0 B10R1.66 C=C(C)CSc1c[nH]cn1 62a_100000748629_100000756875 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.66 C=C(C)CSc1c[nH]cn1 62a_100000756875_100000211660 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.66 C=C(F)CSc1c[nH]cn1 62a_100000042424_100000756875 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.66 C=C(F)CSc1c[nH]cn1 62a_100000756875_100000042424 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.66 CC(=O)C=CC1=CCCC1 1458a_100016262312_200000210301 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.66 CC(=O)C=Cc1c[nH]cn1 1458a_100102678534_200000210301 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.66 CC(=O)C=Cc1cccs1 1458a_100000182767_200000210301 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.66 CC(=O)C=Cc1ccoc1 1458a_100000238621_200000210301 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.66 CC(=O)C=Cc1ccsc1 1458a_100000698588_200000210301 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.66 CC(=O)C=Cc1cscn1 1458a_200000747928_200000210301 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.66 CC(=O)C=Cc1nccs1 1458a_100102558208_200000210301 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.66 CC(=O)CCc1c[nH]cn1 1458a_100000070787_100020628418 [0,0,0,0,0,0|1,0,2]=3 12 B10R1.66 CC(=O)CCc1cc[nH]c1 1458a_200000093579_200000210301 [0,0,0,0,0,0|2,0,2]=4 13 B10R1.66 CC(=O)NCc1c[nH]cn1 11a_100000758547_100015343762 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.66 CC(=O)NCc1c[nH]cn1 240690a_100000758547_100015343762 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.66 CC(=O)NCc1c[nH]cn1 527a_100000758547_100103153847 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.66 CC(=O)NCc1c[nH]nn1 11a_100020620823_100015343762 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.66 CC(=O)NCc1c[nH]nn1 240690a_100020620823_100015343762 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.66 CC(=O)NCc1c[nH]nn1 527a_100020620823_100103153847 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.66 CC(=O)NCc1cocn1 11a_100015188801_100015343762 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.66 CC(=O)NCc1cocn1 240690a_100015188801_100015343762 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.66 CC(=O)NCc1cocn1 527a_100015188801_100103153847 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.66 CC(=O)NCc1cscn1 11a_100015185402_100015343762 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.66 CC(=O)NCc1cscn1 1626a_100015185402_100015343762 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.66 CC(=O)NCc1cscn1 240690a_100015185402_100015343762 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.66 CC(=O)NCc1cscn1 527a_100015185402_100103153847 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.66 CC(C)C=Cc1c[nH]cn1 271570a_100016257149_100000756875 [0,0,0,0,0,0|2,0,1]=3 27 B10R1.66 CC(C)C=Cc1cscn1 271570a_100016257149_100000751502 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.66 CC(C)C=Cc1nc[nH]n1 271570a_100016257149_100000761765 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.66 CC(O)C=Cc1c[nH]cn1 271570a_200011019289_100000756875 [0,0,0,0,0,0|1,0,1]=2 30 B10R1.66 CC(O)C=Cc1cc[nH]n1 271570a_200011019289_100000062575 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.66 CC(O)C=Cc1ccco1 271570a_200011019289_100009814098 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.66 CC(O)C=Cc1cccs1 271570a_200011019289_100011215356 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.66 CC(O)C=Cc1ccoc1 271570a_200011019289_100011215275 [0,0,0,0,0,0|3,0,1]=4 34 B10R1.66 CC(O)C=Cc1ccsc1 271570a_200011019289_100000738268 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.66 CC(O)C=Cc1ccsn1 271570a_200011019289_100009818082 [0,0,0,0,0,0|3,0,1]=4 36 B10R1.66 CC(O)C=Cc1cn[nH]c1 271570a_200011019289_100000238712 [0,0,0,0,0,0|3,0,1]=4 37 B10R1.66 CC(O)C=Cc1cnco1 271570a_200011019289_100020591547 [0,0,0,0,0,0|2,0,2]=4 38 B10R1.66 CC(O)C=Cc1cncs1 271570a_200011019289_100011934649 [0,0,0,0,0,0|2,0,2]=4 39 B10R1.66 CC(O)C=Cc1cscn1 271570a_200011019289_100000751502 [0,0,0,0,0,0|2,0,1]=3 40 B10R1.66 CC(O)C=Cc1nc[nH]n1 271570a_200011019289_100000761765 [0,0,0,0,0,0|2,0,1]=3 41 B10R1.66 CC(O)C=Cc1ncc[nH]1 271570a_200011019289_100025796157 [0,0,0,0,0,0|3,0,1]=4 42 B10R1.66 CC(O)C=Cc1ncco1 271570a_200011019289_100011787736 [0,0,0,0,0,0|3,0,1]=4 43 B10R1.66 CC(O)C=Cc1nccs1 271570a_200011019289_100000211983 [0,0,0,0,0,0|3,0,1]=4 44 B10R1.66 CC(O)C=Cc1ncns1 271570a_200011019289_100000693119 [0,0,0,0,0,0|2,0,2]=4 45 B10R1.66 CC(O)CSc1c[nH]cn1 62a_100000756875_100011218427 [0,0,0,0,0,0|2,0,2]=4 46 B10R1.66 CC(O)CSc1c[nH]cn1 62a_100011218427_100000756875 [0,0,0,0,0,0|2,0,2]=4 47 B10R1.66 C[C@@H](O)CSc1c[nH]cn1 62a_100000756875_100009817552 [0,0,0,0,0,0|2,0,2]=4 48 B10R1.66 C[C@@H](O)CSc1c[nH]cn1 62a_100009817552_100000756875 [0,0,0,0,0,0|2,0,2]=4 49 B10R1.66 NC(=O)CSc1c[nH]cn1 62a_100000747473_100000756875 [0,0,0,0,0,0|2,0,1]=3 50 B10R1.66 NC(=O)CSc1c[nH]cn1 62a_100000756875_100000747473 [0,0,0,0,0,0|2,0,1]=3 51 B10R1.66 NC(=O)CSc1c[nH]nn1 62a_100000747473_100009819707 [0,0,0,0,0,0|3,0,1]=4 52 B10R1.66 NC(=O)CSc1c[nH]nn1 62a_100009819707_100000747473 [0,0,0,0,0,0|3,0,1]=4 53 B10R1.66 NC(=O)CSc1cscn1 62a_100000747473_100000751502 [0,0,0,0,0,0|3,0,1]=4 54 B10R1.66 NC(=O)CSc1cscn1 62a_100000751502_100000747473 [0,0,0,0,0,0|3,0,1]=4 55 B10R1.66 NC(=O)CSc1nc[nH]n1 62a_100000747473_100000761765 [0,0,0,0,0,0|3,0,1]=4 56 B10R1.66 NC(=O)CSc1nc[nH]n1 62a_100000761765_100000747473 [0,0,0,0,0,0|3,0,1]=4 57 B10R1.66 O=C([O-])CSc1c[nH]cn1 62a_100000756875_100020667443 [0,0,0,0,0,0|1,0,2]=3 58 B10R1.66 O=C([O-])CSc1c[nH]cn1 62a_100020667443_100000756875 [0,0,0,0,0,0|1,0,2]=3 59 B10R1.66 O=C([O-])CSc1c[nH]nn1 62a_100009819707_100020667443 [0,0,0,0,0,0|2,0,2]=4 60 B10R1.66 O=C([O-])CSc1c[nH]nn1 62a_100020667443_100009819707 [0,0,0,0,0,0|2,0,2]=4 61 B10R1.66 O=C([O-])CSc1cscn1 62a_100000751502_100020667443 [0,0,0,0,0,0|2,0,2]=4 62 B10R1.66 O=C([O-])CSc1cscn1 62a_100020667443_100000751502 [0,0,0,0,0,0|2,0,2]=4 63 B10R1.66 O=C([O-])CSc1nc[nH]n1 62a_100000761765_100020667443 [0,0,0,0,0,0|2,0,2]=4 64 B10R1.66 O=C([O-])CSc1nc[nH]n1 62a_100020667443_100000761765 [0,0,0,0,0,0|2,0,2]=4 65 B10R1.66 O=[N+]([O-])CSc1c[nH]cn1 62a_100000756875_100000761209 [0,0,0,0,0,0|2,0,2]=4 66 B10R1.66 [13CH3]C(=O)C=CC1=CCCC1 1458a_100016262312_200025704644 [0,0,0,0,0,0|3,0,1]=4 67 B10R1.66 [13CH3]C(=O)C=Cc1c[nH]cn1 1458a_100102678534_200025704644 [0,0,0,0,0,0|1,0,0]=1 68 B10R1.66 [13CH3]C(=O)C=Cc1cccs1 1458a_100000182767_200025704644 [0,0,0,0,0,0|3,0,0]=3 69 B10R1.66 [13CH3]C(=O)C=Cc1ccoc1 1458a_100000238621_200025704644 [0,0,0,0,0,0|3,0,0]=3 70 B10R1.66 [13CH3]C(=O)C=Cc1ccsc1 1458a_100000698588_200025704644 [0,0,0,0,0,0|3,0,0]=3 71 B10R1.66 [13CH3]C(=O)C=Cc1cscn1 1458a_200000747928_200025704644 [0,0,0,0,0,0|2,0,0]=2 72 B10R1.66 [13CH3]C(=O)C=Cc1nccs1 1458a_100102558208_200025704644 [0,0,0,0,0,0|3,0,0]=3 73 B10R1.66 [13CH3]C(=O)CCc1cc[nH]c1 1458a_200000093579_200025704644 [0,0,0,0,0,0|2,0,2]=4 74 B9R1.12 C=CCSc1c[nH]cn1 62a_100000210623_100000756875 [1,0,0,0,0,0|2,0,1]=4 75 B9R1.12 C=CCSc1c[nH]cn1 62a_100000756875_100000210623 [1,0,0,0,0,0|2,0,1]=4 76 B9R1.12 O=CCSc1c[nH]cn1 62a_100000756875_200015260668 [1,0,0,0,0,0|1,0,1]=3 77 B9R1.12 O=CCSc1c[nH]cn1 62a_200015260668_100000756875 [1,0,0,0,0,0|1,0,1]=3 78 B9R1.12 O=CCSc1c[nH]nn1 62a_100009819707_200015260668 [1,0,0,0,0,0|2,0,1]=4 79 B9R1.12 O=CCSc1c[nH]nn1 62a_200015260668_100009819707 [1,0,0,0,0,0|2,0,1]=4 80 B9R1.12 O=CCSc1cscn1 62a_100000751502_200015260668 [1,0,0,0,0,0|2,0,1]=4 81 B9R1.12 O=CCSc1cscn1 62a_200015260668_100000751502 [1,0,0,0,0,0|2,0,1]=4 82 B9R1.12 O=CCSc1nc[nH]n1 62a_100000761765_200015260668 [1,0,0,0,0,0|2,0,1]=4 83 B9R1.12 O=CCSc1nc[nH]n1 62a_200015260668_100000761765 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.12 OCCSc1c[nH]cn1 62a_100000211926_100000756875 [1,0,0,0,0,0|1,0,2]=4 85 B9R1.12 OCCSc1c[nH]cn1 62a_100000756875_100000211926 [1,0,0,0,0,0|1,0,2]=4 86 B11R1.25 C#CC(=O)CCc1c[nH]cn1 1458a_100000211873_100020628418 [0,1,0,0,0,0|1,0,2]=4 87 B11R1.25 C=CC(=O)CCc1c[nH]cn1 1458a_100000185746_100020628418 [0,1,0,0,0,0|1,0,2]=4 88 B11R1.25 C=CC(=O)NCc1c[nH]cn1 240690a_100000758547_200121576911 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.25 CCC(=O)C=Cc1c[nH]cn1 1458a_100102678534_100000210202 [0,1,0,0,0,0|1,0,0]=2 90 B11R1.25 CCC(=O)C=Cc1cccs1 1458a_100000182767_100000210202 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.25 CCC(=O)C=Cc1ccoc1 1458a_100000238621_100000210202 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.25 CCC(=O)C=Cc1ccsc1 1458a_100000698588_100000210202 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.25 CCC(=O)C=Cc1cscn1 1458a_200000747928_100000210202 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.25 CCC(=O)C=Cc1nccs1 1458a_100102558208_100000210202 [0,1,0,0,0,0|3,0,0]=4 95 B11R1.25 CCC(=O)C=Cc1nccs1 6a_100000750902_100000211110 [0,1,0,0,0,0|3,0,0]=4 96 B11R1.25 CCC(=O)CCc1c[nH]cn1 1458a_100000210414_100020628418 [0,1,0,0,0,0|1,0,2]=4 97 B11R1.25 CCC(=O)CSc1c[nH]cn1 62a_100000747405_100000756875 [0,1,0,0,0,0|2,0,1]=4 98 B11R1.25 CCC(=O)CSc1c[nH]cn1 62a_100000756875_100000747405 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.25 CCC(=O)NCc1c[nH]cn1 11a_100000758547_100000210414 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.25 CCC(=O)NCc1c[nH]cn1 240690a_100000758547_100000210414 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.25 CCC(=O)NCc1c[nH]cn1 527a_100000758547_100000210414 [0,1,0,0,0,0|2,0,1]=4 102 B11R1.25 CNC(=O)C=Cc1c[nH]cn1 240690a_100102657272_100102678534 [0,1,0,0,0,0|1,0,0]=2 103 B11R1.25 CNC(=O)C=Cc1cccs1 11a_106832991635_100000182767 [0,1,0,0,0,0|3,0,0]=4 104 B11R1.25 CNC(=O)C=Cc1cccs1 1626a_100102657272_100000182767 [0,1,0,0,0,0|3,0,0]=4 105 B11R1.25 CNC(=O)C=Cc1cccs1 240690a_100102657272_100000182767 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.25 CNC(=O)C=Cc1ccoc1 11a_106832991635_100000238621 [0,1,0,0,0,0|3,0,0]=4 107 B11R1.25 CNC(=O)C=Cc1ccoc1 1626a_100102657272_100000238621 [0,1,0,0,0,0|3,0,0]=4 108 B11R1.25 CNC(=O)C=Cc1ccoc1 240690a_100102657272_100000238621 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.25 CNC(=O)C=Cc1ccsc1 11a_106832991635_100000698588 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.25 CNC(=O)C=Cc1ccsc1 1626a_100102657272_100000698588 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.25 CNC(=O)C=Cc1ccsc1 240690a_100102657272_100000698588 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.25 CNC(=O)C=Cc1ccsc1 527a_100102657272_100000698588 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.25 CNC(=O)C=Cc1cscn1 11a_106832991635_200000747928 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.25 CNC(=O)C=Cc1cscn1 1626a_100102657272_200000747928 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.25 CNC(=O)C=Cc1cscn1 240690a_100102657272_200000747928 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.25 CNC(=O)C=Cc1nccs1 11a_106832991635_100102558208 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.25 CNC(=O)C=Cc1nccs1 240690a_100102657272_100102558208 [0,1,0,0,0,0|3,0,0]=4 118 B11R1.25 CNC(=O)CSc1c[nH]cn1 62a_100000183359_100000756875 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.25 CNC(=O)CSc1c[nH]cn1 62a_100000756875_100000183359 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.25 CNC(=O)NCc1c[nH]cn1 2708a_100000758547_106832991635 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.25 CNC(=O)NCc1c[nH]cn1 2708a_100102657272_100000758547 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.25 CNC(=O)NCc1c[nH]cn1 273464a_100000758547_100102657272 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.25 CNC(=O)NCc1c[nH]cn1 273464a_100102657272_100000758547 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.25 CNC(=O)NCc1c[nH]cn1 512a_100000758547_100102657272 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.25 CNC(=O)NCc1c[nH]cn1 512a_106832991638_100000758547 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.25 COC(=O)CSc1c[nH]cn1 62a_100000747449_100000756875 [0,1,0,0,0,0|1,0,1]=3 127 B11R1.25 COC(=O)CSc1c[nH]cn1 62a_100000756875_100000747449 [0,1,0,0,0,0|1,0,1]=3 128 B11R1.25 COC(=O)CSc1c[nH]nn1 62a_100000747449_100009819707 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.25 COC(=O)CSc1c[nH]nn1 62a_100009819707_100000747449 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.25 COC(=O)CSc1cscn1 62a_100000747449_100000751502 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.25 COC(=O)CSc1cscn1 62a_100000751502_100000747449 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.25 COC(=O)CSc1nc[nH]n1 62a_100000747449_100000761765 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.25 COC(=O)CSc1nc[nH]n1 62a_100000761765_100000747449 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.25 O=C(C=Cc1c[nH]cn1)CF 1458a_100102678534_100015361967 [0,1,0,0,0,0|1,0,0]=2 135 B11R1.25 O=C(C=Cc1cccs1)CF 1458a_100000182767_100015361967 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.25 O=C(C=Cc1ccoc1)CF 1458a_100000238621_100015361967 [0,1,0,0,0,0|3,0,0]=4 137 B11R1.25 O=C(C=Cc1ccsc1)CF 1458a_100000698588_100015361967 [0,1,0,0,0,0|3,0,0]=4 138 B11R1.25 O=C(C=Cc1cscn1)CF 1458a_200000747928_100015361967 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.25 O=C(C=Cc1nccs1)CBr 6a_100000750902_100009888967 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.25 O=C(C=Cc1nccs1)CCl 6a_100000750902_100000086384 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.25 O=C(C=Cc1nccs1)CF 1458a_100102558208_100015361967 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.25 O=C(C=Cc1nccs1)CF 6a_100000750902_100000764096 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.25 O=C(CO)CCc1c[nH]cn1 1458a_100000210174_100020628418 [0,1,0,0,0,0|0,0,2]=3 144 B11R1.25 O=C(CO)NCc1c[nH]cn1 240690a_100000758547_100000210174 [0,1,0,0,0,0|1,0,1]=3 145 B11R1.25 O=C(CO)NCc1c[nH]cn1 527a_100000758547_100000210174 [0,1,0,0,0,0|1,0,1]=3 146 B11R1.25 O=C(CO)NCc1c[nH]nn1 240690a_100020620823_100000210174 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.25 O=C(CO)NCc1c[nH]nn1 527a_100020620823_100000210174 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.25 O=C(CO)NCc1cocn1 240690a_100015188801_100000210174 [0,1,0,0,0,0|2,0,1]=4 149 B11R1.25 O=C(CO)NCc1cocn1 527a_100015188801_100000210174 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.25 O=C(CO)NCc1cscn1 240690a_100015185402_100000210174 [0,1,0,0,0,0|2,0,1]=4 151 B11R1.25 O=C(CO)NCc1cscn1 527a_100015185402_100000210174 [0,1,0,0,0,0|2,0,1]=4 152 B11R1.35 C=C(C)C(=O)Cc1c[nH]cn1 1458a_100000185857_100000707719 [0,1,0,0,0,0|2,0,1]=4 153 B11R1.35 CC(=Cc1ccco1)C(=O)[13CH3] 1458a_100011995979_200025704644 [0,1,0,0,0,0|3,0,0]=4 154 B11R1.35 CC(=O)C(=Cc1ccco1)C 1458a_100011995979_200000210301 [0,1,0,0,0,0|3,0,0]=4 155 B11R1.35 CC(=O)C(C)Sc1c[nH]cn1 62a_100000756875_100009814033 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.35 CC(=O)C(C)Sc1c[nH]cn1 62a_100009814033_100000756875 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.35 CC(Sc1c[nH]cn1)C(=O)N 62a_100000702099_100000756875 [0,1,0,0,0,0|2,0,1]=4 158 B11R1.35 CC(Sc1c[nH]cn1)C(=O)N 62a_100000756875_100000702099 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.35 C[C@@H](O)C(=O)Cc1c[nH]cn1 1458a_100000717761_100000707719 [0,1,0,0,0,0|1,0,2]=4 160 B11R1.35 C[C@H](O)C(=O)Cc1c[nH]cn1 1458a_217856618621_100000707719 [0,1,0,0,0,0|1,0,2]=4 161 B11R1.35 NC(=O)C(F)Sc1c[nH]cn1 62a_100000756875_100009813875 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.35 NC(=O)C(F)Sc1c[nH]cn1 62a_100009813875_100000756875 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.35 O=C(Cc1c[nH]cn1)C(O)O 1458a_100000233687_100000707719 [0,1,0,0,0,0|0,0,3]=4 164 B11R1.35 O=C([O-])C(F)Sc1c[nH]cn1 62a_100000756875_100020610796 [0,1,0,0,0,0|1,0,2]=4 165 B11R1.35 O=C([O-])C(F)Sc1c[nH]cn1 62a_100020610796_100000756875 [0,1,0,0,0,0|1,0,2]=4 166 B11R1.75 CC(=O)C=Cc1cc(cs1)Br 1458a_100102601599_200000210301 [0,1,0,0,0,0|3,0,0]=4 167 B11R1.75 CC(=O)C=Cc1ccc(o1)Br 1458a_100000182240_200000210301 [0,1,0,0,0,0|3,0,0]=4 168 B11R1.75 CC(=O)C=Cc1ccc(o1)C 1458a_100000183563_200000210301 [0,1,0,0,0,0|3,0,0]=4 169 B11R1.75 CC(=O)C=Cc1ccc(o1)I 1458a_100000679848_200000210301 [0,1,0,0,0,0|3,0,0]=4 170 B11R1.75 CC(=O)C=Cc1ccc(s1)Br 1458a_100102558031_200000210301 [0,1,0,0,0,0|3,0,0]=4 171 B11R1.75 CC(=O)C=Cc1ccc(s1)C 1458a_100102558089_200000210301 [0,1,0,0,0,0|3,0,0]=4 172 B11R1.75 CC(=O)C=Cc1ccc(s1)Cl 1458a_100102558157_200000210301 [0,1,0,0,0,0|3,0,0]=4 173 B11R1.75 CC(=O)C=Cc1cnn(c1)C 1458a_100000230101_200000210301 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.75 CC(=O)NCc1cn(cn1)C 11a_100011834058_100015343762 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.75 CC(=O)NCc1cn(cn1)C 1626a_100011834058_100015343762 [0,1,0,0,0,0|2,0,1]=4 176 B11R1.75 CC(=O)NCc1cn(cn1)C 240690a_100011834058_100015343762 [0,1,0,0,0,0|2,0,1]=4 177 B11R1.75 CC(=O)NCc1cn(cn1)C 527a_100011834058_100103153847 [0,1,0,0,0,0|2,0,1]=4 178 B11R1.75 CC(C)C=Cc1cn(cn1)C 271570a_100016257149_100000040308 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.75 CC(O)C=Cc1cn(cn1)C 271570a_200011019289_100000040308 [0,1,0,0,0,0|1,0,1]=3 180 B11R1.75 CC(O)C=Cc1cn(nn1)C 271570a_200011019289_100000760339 [0,1,0,0,0,0|2,0,1]=4 181 B11R1.75 CC(O)C=Cc1csc(n1)N 271570a_200011019289_100011998049 [0,1,0,0,0,0|2,0,1]=4 182 B11R1.75 CC(O)C=Cc1n[nH]c(n1)N 271570a_200011019289_100015184587 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.75 CC(O)C=Cc1ncn(n1)C 271570a_200011019289_100009819955 [0,1,0,0,0,0|2,0,1]=4 184 B11R1.75 Cc1ccc(o1)C=CC(=O)[13CH3] 1458a_100000183563_200025704644 [0,1,0,0,0,0|3,0,0]=4 185 B11R1.75 Cc1ccc(s1)C=CC(=O)[13CH3] 1458a_100102558089_200025704644 [0,1,0,0,0,0|3,0,0]=4 186 B11R1.75 Cc1nc(c[nH]1)C=CC(C)C 271570a_100016257149_100009814057 [0,1,0,0,0,0|2,0,1]=4 187 B11R1.75 Cc1nc(c[nH]1)C=CC(C)O 271570a_200011019289_100009814057 [0,1,0,0,0,0|1,0,1]=3 188 B11R1.75 Cc1nc(c[nH]1)SCC(=O)N 62a_100000747473_100009814057 [0,1,0,0,0,0|2,0,1]=4 189 B11R1.75 Cc1nc(c[nH]1)SCC(=O)N 62a_100009814057_100000747473 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.75 Cc1nc(c[nH]1)SCC(=O)[O-] 62a_100009814057_100020667443 [0,1,0,0,0,0|1,0,2]=4 191 B11R1.75 Cc1nc(c[nH]1)SCC(=O)[O-] 62a_100020667443_100009814057 [0,1,0,0,0,0|1,0,2]=4 192 B11R1.75 Cc1nc(cs1)C=CC(C)O 271570a_200011019289_100011934587 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.75 Cc1nc(n[nH]1)C=CC(C)O 271570a_200011019289_100000732540 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.75 Cn1cc(cn1)C=CC(=O)[13CH3] 1458a_100000230101_200025704644 [0,1,0,0,0,0|3,0,0]=4 195 B11R1.75 Cn1cc(nn1)CCC(=O)O 274090a_200000210301_100000692101 [0,1,0,0,0,0|1,0,2]=4 196 B11R1.75 Cn1cnc(c1)SCC(=O)N 62a_100000040308_100000747473 [0,1,0,0,0,0|2,0,1]=4 197 B11R1.75 Cn1cnc(c1)SCC(=O)N 62a_100000747473_100000040308 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.75 Cn1cnc(c1)SCC(=O)[O-] 62a_100000040308_100020667443 [0,1,0,0,0,0|1,0,2]=4 199 B11R1.75 Cn1cnc(c1)SCC(=O)[O-] 62a_100020667443_100000040308 [0,1,0,0,0,0|1,0,2]=4 200 B11R1.75 [13CH3]C(=O)C=Cc1cc(cs1)Br 1458a_100102601599_200025704644 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.75 [13CH3]C(=O)C=Cc1ccc(o1)Br 1458a_100000182240_200025704644 [0,1,0,0,0,0|3,0,0]=4 202 B11R1.75 [13CH3]C(=O)C=Cc1ccc(o1)I 1458a_100000679848_200025704644 [0,1,0,0,0,0|3,0,0]=4 203 B11R1.75 [13CH3]C(=O)C=Cc1ccc(s1)Br 1458a_100102558031_200025704644 [0,1,0,0,0,0|3,0,0]=4 204 B11R1.75 [13CH3]C(=O)C=Cc1ccc(s1)Cl 1458a_100102558157_200025704644 [0,1,0,0,0,0|3,0,0]=4 205 B11R1.75 [13CH3]n1cc(nn1)CCC(=O)O 274090a_200025704644_100000692101 [0,1,0,0,0,0|1,0,2]=4 206 B11R1.90 CC(=O)C=Cc1sccc1C 1458a_100000185125_200000210301 [0,1,0,0,0,0|3,0,0]=4 207 B11R1.90 Cc1[nH]cnc1C=CC(C)C 271570a_100016257149_100009816806 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.90 Cc1[nH]cnc1C=CC(C)O 271570a_200011019289_100009816806 [0,1,0,0,0,0|1,0,1]=3 209 B11R1.90 Cc1[nH]cnc1SCC(=O)N 62a_100000747473_100010186451 [0,1,0,0,0,0|2,0,1]=4 210 B11R1.90 Cc1[nH]cnc1SCC(=O)N 62a_100010186451_100000747473 [0,1,0,0,0,0|2,0,1]=4 211 B11R1.90 Cc1[nH]cnc1SCC(=O)[O-] 62a_100010186451_100020667443 [0,1,0,0,0,0|1,0,2]=4 212 B11R1.90 Cc1[nH]cnc1SCC(=O)[O-] 62a_100020667443_100010186451 [0,1,0,0,0,0|1,0,2]=4 213 B11R1.90 Cc1ccsc1C=CC(=O)[13CH3] 1458a_100000185125_200025704644 [0,1,0,0,0,0|3,0,0]=4 214 B11R1.90 Cc1scnc1C=CC(C)O 271570a_200011019289_100000732656 [0,1,0,0,0,0|2,0,1]=4 215 B11R1.510 CC(C)(C)C=Cc1c[nH]cn1 271570a_100102527731_100000756875 [0,1,0,0,0,0|2,0,1]=4 216 B11R1.510 CC(C)(O)C=Cc1c[nH]cn1 271570a_200016258132_100000756875 [0,1,0,0,0,0|1,0,1]=3 217 B11R1.510 CC(C)(O)C=Cc1cscn1 271570a_200016258132_100000751502 [0,1,0,0,0,0|2,0,1]=4 218 B11R1.510 CC(C)(O)C=Cc1nc[nH]n1 271570a_200016258132_100000761765 [0,1,0,0,0,0|2,0,1]=4 219 B11R2.36 Oc1cc2[nH]ccc2cn1 271570a_203496583355_100000089685 [0,0,0,1,0,0|3,0,0]=4 220 B11R2.36 Oc1ccc2[nH]ccc2c1 271570a_203496583355_100000211741 [0,0,0,1,0,0|2,0,1]=4 221 B11R2.36 Oc1ccc2[nH]ccc2n1 271570a_203496583355_100000087148 [0,0,0,1,0,0|2,0,1]=4 222 B11R2.36 Oc1ccc2[nH]cnc2c1 271570a_203496583355_100011265325 [0,0,0,1,0,0|1,0,2]=4 223 B11R2.36 Oc1ccc2c(c1)C=CC2 271570a_203496583355_100009814306 [0,0,0,1,0,0|3,0,0]=4 224 B11R2.36 Oc1ccc2c(c1)CC=C2 271570a_203496583355_200009818231 [0,0,0,1,0,0|3,0,0]=4 225 B11R2.36 Oc1ccc2c(c1)NCC2 271570a_203496583355_100000754641 [0,0,0,1,0,0|2,0,1]=4 226 B11R2.36 Oc1ccc2cc[nH]c2c1 271570a_203496583355_100000743809 [0,0,0,1,0,0|2,0,0]=3 227 B11R2.36 Oc1ccc2cc[nH]c2n1 271570a_203496583355_100009814870 [0,0,0,1,0,0|2,0,0]=3 228 B11R2.36 Oc1ccc2ccoc2c1 271570a_203496583355_100000759542 [0,0,0,1,0,0|3,0,0]=4 229 B11R2.36 Oc1ccc2ccsc2c1 271570a_203496583355_100009888917 [0,0,0,1,0,0|3,0,0]=4 230 B11R2.36 Oc1ccc2cn[nH]c2c1 271570a_203496583355_100000049514 [0,0,0,1,0,0|3,0,0]=4 231 B11R2.36 Oc1ccc2cn[nH]c2n1 271570a_203496583355_100009883947 [0,0,0,1,0,0|3,0,0]=4 232 B11R2.36 Oc1ccc2cncn2c1 271570a_203496583355_100009887162 [0,0,0,1,0,0|1,0,2]=4 233 B11R2.36 Oc1ccc2cscc2c1 271570a_203496583355_200010760811 [0,0,0,1,0,0|3,0,0]=4 234 B11R2.36 Oc1ccc2nc[nH]c2n1 271570a_203496583355_100000077665 [0,0,0,1,0,0|1,0,0]=2 235 B11R2.36 Oc1ccc2nccn2c1 271570a_203496583355_100000746083 [0,0,0,1,0,0|3,0,0]=4 236 B11R2.36 Oc1ccc2nccn2n1 271570a_203496583355_100009883166 [0,0,0,1,0,0|3,0,0]=4 237 B11R2.36 Oc1ccc2ncnn2c1 271570a_203496583355_100009816971 [0,0,0,1,0,0|2,0,1]=4 238 B11R2.36 Oc1ccc2ncoc2c1 271570a_203496583355_100009817590 [0,0,0,1,0,0|2,0,0]=3 239 B11R2.36 Oc1ccc2ncsc2c1 271570a_203496583355_100009816678 [0,0,0,1,0,0|2,0,0]=3 240 B11R2.36 Oc1ccc2ncsc2n1 271570a_203496583355_100010381354 [0,0,0,1,0,0|2,0,0]=3 241 B11R2.36 Oc1ccc2nn[nH]c2c1 271570a_203496583355_100009817464 [0,0,0,1,0,0|2,0,0]=3 242 B11R2.36 Oc1ccc2nonc2c1 271570a_203496583355_100009814275 [0,0,0,1,0,0|2,0,1]=4 243 B11R2.36 Oc1ccc2nsnc2c1 271570a_203496583355_100009814274 [0,0,0,1,0,0|2,0,1]=4 244 B11R2.36 Oc1ccc2occc2c1 271570a_203496583355_100012343831 [0,0,0,1,0,0|3,0,0]=4 245 B11R2.36 Oc1ccc2occc2n1 271570a_203496583355_100009851292 [0,0,0,1,0,0|3,0,0]=4 246 B11R2.36 Oc1ccc2ocnc2c1 271570a_203496583355_100009816175 [0,0,0,1,0,0|2,0,1]=4 247 B11R2.36 Oc1ccc2sccc2c1 271570a_203496583355_100009814439 [0,0,0,1,0,0|3,0,0]=4 248 B11R2.36 Oc1ccc2sccc2n1 271570a_203496583355_100012000956 [0,0,0,1,0,0|3,0,0]=4 249 B11R2.36 Oc1ccc2scnc2c1 271570a_203496583355_100010005895 [0,0,0,1,0,0|2,0,1]=4 250 B11R2.36 Oc1ccn2nccc2c1 271570a_203496583355_100000763084 [0,0,0,1,0,0|3,0,0]=4 251 B11R2.36 Oc1ccn2nccc2n1 271570a_203496583355_100000691470 [0,0,0,1,0,0|3,0,0]=4 252 B11R2.36 Oc1ccn2ncnc2c1 271570a_203496583355_100009819723 [0,0,0,1,0,0|2,0,1]=4 253 B11R2.36 Oc1ccn2ncnc2n1 271570a_203496583355_100000054300 [0,0,0,1,0,0|2,0,1]=4 254 B11R2.36 Oc1cnc2cc[nH]c2c1 271570a_203496583355_100009818992 [0,0,0,1,0,0|3,0,0]=4 255 B11R2.36 Oc1cnc2nc[nH]c2c1 271570a_203496583355_100000760087 [0,0,0,1,0,0|2,0,0]=3 256 B11R2.36 Oc1cnc2ncoc2c1 271570a_203496583355_100000721906 [0,0,0,1,0,0|3,0,0]=4 257 B11R2.385 C(=CC1CC1)c2c[nH]cn2 271570a_100102526188_100000756875 [0,0,0,1,0,0|2,0,1]=4 258 B9R1.13 CC(=Cc1c[nH]cn1)C 271570a_100102525489_100000756875 [0,0,0,0,1,0|2,0,0]=3 259 B9R1.13 CC(=Cc1cscn1)C 271570a_100102525489_100000751502 [0,0,0,0,1,0|3,0,0]=4 260 B9R1.13 CC(=Cc1nc[nH]n1)C 271570a_100102525489_100000761765 [0,0,0,0,1,0|3,0,0]=4 261 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100000070787_100000707719 [0,0,0,0,1,0|1,0,1]=3 262 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100015291406_200000210301 [0,0,0,0,1,0|1,0,1]=3 263 B9R1.13 CC(=O)Cc1cscn1 1458a_100000070787_100000205941 [0,0,0,0,1,0|2,0,1]=4 264 B9R1.13 CC(=O)Cc1cscn1 1458a_100011438297_200000210301 [0,0,0,0,1,0|2,0,1]=4 265 B9R1.13 [13CH3]C(=O)Cc1c[nH]cn1 1458a_100015291406_200025704644 [0,0,0,0,1,0|1,0,1]=3 266 B9R1.13 [13CH3]C(=O)Cc1cscn1 1458a_100011438297_200025704644 [0,0,0,0,1,0|2,0,1]=4 267 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [0,0,0,0,0,1|3,0,0]=4 268 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [0,0,0,0,0,1|2,0,0]=3 269 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [0,0,0,0,0,1|2,0,0]=3 270 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [0,0,0,0,0,1|2,0,1]=4 271 B11R1.91 CC(O)C=Cc1ccccn1 271570a_200011019289_100011216584 [0,0,0,0,0,1|2,0,1]=4 272 B11R1.91 CC(O)C=Cc1cccnc1 271570a_200011019289_100000752921 [0,0,0,0,0,1|2,0,1]=4 273 B11R1.91 CC(O)C=Cc1cccnn1 271570a_200011019289_100016991348 [0,0,0,0,0,1|2,0,1]=4 274 B11R1.91 CC(O)C=Cc1ccncn1 271570a_200011019289_100000703185 [0,0,0,0,0,1|1,0,2]=4 275 B11R1.91 CC(O)C=Cc1cnccn1 271570a_200011019289_100000758340 [0,0,0,0,0,1|1,0,2]=4 276 B11R1.91 CC(O)C=Cc1cncnc1 271570a_200011019289_100011206942 [0,0,0,0,0,1|1,0,2]=4 277 B11R1.91 CC(O)C=Cc1ncccn1 271570a_200011019289_100000211032 [0,0,0,0,0,1|2,0,1]=4 278 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [0,0,0,0,0,1|3,0,0]=4 279 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [0,0,0,0,0,1|2,0,0]=3 280 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [0,0,0,0,0,1|2,0,0]=3 281 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [0,0,0,0,0,1|2,0,1]=4 282 B11R1.172 CC(=CCSc1c[nH]cn1)C 62a_100000756875_100000761012 [0,0,0,0,0,1|2,0,1]=4 283 B11R1.172 CC(=CCSc1c[nH]cn1)C 62a_100000761012_100000756875 [0,0,0,0,0,1|2,0,1]=4 284 B11R1.172 CC(=O)CCSc1c[nH]cn1 62a_100000053229_100000756875 [0,0,0,0,0,1|1,0,2]=4 285 B11R1.172 CC(=O)CCSc1c[nH]cn1 62a_100000756875_100000053229 [0,0,0,0,0,1|1,0,2]=4 286 B11R1.172 CC(=O)COCc1c[nH]cn1 34a_100000211253_100000707719 [0,0,0,0,0,1|1,0,2]=4 287 B11R1.172 CC(=O)NCCc1c[nH]cn1 11a_100000755092_100015343762 [0,0,0,0,0,1|1,0,2]=4 288 B11R1.172 CC(=O)NCCc1c[nH]cn1 527a_100000755092_100103153847 [0,0,0,0,0,1|1,0,2]=4 289 B11R1.172 CC(=O)NN=Cc1cc[nH]c1 4a_100000189765_100000760201 [0,0,0,0,0,1|3,0,0]=4 290 B11R1.172 CC(=O)NN=Cc1cocn1 4a_100000189765_100000050382 [0,0,0,0,0,1|3,0,0]=4 291 B11R1.172 CC(=O)NN=Cc1cscn1 4a_100000189765_100000743575 [0,0,0,0,0,1|3,0,0]=4 292 B11R1.172 CC(=O)OCSc1c[nH]cn1 62a_100000076356_100000756875 [0,0,0,0,0,1|2,0,1]=4 293 B11R1.172 CC(=O)OCSc1c[nH]cn1 62a_100000756875_100000076356 [0,0,0,0,0,1|2,0,1]=4 294 B11R1.172 CC(C)CC=Cc1c[nH]cn1 271570a_100016259101_100000756875 [0,0,0,0,0,1|2,0,1]=4 295 B11R1.172 NC(=O)CCSc1c[nH]cn1 62a_100000744528_100000756875 [0,0,0,0,0,1|1,0,2]=4 296 B11R1.172 NC(=O)CCSc1c[nH]cn1 62a_100000756875_100000744528 [0,0,0,0,0,1|1,0,2]=4 297 B11R1.172 NC(=O)CNCc1c[nH]cn1 2230a_100000711301_100000707719 [0,0,0,0,0,1|1,0,2]=4 298 B11R1.172 NC(=O)CSCc1c[nH]cn1 62a_100000707719_100000747473 [0,0,0,0,0,1|1,0,2]=4 299 B11R1.172 NC(=O)CSCc1c[nH]cn1 62a_100000747473_100000707719 [0,0,0,0,0,1|1,0,2]=4 300 B11R1.172 O=C(O)CNCc1c[nH]cn1 269956a_100016091260_100000707719 [0,0,0,0,0,1|0,0,2]=3 301 B11R1.172 O=C(O)CNCc1cscn1 269956a_100016091260_100000205941 [0,0,0,0,0,1|1,0,2]=4 302 B11R1.172 O=C([O-])CSCc1c[nH]cn1 62a_100000707719_100020667443 [0,0,0,0,0,1|0,0,3]=4 303 B11R1.172 O=C([O-])CSCc1c[nH]cn1 62a_100020667443_100000707719 [0,0,0,0,0,1|0,0,3]=4 304 B8R1.8 C=C=Cc1c[nH]cn1 271570a_100015277604_100000756875 [2,0,0,0,0,0|0,0,1]=3 305 B8R1.8 C=C=Cc1cscn1 271570a_100015277604_100000751502 [2,0,0,0,0,0|1,0,1]=4 306 B8R1.8 C=C=Cc1nc[nH]n1 271570a_100015277604_100000761765 [2,0,0,0,0,0|1,0,1]=4 307 B8R1.8 CC=Cc1c[nH]cn1 271570a_100016259895_100000756875 [2,0,0,0,0,0|0,0,1]=3 308 B8R1.8 CC=Cc1cscn1 271570a_100016259895_100000751502 [2,0,0,0,0,0|1,0,1]=4 309 B8R1.8 CC=Cc1nc[nH]n1 271570a_100016259895_100000761765 [2,0,0,0,0,0|1,0,1]=4 310 B10R1.16 Cc1nc(c[nH]1)SCC=O 62a_100009814057_200015260668 [1,1,0,0,0,0|1,0,1]=4 311 B10R1.16 Cc1nc(c[nH]1)SCC=O 62a_200015260668_100009814057 [1,1,0,0,0,0|1,0,1]=4 312 B10R1.16 Cn1cnc(c1)SCC=O 62a_100000040308_200015260668 [1,1,0,0,0,0|1,0,1]=4 313 B10R1.16 Cn1cnc(c1)SCC=O 62a_200015260668_100000040308 [1,1,0,0,0,0|1,0,1]=4 314 B10R1.21 C/C=C/CSc1c[nH]cn1 62a_100000756875_100102629194 [1,1,0,0,0,0|1,0,1]=4 315 B10R1.21 C/C=C/CSc1c[nH]cn1 62a_100102629194_100000756875 [1,1,0,0,0,0|1,0,1]=4 316 B10R1.21 CC=CCSc1c[nH]cn1 62a_100000070051_100000756875 [1,1,0,0,0,0|1,0,1]=4 317 B10R1.21 CC=CCSc1c[nH]cn1 62a_100000756875_100000070051 [1,1,0,0,0,0|1,0,1]=4 318 B10R1.21 CCCC=Cc1c[nH]cn1 271570a_100016258520_100000756875 [1,1,0,0,0,0|1,0,1]=4 319 B10R1.21 CCOC=Cc1c[nH]cn1 271570a_100016256518_100000756875 [1,1,0,0,0,0|1,0,1]=4 320 B10R1.21 COCC=Cc1c[nH]cn1 271570a_100016286323_100000756875 [1,1,0,0,0,0|0,0,1]=3 321 B10R1.21 COCC=Cc1cscn1 271570a_100016286323_100000751502 [1,1,0,0,0,0|1,0,1]=4 322 B10R1.21 COCC=Cc1nc[nH]n1 271570a_100016286323_100000761765 [1,1,0,0,0,0|1,0,1]=4 323 B10R1.21 O=CCSCc1c[nH]cn1 62a_100000707719_200015260668 [1,1,0,0,0,0|0,0,2]=4 324 B10R1.21 O=CCSCc1c[nH]cn1 62a_200015260668_100000707719 [1,1,0,0,0,0|0,0,2]=4 325 B10R1.27 C=CC(=O)Cc1c[nH]cn1 1458a_100000185746_100000707719 [1,1,0,0,0,0|1,0,1]=4 326 B10R1.27 O=C(CO)Cc1c[nH]cn1 1458a_100000210174_100000707719 [1,1,0,0,0,0|0,0,2]=4 327 B10R1.29 Cc1[nH]cnc1SCC=O 62a_100010186451_200015260668 [1,1,0,0,0,0|1,0,1]=4 328 B10R1.29 Cc1[nH]cnc1SCC=O 62a_200015260668_100010186451 [1,1,0,0,0,0|1,0,1]=4 329 B10R1.23 CC(=C(C)c1c[nH]cn1)C 271570a_200000049429_100000756875 [0,1,0,0,1,0|2,0,0]=4 330 B10R1.54 CC(=Cc1c[nH]c(n1)C)C 271570a_100102525489_100009814057 [0,1,0,0,1,0|2,0,0]=4 331 B10R1.54 CC(=Cc1cn(cn1)C)C 271570a_100102525489_100000040308 [0,1,0,0,1,0|2,0,0]=4 332 B10R1.54 CC(=O)Cc1cn(cn1)C 1458a_100000070787_100000717665 [0,1,0,0,1,0|1,0,1]=4 333 B10R1.54 CC(=O)Cc1cn(cn1)C 1458a_100011512828_200000210301 [0,1,0,0,1,0|1,0,1]=4 334 B10R1.54 Cn1cnc(c1)CC(=O)[13CH3] 1458a_100011512828_200025704644 [0,1,0,0,1,0|1,0,1]=4 335 B10R1.64 CC(=Cc1nc[nH]c1C)C 271570a_100102525489_100009816806 [0,1,0,0,1,0|2,0,0]=4 336 B10R1.64 CC(=O)Cc1nc[nH]c1C 1458a_100000070787_100000751220 [0,1,0,0,1,0|1,0,1]=4 337 B12R1.21 CC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_200000210301 [0,1,0,0,0,1|2,0,0]=4 338 B12R1.21 CC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_200000210301 [0,1,0,0,0,1|2,0,0]=4 339 B12R1.21 CC(O)C=Cc1cnc(=O)[nH]c1 271570a_200011019289_102495366499 [0,1,0,0,0,1|1,0,1]=4 340 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cn1)F 1458a_100020630499_200025704644 [0,1,0,0,0,1|2,0,0]=4 341 B12R1.21 [13CH3]C(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_200025704644 [0,1,0,0,0,1|2,0,0]=4 342 B12R1.27 CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210202 [0,1,0,0,0,1|2,0,0]=4 343 B12R1.27 CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210202 [0,1,0,0,0,1|2,0,0]=4 344 B12R1.27 CCC(=O)C=Cc1cncnc1 6a_100000749868_100000211110 [0,1,0,0,0,1|1,0,1]=4 345 B12R1.27 CNC(=O)C=Cc1ccccn1 11a_106832991635_100000740811 [0,1,0,0,0,1|2,0,0]=4 346 B12R1.27 CNC(=O)C=Cc1ccccn1 240690a_100102657272_100000740811 [0,1,0,0,0,1|2,0,0]=4 347 B12R1.27 CNC(=O)C=Cc1cccnc1 11a_106832991635_100000735890 [0,1,0,0,0,1|2,0,0]=4 348 B12R1.27 CNC(=O)C=Cc1cccnc1 240690a_100102657272_100000735890 [0,1,0,0,0,1|2,0,0]=4 349 B12R1.27 O=C(C=Cc1ccccn1)CF 1458a_100000740811_100015361967 [0,1,0,0,0,1|2,0,0]=4 350 B12R1.27 O=C(C=Cc1cccnc1)CF 1458a_100000735890_100015361967 [0,1,0,0,0,1|2,0,0]=4 351 B12R1.27 O=C(C=Cc1cncnc1)CBr 6a_100000749868_100009888967 [0,1,0,0,0,1|1,0,1]=4 352 B12R1.27 O=C(C=Cc1cncnc1)CCl 6a_100000749868_100000086384 [0,1,0,0,0,1|1,0,1]=4 353 B12R1.27 O=C(C=Cc1cncnc1)CF 6a_100000749868_100000764096 [0,1,0,0,0,1|1,0,1]=4 354 B12R1.43 C/C(=C\c1ccccn1)/C(=O)[13CH3] 1458a_100025712827_200025704644 [0,1,0,0,0,1|2,0,0]=4 355 B12R1.43 CC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_200000210301 [0,1,0,0,0,1|2,0,0]=4 356 B12R1.43 CC(=O)C(=Cc1cccnc1)F 1458a_100000731744_200000210301 [0,1,0,0,0,1|2,0,0]=4 357 B12R1.43 [13CH3]C(=O)C(=Cc1cccnc1)F 1458a_100000731744_200025704644 [0,1,0,0,0,1|2,0,0]=4 358 B12R1.125 CC(O)C=Cc1ncc[nH]c1=O 271570a_200011019289_100000763361 [0,1,0,0,0,1|1,0,1]=4 359 B12R1.226 CC(O)C=Cc1cc[nH]c(=O)n1 271570a_200011019289_200000134032 [0,1,0,0,0,1|1,0,1]=4 360 B12R1.54 CC(=O)NN=C(C)c1c[nH]cn1 4a_100000189765_100011246050 [0,1,0,0,0,1|2,0,0]=4 361 B12R1.105 CC(=O)NN=Cc1c[nH]c(n1)C 4a_100000189765_100011219055 [0,1,0,0,0,1|2,0,0]=4 362 B12R1.105 CC(=O)NN=Cc1cn(cn1)C 4a_100000189765_100000684808 [0,1,0,0,0,1|2,0,0]=4 363 B12R1.105 Cn1cnc(c1)CNCC(=O)O 269956a_100016091260_100000717665 [0,1,0,0,0,1|0,0,2]=4 364 B12R1.130 CC(=O)NN=Cc1nc[nH]c1Br 4a_100000189765_100015192532 [0,1,0,0,0,1|2,0,0]=4 365 B12R1.130 CC(=O)NN=Cc1nc[nH]c1C 4a_100000189765_100000032982 [0,1,0,0,0,1|2,0,0]=4 366 B12R1.130 Cc1[nH]cnc1CNCC(=O)O 269956a_100016091260_100000751220 [0,1,0,0,0,1|0,0,2]=4 367 B12R1.260 CC(=CC(=O)Cc1c[nH]cn1)C 1458a_100000211388_100000707719 [0,1,0,0,0,1|2,0,0]=4 368 B12R1.260 CC(=CC(=O)Cc1c[nH]cn1)Cl 1458a_200042562850_100000707719 [0,1,0,0,0,1|2,0,0]=4 369 B12R1.260 CC(=CC(=O)Cc1c[nH]cn1)I 1458a_100025716642_100000707719 [0,1,0,0,0,1|2,0,0]=4 370 B12R1.260 CN(CC(=O)O)Cc1c[nH]cn1 269956a_100000746989_100000707719 [0,1,0,0,0,1|0,0,2]=4 371 B12R1.260 NC(=O)CC(=O)Cc1c[nH]cn1 1458a_100015291406_100000187820 [0,1,0,0,0,1|1,0,1]=4 372 B12R1.260 NC(=O)CC(=O)Cc1c[nH]cn1 1458a_100134613110_100000707719 [0,1,0,0,0,1|1,0,1]=4 373 B12R1.260 O=C(C=C(Cl)Cl)Cc1c[nH]cn1 1458a_100000137448_100000707719 [0,1,0,0,0,1|2,0,0]=4 374 B12R1.260 O=C([O-])CC(=O)Cc1c[nH]cn1 1458a_100015291406_100020667443 [0,1,0,0,0,1|0,0,2]=4 375 B12R1.264 CC(=O)C(=O)CSc1c[nH]cn1 62a_100000756875_100011261029 [0,1,0,0,0,1|1,0,1]=4 376 B12R1.264 CC(=O)C(=O)CSc1c[nH]cn1 62a_100011261029_100000756875 [0,1,0,0,0,1|1,0,1]=4 377 B12R1.264 C[C@H](NCc1c[nH]cn1)C(=O)O 269956a_100000743915_100000707719 [0,1,0,0,0,1|0,0,2]=4 378 B12R1.264 NC(=O)C(=O)NCc1c[nH]cn1 240690a_100000758547_100011215815 [0,1,0,0,0,1|1,0,1]=4 379 B12R1.477 COC(=O)CCSc1c[nH]cn1 62a_100000204255_100000756875 [0,1,0,0,0,1|0,0,2]=4 380 B12R1.477 COC(=O)CCSc1c[nH]cn1 62a_100000756875_100000204255 [0,1,0,0,0,1|0,0,2]=4 381 B12R1.477 COC(=O)CSCc1c[nH]cn1 62a_100000707719_100000747449 [0,1,0,0,0,1|0,0,2]=4 382 B12R1.477 COC(=O)CSCc1c[nH]cn1 62a_100000747449_100000707719 [0,1,0,0,0,1|0,0,2]=4 383 B12R1.477 COC(=O)OCSc1c[nH]cn1 62a_100000756875_100000139417 [0,1,0,0,0,1|1,0,1]=4 384 B12R1.477 O=C(CO)NCCc1c[nH]cn1 527a_100000755092_100000210174 [0,1,0,0,0,1|0,0,2]=4 385 B12R1.26 CCC(=O)C=Cc1ncn(n1)C 6a_100010630104_100000211110 [0,2,0,0,0,0|2,0,0]=4 386 B12R1.26 COC(=O)/C=C/c1ccc(o1)O 271570a_203496583355_100000150861 [0,2,0,0,0,0|2,0,0]=4 387 B12R1.26 COC(=O)CSc1c[nH]c(n1)C 62a_100000747449_100009814057 [0,2,0,0,0,0|1,0,1]=4 388 B12R1.26 COC(=O)CSc1c[nH]c(n1)C 62a_100009814057_100000747449 [0,2,0,0,0,0|1,0,1]=4 389 B12R1.26 COC(=O)CSc1cn(cn1)C 62a_100000040308_100000747449 [0,2,0,0,0,0|1,0,1]=4 390 B12R1.26 COC(=O)CSc1cn(cn1)C 62a_100000747449_100000040308 [0,2,0,0,0,0|1,0,1]=4 391 B12R1.26 Cn1cnc(c1)CNC(=O)CO 240690a_100011834058_100000210174 [0,2,0,0,0,0|1,0,1]=4 392 B12R1.26 Cn1cnc(c1)CNC(=O)CO 527a_100011834058_100000210174 [0,2,0,0,0,0|1,0,1]=4 393 B12R1.26 Cn1cnc(n1)C=CC(=O)CBr 6a_100010630104_100009888967 [0,2,0,0,0,0|2,0,0]=4 394 B12R1.26 Cn1cnc(n1)C=CC(=O)CCl 6a_100010630104_100000086384 [0,2,0,0,0,0|2,0,0]=4 395 B12R1.26 Cn1cnc(n1)C=CC(=O)CF 6a_100010630104_100000764096 [0,2,0,0,0,0|2,0,0]=4 396 B12R1.51 C#CCC(=O)C=Cc1c[nH]cn1 1458a_100102678534_100000184674 [0,2,0,0,0,0|1,0,0]=3 397 B12R1.51 C#CCC(=O)C=Cc1cscn1 1458a_200000747928_100000184674 [0,2,0,0,0,0|2,0,0]=4 398 B12R1.51 C=CCC(=O)C=Cc1c[nH]cn1 1458a_100102678534_100000210623 [0,2,0,0,0,0|1,0,0]=3 399 B12R1.51 C=CCC(=O)C=Cc1cscn1 1458a_200000747928_100000210623 [0,2,0,0,0,0|2,0,0]=4 400 B12R1.51 C=COC(=O)CSc1c[nH]cn1 62a_100000036128_100000756875 [0,2,0,0,0,0|1,0,1]=4 401 B12R1.51 C=COC(=O)CSc1c[nH]cn1 62a_100000756875_100000036128 [0,2,0,0,0,0|1,0,1]=4 402 B12R1.51 CCCC(=O)C=Cc1c[nH]cn1 1458a_100102678534_100000210303 [0,2,0,0,0,0|1,0,0]=3 403 B12R1.51 CCCC(=O)C=Cc1cscn1 1458a_200000747928_100000210303 [0,2,0,0,0,0|2,0,0]=4 404 B12R1.51 CCNC(=O)C=Cc1c[nH]cn1 240690a_100015525214_100102678534 [0,2,0,0,0,0|1,0,0]=3 405 B12R1.51 CCNC(=O)C=Cc1cscn1 11a_100015525214_200000747928 [0,2,0,0,0,0|2,0,0]=4 406 B12R1.51 CCNC(=O)C=Cc1cscn1 240690a_100015525214_200000747928 [0,2,0,0,0,0|2,0,0]=4 407 B12R1.51 CCOC(=O)C=Cc1c[nH]cn1 271570a_100010199719_100000756875 [0,2,0,0,0,0|0,0,0]=2 408 B12R1.51 CCOC(=O)C=Cc1cc[nH]n1 271570a_100010199719_100000062575 [0,2,0,0,0,0|2,0,0]=4 409 B12R1.51 CCOC(=O)C=Cc1ccco1 271570a_100010199719_100009814098 [0,2,0,0,0,0|2,0,0]=4 410 B12R1.51 CCOC(=O)C=Cc1cccs1 271570a_100010199719_100011215356 [0,2,0,0,0,0|2,0,0]=4 411 B12R1.51 CCOC(=O)C=Cc1ccoc1 271570a_100010199719_100011215275 [0,2,0,0,0,0|2,0,0]=4 412 B12R1.51 CCOC(=O)C=Cc1ccsc1 271570a_100010199719_100000738268 [0,2,0,0,0,0|2,0,0]=4 413 B12R1.51 CCOC(=O)C=Cc1ccsn1 271570a_100010199719_100009818082 [0,2,0,0,0,0|2,0,0]=4 414 B12R1.51 CCOC(=O)C=Cc1cn[nH]c1 271570a_100010199719_100000238712 [0,2,0,0,0,0|2,0,0]=4 415 B12R1.51 CCOC(=O)C=Cc1cnco1 271570a_100010199719_100020591547 [0,2,0,0,0,0|1,0,1]=4 416 B12R1.51 CCOC(=O)C=Cc1cncs1 271570a_100010199719_100011934649 [0,2,0,0,0,0|1,0,1]=4 417 B12R1.51 CCOC(=O)C=Cc1cscn1 271570a_100010199719_100000751502 [0,2,0,0,0,0|1,0,0]=3 418 B12R1.51 CCOC(=O)C=Cc1nc[nH]n1 271570a_100010199719_100000761765 [0,2,0,0,0,0|1,0,0]=3 419 B12R1.51 CCOC(=O)C=Cc1ncc[nH]1 271570a_100010199719_100025796157 [0,2,0,0,0,0|2,0,0]=4 420 B12R1.51 CCOC(=O)C=Cc1ncco1 271570a_100010199719_100011787736 [0,2,0,0,0,0|2,0,0]=4 421 B12R1.51 CCOC(=O)C=Cc1nccs1 271570a_100010199719_100000211983 [0,2,0,0,0,0|2,0,0]=4 422 B12R1.51 CCOC(=O)C=Cc1ncns1 271570a_100010199719_100000693119 [0,2,0,0,0,0|1,0,1]=4 423 B12R1.51 CCOC(=O)CSc1c[nH]cn1 62a_100000188475_100000756875 [0,2,0,0,0,0|1,0,1]=4 424 B12R1.51 CCOC(=O)CSc1c[nH]cn1 62a_100000756875_100000188475 [0,2,0,0,0,0|1,0,1]=4 425 B12R1.51 CNNC(=O)C=Cc1c[nH]cn1 22a_100016993582_100102678534 [0,2,0,0,0,0|1,0,0]=3 426 B12R1.51 CNNC(=O)C=Cc1cscn1 22a_100016993582_200000747928 [0,2,0,0,0,0|2,0,0]=4 427 B12R1.51 COCC(=O)C=Cc1nccs1 6a_100000750902_100000211753 [0,2,0,0,0,0|2,0,0]=4 428 B12R1.51 COCC(=O)CCc1c[nH]cn1 1458a_100000210968_100020628418 [0,2,0,0,0,0|0,0,2]=4 429 B12R1.51 COCC(=O)NCc1c[nH]cn1 11a_100000758547_100000210968 [0,2,0,0,0,0|1,0,1]=4 430 B12R1.51 COCC(=O)NCc1c[nH]cn1 240690a_100000758547_100000210968 [0,2,0,0,0,0|1,0,1]=4 431 B12R1.51 COCC(=O)NCc1c[nH]cn1 527a_100000758547_100000210968 [0,2,0,0,0,0|1,0,1]=4 432 B12R1.51 N#CCC(=O)C=Cc1c[nH]cn1 1458a_100102678534_100011214920 [0,2,0,0,0,0|1,0,0]=3 433 B12R1.51 N#CCC(=O)C=Cc1cscn1 1458a_200000747928_100011214920 [0,2,0,0,0,0|2,0,0]=4 434 B12R1.51 O=C(C=Cc1c[nH]cn1)CCF 1458a_100102678534_100011217306 [0,2,0,0,0,0|1,0,0]=3 435 B12R1.51 O=C(C=Cc1c[nH]cn1)CCO 1458a_100102678534_100000211926 [0,2,0,0,0,0|0,0,0]=2 436 B12R1.51 O=C(C=Cc1cccs1)CCO 1458a_100000182767_100000211926 [0,2,0,0,0,0|2,0,0]=4 437 B12R1.51 O=C(C=Cc1ccoc1)CCO 1458a_100000238621_100000211926 [0,2,0,0,0,0|2,0,0]=4 438 B12R1.51 O=C(C=Cc1ccsc1)CCO 1458a_100000698588_100000211926 [0,2,0,0,0,0|2,0,0]=4 439 B12R1.51 O=C(C=Cc1cscn1)CCF 1458a_200000747928_100011217306 [0,2,0,0,0,0|2,0,0]=4 440 B12R1.51 O=C(C=Cc1cscn1)CCO 1458a_200000747928_100000211926 [0,2,0,0,0,0|1,0,0]=3 441 B12R1.51 O=C(C=Cc1nccs1)CCO 1458a_100102558208_100000211926 [0,2,0,0,0,0|2,0,0]=4 442 B12R1.51 O=C(CCO)CCc1c[nH]cn1 1458a_100011216618_100020628418 [0,2,0,0,0,0|0,0,2]=4 443 B12R1.51 O=C(CCO)NCc1c[nH]cn1 240690a_100000758547_100011216618 [0,2,0,0,0,0|1,0,1]=4 444 B12R1.51 O=C(CSc1c[nH]cn1)NCO 62a_100000185155_100000756875 [0,2,0,0,0,0|1,0,1]=4 445 B12R1.51 O=C(CSc1c[nH]cn1)NCO 62a_100000756875_100000185155 [0,2,0,0,0,0|1,0,1]=4 446 B12R1.108 CNC(=O)C(=O)Cc1c[nH]cn1 1458a_100011218921_100000707719 [0,2,0,0,0,0|1,0,1]=4 447 B12R1.108 COC(=O)C(C)Sc1c[nH]cn1 62a_100000211248_100000756875 [0,2,0,0,0,0|1,0,1]=4 448 B12R1.108 COC(=O)C(C)Sc1c[nH]cn1 62a_100000756875_100000211248 [0,2,0,0,0,0|1,0,1]=4 449 B12R1.353 COC(=O)CSc1nc[nH]c1C 62a_100000747449_100010186451 [0,2,0,0,0,0|1,0,1]=4 450 B12R1.353 COC(=O)CSc1nc[nH]c1C 62a_100010186451_100000747449 [0,2,0,0,0,0|1,0,1]=4 451 B12R1.59 CCn1cnc(c1)C=CC(C)O 271570a_200011019289_100010368372 [0,2,0,0,0,0|1,0,1]=4 452 B12R1.110 CC(O)C=Cc1cn(c(n1)N)C 271570a_200011019289_100025756272 [0,2,0,0,0,0|1,0,1]=4 453 B12R1.110 Cc1nc(cn1C)C=CC(C)O 271570a_200011019289_100000684932 [0,2,0,0,0,0|1,0,1]=4 454 B12R1.836 Cc1nc(c[nH]1)C=CC(C)(C)O 271570a_200016258132_100009814057 [0,2,0,0,0,0|1,0,1]=4 455 B12R1.836 Cn1cnc(c1)C=CC(C)(C)O 271570a_200016258132_100000040308 [0,2,0,0,0,0|1,0,1]=4 456 B12R1.129 Cc1[nH]cnc1C=CC(C)(C)O 271570a_200016258132_100009816806 [0,2,0,0,0,0|1,0,1]=4 457 B10R1.25 C=Cc1ccc(=O)[nH]c1N 271570a_100011290941_100009884077 [0,0,1,1,0,0|2,0,0]=4 458 B10R1.25 C=Cc1ccc(cc1N)O 271570a_100011290941_100011999798 [0,0,1,1,0,0|2,0,0]=4 459 B10R1.31 C=Cc1c[nH]c(c1)C(=O)N 271570a_100011290941_100000229580 [0,0,1,1,0,0|2,0,0]=4 460 B10R1.1 C=C=Cc1ccc(=O)[nH]n1 271570a_100015277604_100009820020 [0,0,1,1,0,0|2,0,0]=4 461 B10R1.1 C=C=Cc1ccc(cn1)O 271570a_100015277604_100000685995 [0,0,1,1,0,0|2,0,0]=4 462 B12R2.24 Oc1ccc2cccnc2c1 271570a_203496583355_100009816655 [0,0,0,1,0,1|2,0,0]=4 463 B12R2.24 Oc1ccc2cccnc2n1 271570a_203496583355_100009888989 [0,0,0,1,0,1|2,0,0]=4 464 B12R2.24 Oc1ccc2cnccc2c1 271570a_203496583355_100009816743 [0,0,0,1,0,1|2,0,0]=4 465 B12R2.24 Oc1ccc2cncnc2c1 271570a_203496583355_100010185614 [0,0,0,1,0,1|1,0,1]=4 466 B12R2.24 Oc1ccc2ncccc2c1 271570a_203496583355_100000754243 [0,0,0,1,0,1|2,0,0]=4 467 B12R2.24 Oc1ccc2ncccc2n1 271570a_203496583355_100000073381 [0,0,0,1,0,1|2,0,0]=4 468 B12R2.24 Oc1ccc2nccnc2c1 271570a_203496583355_100011219451 [0,0,0,1,0,1|1,0,1]=4 469 B12R2.24 Oc1ccc2nccnc2n1 271570a_203496583355_100012351543 [0,0,0,1,0,1|1,0,1]=4 470 B12R2.24 Oc1ccc2ncncc2c1 271570a_203496583355_100009989443 [0,0,0,1,0,1|1,0,1]=4 471 B12R2.24 Oc1ccc2nnccc2c1 271570a_203496583355_100010209549 [0,0,0,1,0,1|2,0,0]=4 472 B12R2.6 Cc1cc(cs1)c2c[nH]cn2 271570a_100000699828_100000756875 [0,0,0,1,0,1|2,0,0]=4 473 B12R2.6 Cc1ccc(o1)c2c[nH]cn2 271570a_100000061910_100000756875 [0,0,0,1,0,1|1,0,0]=3 474 B12R2.6 Cc1ccc(o1)c2cscn2 271570a_100000061910_100000751502 [0,0,0,1,0,1|2,0,0]=4 475 B12R2.6 Cc1ccc(o1)c2nc[nH]n2 271570a_100000061910_100000761765 [0,0,0,1,0,1|2,0,0]=4 476 B12R2.6 Cc1ccc(s1)c2c[nH]cn2 271570a_100011934456_100000756875 [0,0,0,1,0,1|1,1,0]=4 477 B12R2.6 Cc1csc(c1)c2c[nH]cn2 271570a_100000038307_100000756875 [0,0,0,1,0,1|2,0,0]=4 478 B12R2.6 Cc1ncc(s1)c2c[nH]cn2 271570a_100000696845_100000756875 [0,0,0,1,0,1|1,1,0]=4 479 B12R2.6 Clc1ccc(s1)c2c[nH]cn2 271570a_100000708867_100000756875 [0,0,0,1,0,1|1,1,0]=4 480 B12R2.6 O=C1C=C(CC1)c2c[nH]cn2 271570a_100010737933_100000756875 [0,0,0,1,0,1|1,0,1]=4 481 B12R2.44 C=Cc1ccc2nc[nH]c2n1 271570a_100011290941_100000077665 [0,1,0,1,0,0|2,0,0]=4 482 B12R2.44 COc1ccc2cc[nH]c2c1 34a_100000036713_200000210301 [0,1,0,1,0,0|2,0,0]=4 483 B12R2.44 COc1ccc2ncsc2c1 34a_100011995850_200000210301 [0,1,0,1,0,0|2,0,0]=4 484 B12R2.44 COc1ccc2ncsc2c1 7a_100011995850_200000210301 [0,1,0,1,0,0|2,0,0]=4 485 B12R2.44 CSc1ccc2nc[nH]c2n1 62a_100009820032_200000210301 [0,1,0,1,0,0|1,1,0]=4 486 B12R2.44 CSc1ccc2nc[nH]c2n1 62a_200000210301_100000077665 [0,1,0,1,0,0|1,1,0]=4 487 B12R2.44 [13CH3]Oc1ccc2cc[nH]c2c1 34a_100000036713_200025704644 [0,1,0,1,0,0|2,0,0]=4 488 B12R2.44 [13CH3]Oc1ccc2ncsc2c1 34a_100011995850_200025704644 [0,1,0,1,0,0|2,0,0]=4 489 B12R2.44 [13CH3]Oc1ccc2ncsc2c1 7a_100011995850_200025704644 [0,1,0,1,0,0|2,0,0]=4 490 B12R2.44 [13CH3]Sc1ccc2nc[nH]c2n1 62a_100009820032_200025704644 [0,1,0,1,0,0|1,1,0]=4 491 B12R2.44 [13CH3]Sc1ccc2nc[nH]c2n1 62a_200025704644_100000077665 [0,1,0,1,0,0|1,1,0]=4 492 B12R2.82 Cc1c(ccc2c1[nH]cc2)O 271570a_203496583355_100009816929 [0,1,0,1,0,0|2,0,0]=4 493 B12R2.82 Cc1c(cnc2c1[nH]cn2)O 271570a_203496583355_100010140963 [0,1,0,1,0,0|2,0,0]=4 494 B12R2.82 Cc1ccc2cc[nH]c2c1O 271570a_203496583355_100010717004 [0,1,0,1,0,0|2,0,0]=4 495 B12R2.82 Nc1c(ccc2c1scn2)O 271570a_203496583355_100010998030 [0,1,0,1,0,0|2,0,0]=4 496 B12R2.82 Nc1ccc2ncsc2c1O 271570a_203496583355_100010007894 [0,1,0,1,0,0|2,0,0]=4 497 B12R2.82 Oc1c(ccc2c1ocn2)F 271570a_203496583355_100010870391 [0,1,0,1,0,0|2,0,0]=4 498 B12R2.100 Cc1cc2cc[nH]c2cc1O 271570a_203496583355_100010199660 [0,1,0,1,0,0|2,0,0]=4 499 B12R2.100 Cc1cc2nc[nH]c2cc1O 271570a_203496583355_200010107306 [0,1,0,1,0,0|1,0,0]=3 500 B12R2.100 Cc1cc2nn[nH]c2cc1O 271570a_203496583355_100010721108 [0,1,0,1,0,0|2,0,0]=4 501 B12R2.100 Cc1nc2[nH]cnc2cc1O 271570a_203496583355_100000689652 [0,1,0,1,0,0|2,0,0]=4 502 B12R2.100 Nc1cc2[nH]cnc2cc1O 271570a_203496583355_200010336578 [0,1,0,1,0,0|2,0,0]=4 503 B12R2.100 Oc1cc2[nH]ccc2cc1Br 271570a_203496583355_100000703010 [0,1,0,1,0,0|2,0,0]=4 504 B12R2.100 Oc1cc2[nH]ccc2cc1F 271570a_203496583355_100009817181 [0,1,0,1,0,0|2,0,0]=4 505 B12R2.100 Oc1cc2[nH]nnc2cc1F 271570a_203496583355_100010075030 [0,1,0,1,0,0|2,0,0]=4 506 B12R2.100 Oc1cc2nc[nH]c2cc1F 271570a_203496583355_100012361300 [0,1,0,1,0,0|2,0,0]=4 507 B12R2.132 Cn1ccc2c1cc(cc2)O 271570a_203496583355_100011934912 [0,1,0,1,0,0|2,0,0]=4 508 B12R2.132 Cn1cnc2c1cc(cc2)O 271570a_203496583355_100000702186 [0,1,0,1,0,0|1,0,0]=3 509 B12R2.132 Cn1cnc2c1cc(nc2)O 271570a_203496583355_100009863791 [0,1,0,1,0,0|2,0,0]=4 510 B12R2.132 Cn1cnc2c1nc(nc2)O 271570a_203496583355_100000085903 [0,1,0,1,0,0|2,0,0]=4 511 B12R2.132 Cn1nnc2c1cc(cc2)O 271570a_203496583355_100010241234 [0,1,0,1,0,0|2,0,0]=4 512 B12R2.606 Cc1cc2ccc(cc2[nH]1)O 271570a_203496583355_100010196937 [0,1,0,1,0,0|2,0,0]=4 513 B12R2.606 Cc1nc2ccc(cc2o1)O 271570a_203496583355_100010171164 [0,1,0,1,0,0|2,0,0]=4 514 B12R2.606 Cc1nc2ccc(cc2s1)O 271570a_203496583355_100009813144 [0,1,0,1,0,0|2,0,0]=4 515 B12R2.606 Cc1nc2ccc(nc2[nH]1)O 271570a_203496583355_100000079090 [0,1,0,1,0,0|1,0,0]=3 516 B12R2.606 Cc1nc2ncc(cc2[nH]1)O 271570a_203496583355_100000758206 [0,1,0,1,0,0|2,0,0]=4 517 B12R2.606 Nc1nc2ccc(cc2o1)O 271570a_203496583355_100010000678 [0,1,0,1,0,0|2,0,0]=4 518 B12R2.606 Nc1nc2ccc(cc2s1)O 271570a_203496583355_100102524914 [0,1,0,1,0,0|2,0,0]=4 519 B12R2.606 Nc1nc2ccc(nc2s1)O 271570a_203496583355_100000075896 [0,1,0,1,0,0|2,0,0]=4 520 B12R2.606 O=C1Cc2ccc(cc2N1)O 271570a_203496583355_100000760487 [0,1,0,1,0,0|2,0,0]=4 521 B12R2.606 O=C1Cc2ccc(nc2N1)O 271570a_203496583355_100000104062 [0,1,0,1,0,0|2,0,0]=4 522 B12R2.606 O=c1[nH]c2cc(ccc2o1)O 271570a_203496583355_100000764829 [0,1,0,1,0,0|2,0,0]=4 523 B12R2.606 O=c1[nH]c2cc(ccc2s1)O 271570a_203496583355_100000239354 [0,1,0,1,0,0|2,0,0]=4 524 B12R2.606 O=c1[nH]c2ccc(cc2[nH]1)O 271570a_203496583355_100011221360 [0,1,0,1,0,0|1,0,1]=4 525 B12R2.606 O=c1[nH]c2ccc(nc2[nH]1)O 271570a_203496583355_100000084209 [0,1,0,1,0,0|1,0,1]=4 526 B12R2.606 Oc1cc2[nH]c(nc2cn1)O 271570a_203496583355_100010516660 [0,1,0,1,0,0|2,0,0]=4 527 B12R2.606 Oc1ccc2nc(sc2c1)Cl 271570a_203496583355_100010163703 [0,1,0,1,0,0|2,0,0]=4 528 B12R2.606 Oc1ccc2nc(sc2c1)O 271570a_203496583355_100010063415 [0,1,0,1,0,0|2,0,0]=4 529 B12R2.246 Cc1cc(cc2c1nc[nH]2)O 271570a_203496583355_100000239325 [0,1,0,1,0,0|1,0,0]=3 530 B12R2.246 Nc1cc(cc2c1cc[nH]2)O 271570a_203496583355_106744500199 [0,1,0,1,0,0|2,0,0]=4 531 B12R2.246 Oc1cc(c2cc[nH]c2c1)Br 271570a_203496583355_100009814775 [0,1,0,1,0,0|2,0,0]=4 532 B12R2.246 Oc1cc(c2cc[nH]c2c1)F 271570a_203496583355_100010186028 [0,1,0,1,0,0|2,0,0]=4 533 B12R2.246 Oc1cc(cc2c1nc[nH]2)F 271570a_203496583355_100010192642 [0,1,0,1,0,0|2,0,0]=4 534 B12R2.612 Cc1c[nH]c2c1ccc(c2)O 271570a_203496583355_100010209589 [0,1,0,1,0,0|2,0,0]=4 535 B8R1.7 C=C(C)c1c[nH]cn1 271570a_100000694244_100000756875 [0,0,0,0,2,0|2,0,0]=4 536 B12R1.255 CC(=O)OCC=Cc1c[nH]cn1 271570a_200000047263_100000756875 [0,0,0,0,0,2|1,0,0]=3 537 B12R1.255 CC(=O)OCC=Cc1cscn1 271570a_200000047263_100000751502 [0,0,0,0,0,2|2,0,0]=4 538 B12R1.255 CC(=O)OCC=Cc1nc[nH]n1 271570a_200000047263_100000761765 [0,0,0,0,0,2|2,0,0]=4 539 B12R1.255 O=C(O)CNCCc1c[nH]cn1 269956a_100016091260_100020628418 [0,0,0,0,0,2|0,0,2]=4 540 B12R1.255 O=C(O)CONCc1c[nH]cn1 269956a_100000106656_100000707719 [0,0,0,0,0,2|0,0,2]=4 541 B12R1.255 OB(O)/C=C/CSc1c[nH]cn1 62a_100000756875_100016262062 [0,0,0,0,0,2|1,0,1]=4 542 B12R1.255 OB(O)/C=C/CSc1c[nH]cn1 62a_100016262062_100000756875 [0,0,0,0,0,2|1,0,1]=4