2,0,0,0,0|1,1,0]=4 1923 B12R1.51 CSCC(=O)NCc1c[nH]cn1 527a_100000758547_100000184570 [0,2,0,0,0,0|1,1,0]=4 1924 B12R1.51 N#CCC(=O)CCc1c[nH]cn1 1458a_100051588842_100020628418 [0,2,0,0,0,0|1,0,0]=3 1925 B12R1.51 N#CCC(=O)CCc1cc[nH]c1 1458a_200000093579_100011214920 [0,2,0,0,0,0|2,0,0]=4 1926 B12R1.51 N#CCC(=O)NCc1c[nH]cn1 240690a_100000758547_100051588842 [0,2,0,0,0,0|2,0,0]=4 1927 B12R1.51 O=C(C=CBr)CCc1c[nH]cn1 1458a_100016273825_100020628418 [0,2,0,0,0,0|1,0,0]=3 1928 B12R1.51 O=C(C=CBr)NCc1c[nH]cn1 240690a_100000758547_100016273825 [0,2,0,0,0,0|2,0,0]=4 1929 B12R1.51 O=C(C=CCl)CCc1c[nH]cn1 1458a_200016279998_100020628418 [0,2,0,0,0,0|1,0,0]=3 1930 B12R1.51 O=C(C=CCl)NCc1c[nH]cn1 11a_100000758547_200016279998 [0,2,0,0,0,0|2,0,0]=4 1931 B12R1.51 O=C(C=CCl)NCc1c[nH]cn1 240690a_100000758547_200016279998 [0,2,0,0,0,0|2,0,0]=4 1932 B12R1.51 O=C(C=CI)CCc1c[nH]cn1 1458a_100016256311_100020628418 [0,2,0,0,0,0|1,0,0]=3 1933 B12R1.51 O=C(C=Cc1c[nH]cn1)CCO 1458a_100102678534_100000211926 [0,2,0,0,0,0|0,0,2]=4 1934 B12R1.51 O=C(CCF)CCc1cc[nH]c1 1458a_200000093579_100011217306 [0,2,0,0,0,0|2,0,0]=4 1935 B12R1.51 O=C(CCO)CCc1c[nH]cn1 1458a_100011216618_100020628418 [0,2,0,0,0,0|0,0,0]=2 1936 B12R1.51 O=C(CCO)CCc1cc[nH]c1 1458a_200000093579_100000211926 [0,2,0,0,0,0|1,0,0]=3 1937 B12R1.51 O=C(CCO)CCc1ccc[nH]1 1458a_200011998680_100000211926 [0,2,0,0,0,0|1,0,1]=4 1938 B12R1.51 O=C(CCO)CCc1ccco1 1458a_100000185103_100000211926 [0,2,0,0,0,0|2,0,0]=4 1939 B12R1.51 O=C(CCO)CCc1cccs1 1458a_100000185280_100000211926 [0,2,0,0,0,0|2,0,0]=4 1940 B12R1.51 O=C(CCO)CCc1cccs1 1458a_100011216618_100000748579 [0,2,0,0,0,0|2,0,0]=4 1941 B12R1.51 O=C(CCO)CCc1ccsc1 1458a_100000195497_100000211926 [0,2,0,0,0,0|2,0,0]=4 1942 B12R1.51 O=C(CCO)CCc1cn[nH]c1 1458a_100011216618_100000743252 [0,2,0,0,0,0|2,0,0]=4 1943 B12R1.51 O=C(CCO)CCc1cnc[nH]1 1458a_100000044180_100000211926 [0,2,0,0,0,0|0,0,2]=4 1944 B12R1.51 O=C(CCO)CCc1cncs1 1458a_100012184922_100000211926 [0,2,0,0,0,0|1,0,1]=4 1945 B12R1.51 O=C(CCO)CCc1ncc[nH]1 1458a_100000722789_100000211926 [0,2,0,0,0,0|2,0,0]=4 1946 B12R1.51 O=C(CCO)CCc1nccs1 1458a_100000742873_100000211926 [0,2,0,0,0,0|2,0,0]=4 1947 B12R1.51 O=C(CCO)CCn1cccn1 1458a_100000242649_100000211926 [0,2,0,0,0,0|2,0,0]=4 1948 B12R1.51 O=C(CCO)CCn1cccn1 1458a_100011216618_100000685285 [0,2,0,0,0,0|2,0,0]=4 1949 B12R1.51 O=C(CCO)CCn1cncn1 1458a_100000242768_100000211926 [0,2,0,0,0,0|1,0,1]=4 1950 B12R1.51 O=C(CCO)CCn1cncn1 1458a_100011216618_100000731791 [0,2,0,0,0,0|1,0,1]=4 1951 B12R1.51 O=C(CCO)NCc1c[nH]cn1 240690a_100000758547_100011216618 [0,2,0,0,0,0|1,0,0]=3 1952 B12R1.51 O=C(CCO)NCc1c[nH]nn1 240690a_100020620823_100011216618 [0,2,0,0,0,0|2,0,0]=4 1953 B12R1.51 O=C(CCO)NCc1cocn1 240690a_100015188801_100011216618 [0,2,0,0,0,0|2,0,0]=4 1954 B12R1.51 O=C(CCO)NCc1cscn1 240690a_100015185402_100011216618 [0,2,0,0,0,0|2,0,0]=4 1955 B12R1.51 O=C(CSc1c[nH]cn1)NCO 62a_100000185155_100000756875 [0,2,0,0,0,0|1,0,0]=3 1956 B12R1.51 O=C(CSc1c[nH]cn1)NCO 62a_100000756875_100000185155 [0,2,0,0,0,0|1,0,0]=3 1957 B12R1.51 O=C(CSc1c[nH]nn1)NCO 62a_100000185155_100009819707 [0,2,0,0,0,0|2,0,0]=4 1958 B12R1.51 O=C(CSc1c[nH]nn1)NCO 62a_100009819707_100000185155 [0,2,0,0,0,0|2,0,0]=4 1959 B12R1.51 O=C(CSc1cscn1)NCO 62a_100000185155_100000751502 [0,2,0,0,0,0|2,0,0]=4 1960 B12R1.51 O=C(CSc1cscn1)NCO 62a_100000751502_100000185155 [0,2,0,0,0,0|2,0,0]=4 1961 B12R1.51 O=C(CSc1nc[nH]n1)NCO 62a_100000185155_100000761765 [0,2,0,0,0,0|2,0,0]=4 1962 B12R1.51 O=C(CSc1nc[nH]n1)NCO 62a_100000761765_100000185155 [0,2,0,0,0,0|2,0,0]=4 1963 B12R1.108 CCC(=O)C(C)Sc1c[nH]cn1 62a_100000742827_100000756875 [0,2,0,0,0,0|2,0,0]=4 1964 B12R1.108 CCC(=O)C(C)Sc1c[nH]cn1 62a_100000756875_100000742827 [0,2,0,0,0,0|2,0,0]=4 1965 B12R1.108 CN(Cc1cscn1)C(=O)CO 240690a_100000225794_100000210174 [0,2,0,0,0,0|2,0,0]=4 1966 B12R1.108 CN(Cc1cscn1)C(=O)CO 527a_100000225794_100000210174 [0,2,0,0,0,0|2,0,0]=4 1967 B12R1.108 CNC(=O)C(=O)Cc1c[nH]cn1 1458a_100011218921_100000707719 [0,2,0,0,0,0|1,0,1]=4 1968 B12R1.108 CNC(=O)C(C)Sc1c[nH]cn1 62a_100000209862_100000756875 [0,2,0,0,0,0|2,0,0]=4 1969 B12R1.108 CNC(=O)C(C)Sc1c[nH]cn1 62a_100000756875_100000731044 [0,2,0,0,0,0|2,0,0]=4 1970 B12R1.108 CNC(=O)C(F)Sc1c[nH]cn1 62a_100000756875_100009813575 [0,2,0,0,0,0|2,0,0]=4 1971 B12R1.108 CNC(=O)C(F)Sc1c[nH]cn1 62a_100009813575_100000756875 [0,2,0,0,0,0|2,0,0]=4 1972 B12R1.108 COC(=O)C(C)Sc1c[nH]cn1 62a_100000211248_100000756875 [0,2,0,0,0,0|1,0,0]=3 1973 B12R1.108 COC(=O)C(C)Sc1c[nH]cn1 62a_100000756875_100000211248 [0,2,0,0,0,0|1,0,0]=3 1974 B12R1.108 COC(=O)C(C)Sc1c[nH]nn1 62a_100000211248_100009819707 [0,2,0,0,0,0|2,0,0]=4 1975 B12R1.108 COC(=O)C(C)Sc1c[nH]nn1 62a_100009819707_100000211248 [0,2,0,0,0,0|2,0,0]=4 1976 B12R1.108 COC(=O)C(C)Sc1cscn1 62a_100000211248_100000751502 [0,2,0,0,0,0|2,0,0]=4 1977 B12R1.108 COC(=O)C(C)Sc1cscn1 62a_100000751502_100000211248 [0,2,0,0,0,0|2,0,0]=4 1978 B12R1.108 COC(=O)C(C)Sc1nc[nH]n1 62a_100000211248_100000761765 [0,2,0,0,0,0|2,0,0]=4 1979 B12R1.108 COC(=O)C(C)Sc1nc[nH]n1 62a_100000761765_100000211248 [0,2,0,0,0,0|2,0,0]=4 1980 B12R1.353 CCC(=O)CSc1nc[nH]c1C 62a_100000747405_100010186451 [0,2,0,0,0,0|2,0,0]=4 1981 B12R1.353 CCC(=O)CSc1nc[nH]c1C 62a_100010186451_100000747405 [0,2,0,0,0,0|2,0,0]=4 1982 B12R1.353 CNC(=O)CSc1nc[nH]c1C 62a_100000183359_100010186451 [0,2,0,0,0,0|2,0,0]=4 1983 B12R1.353 CNC(=O)CSc1nc[nH]c1C 62a_100010186451_100000183359 [0,2,0,0,0,0|2,0,0]=4 1984 B12R1.353 COC(=O)CSc1nc[nH]c1C 62a_100000747449_100010186451 [0,2,0,0,0,0|1,0,0]=3 1985 B12R1.353 COC(=O)CSc1nc[nH]c1C 62a_100010186451_100000747449 [0,2,0,0,0,0|1,0,0]=3 1986 B12R1.353 COC(=O)CSc1ncsc1C 62a_100000732656_100000747449 [0,2,0,0,0,0|2,0,0]=4 1987 B12R1.353 COC(=O)CSc1ncsc1C 62a_100000747449_100000732656 [0,2,0,0,0,0|2,0,0]=4 1988 B12R1.353 Cc1ccnn1CCC(=O)CO 1458a_100000210174_100011934269 [0,2,0,0,0,0|2,0,0]=4 1989 B12R1.353 Cc1ncsc1CCC(=O)CO 1458a_100000210174_100000057103 [0,2,0,0,0,0|1,0,1]=4 1990 B12R1.104 CC(=O)C(C)Sc1c[nH]c(n1)C 62a_100009814033_100009814057 [0,2,0,0,0,0|2,0,0]=4 1991 B12R1.104 CC(=O)C(C)Sc1c[nH]c(n1)C 62a_100009814057_100009814033 [0,2,0,0,0,0|2,0,0]=4 1992 B12R1.104 CC(=O)C(C)Sc1cn(cn1)C 62a_100000040308_100009814033 [0,2,0,0,0,0|2,0,0]=4 1993 B12R1.104 CC(=O)C(C)Sc1cn(cn1)C 62a_100009814033_100000040308 [0,2,0,0,0,0|2,0,0]=4 1994 B12R1.104 CC(Sc1cn(cn1)C)C(=O)N 62a_100000040308_100000702099 [0,2,0,0,0,0|2,0,0]=4 1995 B12R1.104 CC(Sc1cn(cn1)C)C(=O)N 62a_100000702099_100000040308 [0,2,0,0,0,0|2,0,0]=4 1996 B12R1.104 Cc1nc(c[nH]1)SC(C)C(=O)N 62a_100000702099_100009814057 [0,2,0,0,0,0|2,0,0]=4 1997 B12R1.104 Cc1nc(c[nH]1)SC(C)C(=O)N 62a_100009814057_100000702099 [0,2,0,0,0,0|2,0,0]=4 1998 B12R1.104 Cc1nc(c[nH]1)SC(F)C(=O)N 62a_100009813875_100009814057 [0,2,0,0,0,0|2,0,0]=4 1999 B12R1.104 Cc1nc(c[nH]1)SC(F)C(=O)N 62a_100009814057_100009813875 [0,2,0,0,0,0|2,0,0]=4 2000 B12R1.104 Cc1nc(c[nH]1)SC(F)C(=O)[O-] 62a_100009814057_100020610796 [0,2,0,0,0,0|1,0,1]=4 2001 B12R1.104 Cc1nc(c[nH]1)SC(F)C(=O)[O-] 62a_100020610796_100009814057 [0,2,0,0,0,0|1,0,1]=4 2002 B12R1.104 Cn1cnc(c1)SC(F)C(=O)N 62a_100000040308_100009813875 [0,2,0,0,0,0|2,0,0]=4 2003 B12R1.104 Cn1cnc(c1)SC(F)C(=O)N 62a_100009813875_100000040308 [0,2,0,0,0,0|2,0,0]=4 2004 B12R1.104 Cn1cnc(c1)SC(F)C(=O)[O-] 62a_100000040308_100020610796 [0,2,0,0,0,0|1,0,1]=4 2005 B12R1.104 Cn1cnc(c1)SC(F)C(=O)[O-] 62a_100020610796_100000040308 [0,2,0,0,0,0|1,0,1]=4 2006 B12R1.145 CC(=O)C(C)Sc1nc[nH]c1C 62a_100009814033_100010186451 [0,2,0,0,0,0|2,0,0]=4 2007 B12R1.145 CC(=O)C(C)Sc1nc[nH]c1C 62a_100010186451_100009814033 [0,2,0,0,0,0|2,0,0]=4 2008 B12R1.145 Cc1[nH]cnc1SC(C)C(=O)N 62a_100000702099_100010186451 [0,2,0,0,0,0|2,0,0]=4 2009 B12R1.145 Cc1[nH]cnc1SC(C)C(=O)N 62a_100010186451_100000702099 [0,2,0,0,0,0|2,0,0]=4 2010 B12R1.145 Cc1[nH]cnc1SC(F)C(=O)N 62a_100009813875_100010186451 [0,2,0,0,0,0|2,0,0]=4 2011 B12R1.145 Cc1[nH]cnc1SC(F)C(=O)N 62a_100010186451_100009813875 [0,2,0,0,0,0|2,0,0]=4 2012 B12R1.145 Cc1[nH]cnc1SC(F)C(=O)[O-] 62a_100010186451_100020610796 [0,2,0,0,0,0|1,0,1]=4 2013 B12R1.145 Cc1[nH]cnc1SC(F)C(=O)[O-] 62a_100020610796_100010186451 [0,2,0,0,0,0|1,0,1]=4 2014 B12R1.298 CCC(Sc1c[nH]cn1)C(=O)N 62a_100000750255_100000756875 [0,2,0,0,0,0|2,0,0]=4 2015 B12R1.298 CCC(Sc1c[nH]cn1)C(=O)N 62a_100000756875_100000750255 [0,2,0,0,0,0|2,0,0]=4 2016 B12R1.298 CN[C@@H](Cc1c[nH]cn1)C(=O)N 2230a_100020587041_200000210301 [0,2,0,0,0,0|1,0,0]=3 2017 B12R1.298 [13CH3]N[C@@H](Cc1c[nH]cn1)C(=O)N 2230a_100020587041_200025704644 [0,2,0,0,0,0|1,0,0]=3 2018 B12R1.1373 CC(=O)C(C)(C)Sc1c[nH]cn1 62a_100000075568_100000756875 [0,2,0,0,0,0|2,0,0]=4 2019 B12R1.1373 CC(=O)C(C)(C)Sc1c[nH]cn1 62a_100000756875_100000075568 [0,2,0,0,0,0|2,0,0]=4 2020 B12R1.1373 CC(C)(Sc1c[nH]cn1)C(=O)N 62a_100000702505_100000756875 [0,2,0,0,0,0|2,0,0]=4 2021 B12R1.1373 CC(C)(Sc1c[nH]cn1)C(=O)N 62a_100000756875_100000702505 [0,2,0,0,0,0|2,0,0]=4 2022 B12R1.1373 NC(=O)C(F)(F)Sc1c[nH]cn1 62a_100000756875_100009811971 [0,2,0,0,0,0|2,0,0]=4 2023 B12R1.1373 NC(=O)C(F)(F)Sc1c[nH]cn1 62a_100009811971_100000756875 [0,2,0,0,0,0|2,0,0]=4 2024 B12R1.1373 O=C([O-])C(F)(F)Sc1c[nH]cn1 62a_100000745680_100000756875 [0,2,0,0,0,0|1,0,1]=4 2025 B12R1.1373 O=C([O-])C(F)(F)Sc1c[nH]cn1 62a_100000756875_100000745680 [0,2,0,0,0,0|1,0,1]=4 2026 B12R1.59 CCn1cc(nn1)CCC(=O)O 274090a_100000204670_100000692101 [0,2,0,0,0,0|1,0,0]=3 2027 B12R1.59 CCn1cnc(c1)SCC(=O)N 62a_100000747473_100010368372 [0,2,0,0,0,0|2,0,0]=4 2028 B12R1.59 CCn1cnc(c1)SCC(=O)N 62a_100010368372_100000747473 [0,2,0,0,0,0|2,0,0]=4 2029 B12R1.59 CCn1cnc(c1)SCC(=O)[O-] 62a_100010368372_100020667443 [0,2,0,0,0,0|1,0,1]=4 2030 B12R1.59 CCn1cnc(c1)SCC(=O)[O-] 62a_100020667443_100010368372 [0,2,0,0,0,0|1,0,1]=4 2031 B12R1.59 O=C(O)CCc1cn(nn1)CF 274090a_100015361967_100000692101 [0,2,0,0,0,0|1,0,0]=3 2032 B12R1.110 Cc1nc(cn1C)SCC(=O)N 62a_100000684932_100000747473 [0,2,0,0,0,0|2,0,0]=4 2033 B12R1.110 Cc1nc(cn1C)SCC(=O)N 62a_100000747473_100000684932 [0,2,0,0,0,0|2,0,0]=4 2034 B12R1.110 Cc1nc(cn1C)SCC(=O)[O-] 62a_100000684932_100020667443 [0,2,0,0,0,0|1,0,1]=4 2035 B12R1.110 Cc1nc(cn1C)SCC(=O)[O-] 62a_100020667443_100000684932 [0,2,0,0,0,0|1,0,1]=4 2036 B12R1.110 Cn1cc(nc1N)SCC(=O)N 62a_100000747473_100025756272 [0,2,0,0,0,0|2,0,0]=4 2037 B12R1.110 Cn1cc(nc1N)SCC(=O)N 62a_100025756272_100000747473 [0,2,0,0,0,0|2,0,0]=4 2038 B12R1.110 Cn1cc(nc1N)SCC(=O)[O-] 62a_100020667443_100025756272 [0,2,0,0,0,0|1,0,1]=4 2039 B12R1.110 Cn1cc(nc1N)SCC(=O)[O-] 62a_100025756272_100020667443 [0,2,0,0,0,0|1,0,1]=4 2040 B12R1.861 Cc1nc(c([nH]1)C)SCC(=O)N 62a_100000747473_200009820778 [0,2,0,0,0,0|2,0,0]=4 2041 B12R1.861 Cc1nc(c([nH]1)C)SCC(=O)N 62a_200009820778_100000747473 [0,2,0,0,0,0|2,0,0]=4 2042 B12R1.861 Cc1nc(c([nH]1)C)SCC(=O)[O-] 62a_100020667443_200009820778 [0,2,0,0,0,0|1,0,1]=4 2043 B12R1.861 Cc1nc(c([nH]1)C)SCC(=O)[O-] 62a_200009820778_100020667443 [0,2,0,0,0,0|1,0,1]=4 2044 B12R1.476 CNC(CC(=O)O)c1cccs1 269956a_100000238659_200000210301 [0,2,0,0,0,0|2,0,0]=4 2045 B12R1.476 CNC(CC(=O)O)c1ccsc1 269956a_100000736382_200000210301 [0,2,0,0,0,0|2,0,0]=4 2046 B12R1.476 [13CH3]NC(CC(=O)O)c1cccs1 269956a_100000238659_200025704644 [0,2,0,0,0,0|2,0,0]=4 2047 B12R1.476 [13CH3]NC(CC(=O)O)c1ccsc1 269956a_100000736382_200025704644 [0,2,0,0,0,0|2,0,0]=4 2048 B12R1.895 CC(=O)CCc1c(c[nH]c1C)C 1458a_100102525370_200000210301 [0,2,0,0,0,0|2,0,0]=4 2049 B12R1.895 Cc1c[nH]c(c1CCC(=O)[13CH3])C 1458a_100102525370_200025704644 [0,2,0,0,0,0|2,0,0]=4 2050 B12R2.6 O=C1C=C(CC1)c2c[nH]cn2 271570a_100010737933_100000756875 [0,0,0,1,0,1|1,0,0]=3 2051 B12R2.6 O=C1C=C(CC1)c2cscn2 271570a_100010737933_100000751502 [0,0,0,1,0,1|2,0,0]=4 2052 B12R2.6 O=C1C=C(CC1)c2nc[nH]n2 271570a_100010737933_100000761765 [0,0,0,1,0,1|2,0,0]=4 2053 B12R2.136 O=C1CC(C1)Sc2c[nH]cn2 62a_100009894365_100000756875 [0,0,0,1,0,1|1,0,0]=3 2054 B12R2.136 O=C1CC(C1)Sc2c[nH]nn2 62a_100009894365_100009819707 [0,0,0,1,0,1|2,0,0]=4 2055 B12R2.136 O=C1CC(C1)Sc2cscn2 62a_100009894365_100000751502 [0,0,0,1,0,1|2,0,0]=4 2056 B12R2.136 O=C1CC(C1)Sc2nc[nH]n2 62a_100009894365_100000761765 [0,0,0,1,0,1|2,0,0]=4 2057 B12R2.136 OC1CN(C1)Cc2c[nH]cn2 269982a_100000749847_100000707719 [0,0,0,1,0,1|1,0,1]=4 2058 B12R2.2383 c1nc(c[nH]1)COC[C@@H]2CO2 34a_100000757423_100000707719 [0,0,0,1,0,1|1,0,1]=4 2059 B12R2.2383 c1nc(c[nH]1)CSCC2CO2 62a_100000707719_102125554688 [0,0,0,1,0,1|1,0,1]=4 2060 B12R2.2383 c1nc(c[nH]1)CSCC2CO2 62a_102125554688_100000707719 [0,0,0,1,0,1|1,0,1]=4 2061 B12R2.2383 c1nc(c[nH]1)CSC[C@@H]2CO2 62a_100000707719_100000745022 [0,0,0,1,0,1|1,0,1]=4 2062 B12R2.2383 c1nc(c[nH]1)CSC[C@@H]2CO2 62a_100000745022_100000707719 [0,0,0,1,0,1|1,0,1]=4 2063 B12R2.2383 c1nc(c[nH]1)SCCC2CO2 62a_100000732470_100000756875 [0,0,0,1,0,1|1,0,1]=4 2064 B12R2.2383 c1nc(c[nH]1)SCCC2CO2 62a_100000756875_100000732470 [0,0,0,1,0,1|1,0,1]=4 2065 B12R2.12 O=C1CCC1Sc2c[nH]cn2 62a_100000756875_100009892977 [0,1,0,1,0,0|2,0,0]=4 2066 B12R2.12 O=C1CCC1Sc2c[nH]cn2 62a_100009892977_100000756875 [0,1,0,1,0,0|2,0,0]=4 2067 B8R1.7 C=C(C)c1c[nH]cn1 271570a_100000694244_100000756875 [0,0,0,0,2,0|2,0,0]=4 2068 B10R1.17 O=CCOc1cccnc1 34a_100000210849_200009817547 [1,0,0,0,0,1|2,0,0]=4 2069 B10R1.17 O=CCOc1cccnc1 7a_100000210849_200015260668 [1,0,0,0,0,1|2,0,0]=4 2070 B10R1.17 O=CCOc1cncnc1 7a_100000754086_200015260668 [1,0,0,0,0,1|1,0,1]=4 2071 B10R1.17 O=CCSc1ccccn1 62a_100011216584_200015260668 [1,0,0,0,0,1|2,0,0]=4 2072 B10R1.17 O=CCSc1ccccn1 62a_200015260668_100011216584 [1,0,0,0,0,1|2,0,0]=4 2073 B10R1.17 O=CCSc1cccnc1 62a_100000210063_200015260668 [1,0,0,0,0,1|2,0,0]=4 2074 B10R1.17 O=CCSc1cccnc1 62a_200015260668_100000210063 [1,0,0,0,0,1|2,0,0]=4 2075 B10R1.17 O=CCSc1cccnn1 62a_100016991348_200015260668 [1,0,0,0,0,1|2,0,0]=4 2076 B10R1.17 O=CCSc1cccnn1 62a_200015260668_100016991348 [1,0,0,0,0,1|2,0,0]=4 2077 B10R1.17 O=CCSc1ccncn1 62a_100000703185_200015260668 [1,0,0,0,0,1|1,0,1]=4 2078 B10R1.17 O=CCSc1ccncn1 62a_200015260668_100000703185 [1,0,0,0,0,1|1,0,1]=4 2079 B10R1.17 O=CCSc1cnccn1 62a_100000211759_200015260668 [1,0,0,0,0,1|1,0,1]=4 2080 B10R1.17 O=CCSc1cnccn1 62a_200015260668_100000211759 [1,0,0,0,0,1|1,0,1]=4 2081 B10R1.17 O=CCSc1cncnc1 62a_100011206942_200015260668 [1,0,0,0,0,1|1,0,1]=4 2082 B10R1.17 O=CCSc1cncnc1 62a_200015260668_100011206942 [1,0,0,0,0,1|1,0,1]=4 2083 B10R1.17 O=CCSc1ncccn1 62a_100000211032_200015260668 [1,0,0,0,0,1|2,0,0]=4 2084 B10R1.17 O=CCSc1ncccn1 62a_200015260668_100000211032 [1,0,0,0,0,1|2,0,0]=4 2085 B12R1.252 CC(=O)CCCc1ccccn1 1458a_100000752327_200000210301 [0,0,0,0,0,2|2,0,0]=4 2086 B12R1.252 CC(=O)CCOc1cccnc1 7a_100000210849_100000053229 [0,0,0,0,0,2|2,0,0]=4 2087 B12R1.252 CC(=O)CCOc1cncnc1 7a_100000754086_100000053229 [0,0,0,0,0,2|1,0,1]=4 2088 B12R1.252 CC(=O)CCSc1ccccn1 62a_100000053229_100011216584 [0,0,0,0,0,2|2,0,0]=4 2089 B12R1.252 CC(=O)CCSc1ccccn1 62a_100011216584_100000053229 [0,0,0,0,0,2|2,0,0]=4 2090 B12R1.252 CC(=O)CCSc1cccnc1 62a_100000053229_100000210063 [0,0,0,0,0,2|2,0,0]=4 2091 B12R1.252 CC(=O)CCSc1cccnc1 62a_100000210063_100000053229 [0,0,0,0,0,2|2,0,0]=4 2092 B12R1.252 CC(=O)CCSc1cccnn1 62a_100000053229_100016991348 [0,0,0,0,0,2|2,0,0]=4 2093 B12R1.252 CC(=O)CCSc1cccnn1 62a_100016991348_100000053229 [0,0,0,0,0,2|2,0,0]=4 2094 B12R1.252 CC(=O)CCSc1ccncn1 62a_100000053229_100000703185 [0,0,0,0,0,2|1,0,1]=4 2095 B12R1.252 CC(=O)CCSc1ccncn1 62a_100000703185_100000053229 [0,0,0,0,0,2|1,0,1]=4 2096 B12R1.252 CC(=O)CCSc1cnccn1 62a_100000053229_100000211759 [0,0,0,0,0,2|1,0,1]=4 2097 B12R1.252 CC(=O)CCSc1cnccn1 62a_100000211759_100000053229 [0,0,0,0,0,2|1,0,1]=4 2098 B12R1.252 CC(=O)CCSc1cncnc1 62a_100000053229_100011206942 [0,0,0,0,0,2|1,0,1]=4 2099 B12R1.252 CC(=O)CCSc1cncnc1 62a_100011206942_100000053229 [0,0,0,0,0,2|1,0,1]=4 2100 B12R1.252 CC(=O)CCSc1ncccn1 62a_100000053229_100000211032 [0,0,0,0,0,2|2,0,0]=4 2101 B12R1.252 CC(=O)CCSc1ncccn1 62a_100000211032_100000053229 [0,0,0,0,0,2|2,0,0]=4 2102 B12R1.252 CC(=O)COCc1ccccn1 34a_100000211253_100000721315 [0,0,0,0,0,2|2,0,0]=4 2103 B12R1.252 CC(=O)COCc1cccnc1 34a_100000211253_100000733263 [0,0,0,0,0,2|2,0,0]=4 2104 B12R1.252 CC(=O)COCc1cccnn1 34a_100000211253_100016990269 [0,0,0,0,0,2|2,0,0]=4 2105 B12R1.252 CC(=O)COCc1cnccn1 34a_100000211253_100016995436 [0,0,0,0,0,2|1,0,1]=4 2106 B12R1.252 CC(=O)COCc1cncnc1 34a_100000211253_100015196519 [0,0,0,0,0,2|1,0,1]=4 2107 B12R1.252 CC(=O)COCc1ncccn1 34a_100000211253_100000703007 [0,0,0,0,0,2|2,0,0]=4 2108 B12R1.252 CC(=O)CSCc1ccccn1 1458a_100000742634_200000210301 [0,0,0,0,0,2|2,0,0]=4 2109 B12R1.252 CC(=O)NCCc1ccccn1 11a_100000211156_100015343762 [0,0,0,0,0,2|2,0,0]=4 2110 B12R1.252 CC(=O)NCCc1ccccn1 1626a_100000211156_100015343762 [0,0,0,0,0,2|2,0,0]=4 2111 B12R1.252 CC(=O)NCCc1ccccn1 240690a_100000211156_100015343762 [0,0,0,0,0,2|2,0,0]=4 2112 B12R1.252 CC(=O)NCCc1ccccn1 527a_100000211156_100103153847 [0,0,0,0,0,2|2,0,0]=4 2113 B12R1.252 CC(=O)NCCc1cccnc1 11a_100000736294_100015343762 [0,0,0,0,0,2|2,0,0]=4 2114 B12R1.252 CC(=O)NCCc1cccnc1 1626a_100000736294_100015343762 [0,0,0,0,0,2|2,0,0]=4 2115 B12R1.252 CC(=O)NCCc1cccnc1 240690a_100000736294_100015343762 [0,0,0,0,0,2|2,0,0]=4 2116 B12R1.252 CC(=O)NCCc1cccnc1 527a_100000736294_100103153847 [0,0,0,0,0,2|2,0,0]=4 2117 B12R1.252 CC(=O)NCCc1cnccn1 11a_100000723456_100015343762 [0,0,0,0,0,2|1,0,1]=4 2118 B12R1.252 CC(=O)NCCc1cnccn1 1626a_100000723456_100015343762 [0,0,0,0,0,2|1,0,1]=4 2119 B12R1.252 CC(=O)NCCc1cnccn1 240690a_100000723456_100015343762 [0,0,0,0,0,2|1,0,1]=4 2120 B12R1.252 CC(=O)NCCc1cnccn1 527a_100000723456_100103153847 [0,0,0,0,0,2|1,0,1]=4 2121 B12R1.252 NC(=O)CCNc1cccnn1 27a_100000740010_100016991348 [0,0,0,0,0,2|2,0,0]=4 2122 B12R1.252 NC(=O)CCNc1ccncn1 27a_100000740010_100000703185 [0,0,0,0,0,2|1,0,1]=4 2123 B12R1.252 NC(=O)CCNc1cnccn1 27a_100000740010_100000211759 [0,0,0,0,0,2|1,0,1]=4 2124 B12R1.252 NC(=O)CCNc1ncccn1 27a_100000740010_100000211032 [0,0,0,0,0,2|2,0,0]=4 2125 B12R1.252 NC(=O)CCOc1cccnc1 34a_100000210849_100000731001 [0,0,0,0,0,2|2,0,0]=4 2126 B12R1.252 NC(=O)CCOc1cccnc1 7a_100000210849_100000744528 [0,0,0,0,0,2|2,0,0]=4 2127 B12R1.252 NC(=O)CCOc1cncnc1 7a_100000754086_100000744528 [0,0,0,0,0,2|1,0,1]=4 2128 B12R1.252 NC(=O)CCSc1ccccn1 62a_100000744528_100011216584 [0,0,0,0,0,2|2,0,0]=4 2129 B12R1.252 NC(=O)CCSc1ccccn1 62a_100011216584_100000744528 [0,0,0,0,0,2|2,0,0]=4 2130 B12R1.252 NC(=O)CCSc1cccnc1 62a_100000210063_100000744528 [0,0,0,0,0,2|2,0,0]=4 2131 B12R1.252 NC(=O)CCSc1cccnc1 62a_100000744528_100000210063 [0,0,0,0,0,2|2,0,0]=4 2132 B12R1.252 NC(=O)CCSc1cccnn1 62a_100000744528_100016991348 [0,0,0,0,0,2|2,0,0]=4 2133 B12R1.252 NC(=O)CCSc1cccnn1 62a_100016991348_100000744528 [0,0,0,0,0,2|2,0,0]=4 2134 B12R1.252 NC(=O)CCSc1ccncn1 62a_100000703185_100000744528 [0,0,0,0,0,2|1,0,1]=4 2135 B12R1.252 NC(=O)CCSc1ccncn1 62a_100000744528_100000703185 [0,0,0,0,0,2|1,0,1]=4 2136 B12R1.252 NC(=O)CCSc1cnccn1 62a_100000211759_100000744528 [0,0,0,0,0,2|1,0,1]=4 2137 B12R1.252 NC(=O)CCSc1cnccn1 62a_100000744528_100000211759 [0,0,0,0,0,2|1,0,1]=4 2138 B12R1.252 NC(=O)CCSc1cncnc1 62a_100000744528_100011206942 [0,0,0,0,0,2|1,0,1]=4 2139 B12R1.252 NC(=O)CCSc1cncnc1 62a_100011206942_100000744528 [0,0,0,0,0,2|1,0,1]=4 2140 B12R1.252 NC(=O)CCSc1ncccn1 62a_100000211032_100000744528 [0,0,0,0,0,2|2,0,0]=4 2141 B12R1.252 NC(=O)CCSc1ncccn1 62a_100000744528_100000211032 [0,0,0,0,0,2|2,0,0]=4 2142 B12R1.252 NC(=O)CNCc1ccccn1 2230a_100000711301_100000721315 [0,0,0,0,0,2|2,0,0]=4 2143 B12R1.252 NC(=O)CNCc1cccnc1 2230a_100000711301_100000741622 [0,0,0,0,0,2|2,0,0]=4 2144 B12R1.252 NC(=O)CNCc1cccnn1 2230a_100000711301_100016990269 [0,0,0,0,0,2|2,0,0]=4 2145 B12R1.252 NC(=O)CNCc1cccnn1 2230a_100159270163_100000747473 [0,0,0,0,0,2|2,0,0]=4 2146 B12R1.252 NC(=O)CNCc1cnccn1 2230a_100000711301_100016995436 [0,0,0,0,0,2|1,0,1]=4 2147 B12R1.252 NC(=O)CNCc1cncnc1 2230a_100000711301_100015196519 [0,0,0,0,0,2|1,0,1]=4 2148 B12R1.252 NC(=O)CNCc1cncnc1 2230a_100011243677_100000747473 [0,0,0,0,0,2|1,0,1]=4 2149 B12R1.252 NC(=O)CNCc1ncccn1 2230a_100000711301_100000703007 [0,0,0,0,0,2|2,0,0]=4 2150 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000721315_100000747473 [0,0,0,0,0,2|2,0,0]=4 2151 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000747473_100000721315 [0,0,0,0,0,2|2,0,0]=4 2152 B12R1.252 NC(=O)CSCc1cccnc1 62a_100000741622_100000747473 [0,0,0,0,0,2|2,0,0]=4 2153 B12R1.252 NC(=O)CSCc1cccnc1 62a_100000747473_100000741622 [0,0,0,0,0,2|2,0,0]=4 2154 B12R1.252 NC(=O)CSCc1cccnn1 62a_100000747473_100016990269 [0,0,0,0,0,2|2,0,0]=4 2155 B12R1.252 NC(=O)CSCc1cccnn1 62a_100016990269_100000747473 [0,0,0,0,0,2|2,0,0]=4 2156 B12R1.252 NC(=O)CSCc1cnccn1 62a_100000747473_100016995436 [0,0,0,0,0,2|1,0,1]=4 2157 B12R1.252 NC(=O)CSCc1cnccn1 62a_100016995436_100000747473 [0,0,0,0,0,2|1,0,1]=4 2158 B12R1.252 NC(=O)CSCc1cncnc1 62a_100000747473_100015196519 [0,0,0,0,0,2|1,0,1]=4 2159 B12R1.252 NC(=O)CSCc1cncnc1 62a_100015196519_100000747473 [0,0,0,0,0,2|1,0,1]=4 2160 B12R1.252 NC(=O)CSCc1ncccn1 62a_100000703007_100000747473 [0,0,0,0,0,2|2,0,0]=4 2161 B12R1.252 NC(=O)CSCc1ncccn1 62a_100000747473_100000703007 [0,0,0,0,0,2|2,0,0]=4 2162 B12R1.252 O=C(O)CNCc1ccccc1 269956a_100016091260_100015291786 [0,0,0,0,0,2|2,0,0]=4 2163 B12R1.252 O=C(O)CNCc1ccccn1 269956a_100016091260_100000721315 [0,0,0,0,0,2|1,0,0]=3 2164 B12R1.252 O=C(O)CNCc1cccnc1 269956a_100016091260_100000733263 [0,0,0,0,0,2|1,0,0]=3 2165 B12R1.252 O=C(O)CNCc1cccnn1 269956a_100016091260_100016990269 [0,0,0,0,0,2|1,0,0]=3 2166 B12R1.252 O=C(O)CNCc1ccncc1 269956a_100016091260_100015193705 [0,0,0,0,0,2|1,0,1]=4 2167 B12R1.252 O=C(O)CNCc1cnccn1 269956a_100016091260_100016995436 [0,0,0,0,0,2|0,0,1]=3 2168 B12R1.252 O=C(O)CNCc1cncnc1 269956a_100016091260_100016991940 [0,0,0,0,0,2|0,0,1]=3 2169 B12R1.252 O=C(O)CNCc1ncccn1 269956a_100016091260_100000703007 [0,0,0,0,0,2|1,0,0]=3 2170 B12R1.252 O=C([O-])CSCc1ccccn1 62a_100000721315_100020667443 [0,0,0,0,0,2|1,0,1]=4 2171 B12R1.252 O=C([O-])CSCc1ccccn1 62a_100020667443_100000721315 [0,0,0,0,0,2|1,0,1]=4 2172 B12R1.252 O=C([O-])CSCc1cccnc1 62a_100000741622_100020667443 [0,0,0,0,0,2|1,0,1]=4 2173 B12R1.252 O=C([O-])CSCc1cccnc1 62a_100020667443_100000741622 [0,0,0,0,0,2|1,0,1]=4 2174 B12R1.252 O=C([O-])CSCc1cccnn1 62a_100016990269_100020667443 [0,0,0,0,0,2|1,0,1]=4 2175 B12R1.252 O=C([O-])CSCc1cccnn1 62a_100020667443_100016990269 [0,0,0,0,0,2|1,0,1]=4 2176 B12R1.252 O=C([O-])CSCc1cnccn1 62a_100016995436_100020667443 [0,0,0,0,0,2|0,0,2]=4 2177 B12R1.252 O=C([O-])CSCc1cnccn1 62a_100020667443_100016995436 [0,0,0,0,0,2|0,0,2]=4 2178 B12R1.252 O=C([O-])CSCc1cncnc1 62a_100015196519_100020667443 [0,0,0,0,0,2|0,0,2]=4 2179 B12R1.252 O=C([O-])CSCc1cncnc1 62a_100020667443_100015196519 [0,0,0,0,0,2|0,0,2]=4 2180 B12R1.252 O=C([O-])CSCc1ncccn1 62a_100000703007_100020667443 [0,0,0,0,0,2|1,0,1]=4 2181 B12R1.252 O=C([O-])CSCc1ncccn1 62a_100020667443_100000703007 [0,0,0,0,0,2|1,0,1]=4 2182 B12R1.252 [13CH3]C(=O)CCCc1ccccn1 1458a_100000752327_200025704644 [0,0,0,0,0,2|2,0,0]=4 2183 B12R1.252 [13CH3]C(=O)CSCc1ccccn1 1458a_100000742634_200025704644 [0,0,0,0,0,2|2,0,0]=4 2184 B12R1.255 C=C(Br)CCOCc1c[nH]cn1 34a_100009813270_100000707719 [0,0,0,0,0,2|2,0,0]=4 2185 B12R1.255 C=C(C)CCOCc1c[nH]cn1 34a_100000764851_100000707719 [0,0,0,0,0,2|2,0,0]=4 2186 B12R1.255 C=C(C)CCSCc1c[nH]cn1 62a_100000707719_100000730704 [0,0,0,0,0,2|2,0,0]=4 2187 B12R1.255 C=C(C)CCSCc1c[nH]cn1 62a_100000730704_100000707719 [0,0,0,0,0,2|2,0,0]=4 2188 B12R1.255 C=C(C)CSCCc1c[nH]cn1 62a_100000748629_100020628418 [0,0,0,0,0,2|2,0,0]=4 2189 B12R1.255 C=C(C)CSCCc1c[nH]cn1 62a_100020628418_100000211660 [0,0,0,0,0,2|2,0,0]=4 2190 B12R1.255 C=C(F)CSCCc1c[nH]cn1 62a_100000042424_100020628418 [0,0,0,0,0,2|2,0,0]=4 2191 B12R1.255 C=C(F)CSCCc1c[nH]cn1 62a_100020628418_100000042424 [0,0,0,0,0,2|2,0,0]=4 2192 B12R1.255 CC(=CCCSc1c[nH]cn1)C 62a_100000756875_100011217483 [0,0,0,0,0,2|2,0,0]=4 2193 B12R1.255 CC(=CCCSc1c[nH]cn1)C 62a_100011217483_100000756875 [0,0,0,0,0,2|2,0,0]=4 2194 B12R1.255 CC(=CCNCc1c[nH]cn1)C 34a_100000718196_100000707719 [0,0,0,0,0,2|2,0,0]=4 2195 B12R1.255 CC(=CCOCc1c[nH]cn1)C 34a_100000753907_100000707719 [0,0,0,0,0,2|2,0,0]=4 2196 B12R1.255 CC(=CCSCc1c[nH]cn1)C 62a_100000707719_100000761012 [0,0,0,0,0,2|2,0,0]=4 2197 B12R1.255 CC(=CCSCc1c[nH]cn1)C 62a_100000761012_100000707719 [0,0,0,0,0,2|2,0,0]=4 2198 B12R1.255 CC(=O)CCCSc1c[nH]cn1 62a_100000756875_100011215641 [0,0,0,0,0,2|1,0,0]=3 2199 B12R1.255 CC(=O)CCCSc1c[nH]cn1 62a_100011215641_100000756875 [0,0,0,0,0,2|1,0,0]=3 2200 B12R1.255 CC(=O)CCCSc1c[nH]nn1 62a_100009819707_100011215641 [0,0,0,0,0,2|2,0,0]=4 2201 B12R1.255 CC(=O)CCCSc1c[nH]nn1 62a_100011215641_100009819707 [0,0,0,0,0,2|2,0,0]=4 2202 B12R1.255 CC(=O)CCCSc1cscn1 62a_100000751502_100011215641 [0,0,0,0,0,2|2,0,0]=4 2203 B12R1.255 CC(=O)CCCSc1cscn1 62a_100011215641_100000751502 [0,0,0,0,0,2|2,0,0]=4 2204 B12R1.255 CC(=O)CCCSc1nc[nH]n1 62a_100000761765_100011215641 [0,0,0,0,0,2|2,0,0]=4 2205 B12R1.255 CC(=O)CCCSc1nc[nH]n1 62a_100011215641_100000761765 [0,0,0,0,0,2|2,0,0]=4 2206 B12R1.255 CC(=O)CCOCc1c[nH]cn1 34a_100000759926_100000707719 [0,0,0,0,0,2|1,0,0]=3 2207 B12R1.255 CC(=O)CCOCc1cscn1 34a_100000759926_100000205941 [0,0,0,0,0,2|2,0,0]=4 2208 B12R1.255 CC(=O)CCOCc1cscn1 7a_100000759926_100000205941 [0,0,0,0,0,2|2,0,0]=4 2209 B12R1.255 CC(=O)CCSCc1c[nH]cn1 62a_100000053229_100000707719 [0,0,0,0,0,2|1,0,0]=3 2210 B12R1.255 CC(=O)CCSCc1c[nH]cn1 62a_100000707719_100000053229 [0,0,0,0,0,2|1,0,0]=3 2211 B12R1.255 CC(=O)CCSCc1cscn1 62a_100000053229_100000205941 [0,0,0,0,0,2|2,0,0]=4 2212 B12R1.255 CC(=O)CCSCc1cscn1 62a_100000205941_100000053229 [0,0,0,0,0,2|2,0,0]=4 2213 B12R1.255 CC(=O)NCCSc1c[nH]cn1 62a_100000189650_100000756875 [0,0,0,0,0,2|1,0,0]=3 2214 B12R1.255 CC(=O)NCCSc1c[nH]cn1 62a_100000756875_100000189650 [0,0,0,0,0,2|1,0,0]=3 2215 B12R1.255 CC(=O)NCCSc1c[nH]nn1 62a_100000189650_100009819707 [0,0,0,0,0,2|2,0,0]=4 2216 B12R1.255 CC(=O)NCCSc1c[nH]nn1 62a_100009819707_100000189650 [0,0,0,0,0,2|2,0,0]=4 2217 B12R1.255 CC(=O)NCCSc1cscn1 62a_100000189650_100000751502 [0,0,0,0,0,2|2,0,0]=4 2218 B12R1.255 CC(=O)NCCSc1cscn1 62a_100000751502_100000189650 [0,0,0,0,0,2|2,0,0]=4 2219 B12R1.255 CC(=O)NCCSc1nc[nH]n1 62a_100000189650_100000761765 [0,0,0,0,0,2|2,0,0]=4 2220 B12R1.255 CC(=O)NCCSc1nc[nH]n1 62a_100000761765_100000189650 [0,0,0,0,0,2|2,0,0]=4 2221 B12R1.255 CC(=O)OCC=Cc1c[nH]cn1 271570a_200000047263_100000756875 [0,0,0,0,0,2|1,0,1]=4 2222 B12R1.255 CC(=O)OCCSc1c[nH]cn1 62a_100000756875_100009814007 [0,0,0,0,0,2|1,0,0]=3 2223 B12R1.255 CC(=O)OCCSc1c[nH]cn1 62a_100009814007_100000756875 [0,0,0,0,0,2|1,0,0]=3 2224 B12R1.255 CC(=O)OCCSc1c[nH]nn1 62a_100009814007_100009819707 [0,0,0,0,0,2|2,0,0]=4 2225 B12R1.255 CC(=O)OCCSc1c[nH]nn1 62a_100009819707_100009814007 [0,0,0,0,0,2|2,0,0]=4 2226 B12R1.255 CC(=O)OCCSc1cscn1 62a_100000751502_100009814007 [0,0,0,0,0,2|2,0,0]=4 2227 B12R1.255 CC(=O)OCCSc1cscn1 62a_100009814007_100000751502 [0,0,0,0,0,2|2,0,0]=4 2228 B12R1.255 CC(=O)OCCSc1nc[nH]n1 62a_100000761765_100009814007 [0,0,0,0,0,2|2,0,0]=4 2229 B12R1.255 CC(=O)OCCSc1nc[nH]n1 62a_100009814007_100000761765 [0,0,0,0,0,2|2,0,0]=4 2230 B12R1.255 CC(=O)OCSCc1c[nH]cn1 62a_100000076356_100000707719 [0,0,0,0,0,2|1,0,0]=3 2231 B12R1.255 CC(=O)OCSCc1c[nH]cn1 62a_100000707719_100000076356 [0,0,0,0,0,2|1,0,0]=3 2232 B12R1.255 CC(=O)OCSCc1cscn1 62a_100000076356_100000205941 [0,0,0,0,0,2|2,0,0]=4 2233 B12R1.255 CC(=O)OCSCc1cscn1 62a_100000205941_100000076356 [0,0,0,0,0,2|2,0,0]=4 2234 B12R1.255 CC(O)CCCSc1c[nH]cn1 62a_100000756875_200000718107 [0,0,0,0,0,2|1,0,1]=4 2235 B12R1.255 CC(O)CCCSc1c[nH]cn1 62a_200000718107_100000756875 [0,0,0,0,0,2|1,0,1]=4 2236 B12R1.255 CC(O)CCNCc1c[nH]cn1 2230a_200000755665_100000707719 [0,0,0,0,0,2|1,0,1]=4 2237 B12R1.255 CC(O)CCSCc1c[nH]cn1 62a_100000707719_100012276601 [0,0,0,0,0,2|1,0,1]=4 2238 B12R1.255 CC(O)CCSCc1c[nH]cn1 62a_100012276601_100000707719 [0,0,0,0,0,2|1,0,1]=4 2239 B12R1.255 CC(O)CNCCc1c[nH]cn1 2230a_100000210904_100020628418 [0,0,0,0,0,2|1,0,1]=4 2240 B12R1.255 CC(O)CSCCc1c[nH]cn1 62a_100011218427_100020628418 [0,0,0,0,0,2|1,0,1]=4 2241 B12R1.255 CC(O)CSCCc1c[nH]cn1 62a_100020628418_100011218427 [0,0,0,0,0,2|1,0,1]=4 2242 B12R1.255 C[C@@H](O)CSCCc1c[nH]cn1 62a_100009817552_100020628418 [0,0,0,0,0,2|1,0,1]=4 2243 B12R1.255 C[C@@H](O)CSCCc1c[nH]cn1 62a_100020628418_100009817552 [0,0,0,0,0,2|1,0,1]=4 2244 B12R1.255 FC(=CCCSc1c[nH]cn1)F 62a_100000756875_200009816681 [0,0,0,0,0,2|2,0,0]=4 2245 B12R1.255 FC(=CCCSc1c[nH]cn1)F 62a_200009816681_100000756875 [0,0,0,0,0,2|2,0,0]=4 2246 B12R1.255 NC(=O)CCCSc1c[nH]cn1 62a_100000756875_100102525003 [0,0,0,0,0,2|1,0,0]=3 2247 B12R1.255 NC(=O)CCCSc1c[nH]cn1 62a_100102525003_100000756875 [0,0,0,0,0,2|1,0,0]=3 2248 B12R1.255 NC(=O)CCCSc1c[nH]nn1 62a_100009819707_100102525003 [0,0,0,0,0,2|2,0,0]=4 2249 B12R1.255 NC(=O)CCCSc1c[nH]nn1 62a_100102525003_100009819707 [0,0,0,0,0,2|2,0,0]=4 2250 B12R1.255 NC(=O)CCCSc1cscn1 62a_100000751502_100102525003 [0,0,0,0,0,2|2,0,0]=4 2251 B12R1.255 NC(=O)CCCSc1cscn1 62a_100102525003_100000751502 [0,0,0,0,0,2|2,0,0]=4 2252 B12R1.255 NC(=O)CCCSc1nc[nH]n1 62a_100000761765_100102525003 [0,0,0,0,0,2|2,0,0]=4 2253 B12R1.255 NC(=O)CCCSc1nc[nH]n1 62a_100102525003_100000761765 [0,0,0,0,0,2|2,0,0]=4 2254 B12R1.255 NC(=O)CCNCc1cscn1 207a_100000740010_100000743575 [0,0,0,0,0,2|2,0,0]=4 2255 B12R1.255 NC(=O)CCNCc1cscn1 2230a_100015185402_100000744528 [0,0,0,0,0,2|2,0,0]=4 2256 B12R1.255 NC(=O)CCOCc1c[nH]cn1 34a_100000757172_100000707719 [0,0,0,0,0,2|1,0,0]=3 2257 B12R1.255 NC(=O)CCOCc1cscn1 34a_100000757172_100000205941 [0,0,0,0,0,2|2,0,0]=4 2258 B12R1.255 NC(=O)CCOCc1cscn1 7a_100000757172_100000205941 [0,0,0,0,0,2|2,0,0]=4 2259 B12R1.255 NC(=O)CCSCc1c[nH]cn1 62a_100000707719_100000744528 [0,0,0,0,0,2|1,0,0]=3 2260 B12R1.255 NC(=O)CCSCc1c[nH]cn1 62a_100000744528_100000707719 [0,0,0,0,0,2|1,0,0]=3 2261 B12R1.255 NC(=O)CCSCc1cscn1 62a_100000205941_100000744528 [0,0,0,0,0,2|2,0,0]=4 2262 B12R1.255 NC(=O)CCSCc1cscn1 62a_100000744528_100000205941 [0,0,0,0,0,2|2,0,0]=4 2263 B12R1.255 NC(=O)CNCCc1c[nH]cn1 2230a_100000711301_100020628418 [0,0,0,0,0,2|1,0,0]=3 2264 B12R1.255 NC(=O)CSCCc1c[nH]cn1 62a_100000747473_100020628418 [0,0,0,0,0,2|1,0,0]=3 2265 B12R1.255 NC(=O)CSCCc1c[nH]cn1 62a_100020628418_100000747473 [0,0,0,0,0,2|1,0,0]=3 2266 B12R1.255 NC(=O)NCCSc1c[nH]cn1 62a_100000756875_200000034859 [0,0,0,0,0,2|1,0,0]=3 2267 B12R1.255 NC(=O)NCCSc1c[nH]cn1 62a_200000034859_100000756875 [0,0,0,0,0,2|1,0,0]=3 2268 B12R1.255 NC(=O)NCCSc1c[nH]nn1 62a_100009819707_200000034859 [0,0,0,0,0,2|2,0,0]=4 2269 B12R1.255 NC(=O)NCCSc1c[nH]nn1 62a_200000034859_100009819707 [0,0,0,0,0,2|2,0,0]=4 2270 B12R1.255 NC(=O)NCCSc1cscn1 62a_100000751502_200000034859 [0,0,0,0,0,2|2,0,0]=4 2271 B12R1.255 NC(=O)NCCSc1cscn1 62a_200000034859_100000751502 [0,0,0,0,0,2|2,0,0]=4 2272 B12R1.255 NC(=O)NCCSc1nc[nH]n1 62a_100000761765_200000034859 [0,0,0,0,0,2|2,0,0]=4 2273 B12R1.255 NC(=O)NCCSc1nc[nH]n1 62a_200000034859_100000761765 [0,0,0,0,0,2|2,0,0]=4 2274 B12R1.255 NC(=O)OCCSc1c[nH]cn1 62a_100000756875_200011214921 [0,0,0,0,0,2|1,0,0]=3 2275 B12R1.255 NC(=O)OCCSc1c[nH]cn1 62a_200011214921_100000756875 [0,0,0,0,0,2|1,0,0]=3 2276 B12R1.255 NC(=O)OCCSc1c[nH]nn1 62a_100009819707_200011214921 [0,0,0,0,0,2|2,0,0]=4 2277 B12R1.255 NC(=O)OCCSc1c[nH]nn1 62a_200011214921_100009819707 [0,0,0,0,0,2|2,0,0]=4 2278 B12R1.255 NC(=O)OCCSc1cscn1 62a_100000751502_200011214921 [0,0,0,0,0,2|2,0,0]=4 2279 B12R1.255 NC(=O)OCCSc1cscn1 62a_200011214921_100000751502 [0,0,0,0,0,2|2,0,0]=4 2280 B12R1.255 NC(=O)OCCSc1nc[nH]n1 62a_100000761765_200011214921 [0,0,0,0,0,2|2,0,0]=4 2281 B12R1.255 NC(=O)OCCSc1nc[nH]n1 62a_200011214921_100000761765 [0,0,0,0,0,2|2,0,0]=4 2282 B12R1.255 O=C(O)CNCCc1c[nH]cn1 269956a_100016091260_100020628418 [0,0,0,0,0,2|0,0,0]=2 2283 B12R1.255 O=C(O)CNCCc1cccs1 269956a_100016091260_100000748579 [0,0,0,0,0,2|2,0,0]=4 2284 B12R1.255 O=C(O)CNCCc1cn[nH]c1 269956a_100016091260_100000743252 [0,0,0,0,0,2|2,0,0]=4 2285 B12R1.255 O=C(O)CNCCn1cccn1 269956a_100016091260_100000685285 [0,0,0,0,0,2|2,0,0]=4 2286 B12R1.255 O=C(O)CNCCn1cncn1 269956a_100016091260_100000731791 [0,0,0,0,0,2|1,0,1]=4 2287 B12R1.255 O=C(O)CONCc1c[nH]cn1 269956a_100000106656_100000707719 [0,0,0,0,0,2|0,0,0]=2 2288 B12R1.255 O=C(O)CONCc1ccon1 269956a_100000106656_100000234950 [0,0,0,0,0,2|2,0,0]=4 2289 B12R1.255 O=C(O)CONCc1ccsc1 269956a_100000106656_100011261437 [0,0,0,0,0,2|2,0,0]=4 2290 B12R1.255 O=C(O)CONCc1cncs1 269956a_100000106656_100015185245 [0,0,0,0,0,2|1,0,1]=4 2291 B12R1.255 O=C(O)CONCc1cscn1 269956a_100000106656_100000205941 [0,0,0,0,0,2|1,0,0]=3 2292 B12R1.255 O=C(O)CONCc1ncc[nH]1 269956a_100000106656_100000753453 [0,0,0,0,0,2|2,0,0]=4 2293 B12R1.255 O=C(O)CONCc1ncco1 269956a_100000106656_103436540062 [0,0,0,0,0,2|2,0,0]=4 2294 B12R1.255 O=C(O)CONCc1nccs1 269956a_100000106656_100015184050 [0,0,0,0,0,2|2,0,0]=4 2295 B12R1.255 O=C(O)CONCc1ncon1 269956a_100000106656_100000233494 [0,0,0,0,0,2|2,0,0]=4 2296 B12R1.255 O=C(O)CONCn1cncn1 269956a_100000106656_200020645497 [0,0,0,0,0,2|1,0,1]=4 2297 B12R1.255 O=C([O-])CSCCc1c[nH]cn1 62a_100020628418_100020667443 [0,0,0,0,0,2|0,0,1]=3 2298 B12R1.255 O=C([O-])CSCCc1c[nH]cn1 62a_100020667443_100020628418 [0,0,0,0,0,2|0,0,1]=3 2299 B12R1.255 O=[N+]([O-])CSCCc1c[nH]cn1 62a_100020628418_100000761209 [0,0,0,0,0,2|1,0,1]=4