0 B15R2.60801 Cn1c(=O)c2[nH]c(nc2n(c1=O)C)O 271570a_203496583355_100000185366 [0,1,0,0,0,0|0,0,2]=3 1 B13R1.32 C=C=Cc1cc(=O)n(c(=O)n1C)C 271570a_100015277604_100000034780 [0,0,1,0,0,0|2,0,1]=4 2 B13R1.32 C=C=Cc1cn(c(=O)n(c1=O)C)C 271570a_100015277604_100011218054 [0,0,1,0,0,0|2,0,1]=4 3 B13R1.32 CC=Cc1cc(=O)n(c(=O)n1C)C 271570a_100016259895_100000034780 [0,0,1,0,0,0|2,0,0]=3 4 B13R1.32 CC=Cc1cn(c(=O)n(c1=O)C)C 271570a_100016259895_100011218054 [0,0,1,0,0,0|2,0,0]=3 5 B13R1.32 CC=Cc1nn(c(=O)n(c1=O)C)C 271570a_100016259895_100000195409 [0,0,1,0,0,0|3,0,0]=4 6 B13R1.32 CCNc1cc(=O)n(c(=O)n1C)C 27a_100015525214_100000034780 [0,0,1,0,0,0|1,0,1]=3 7 B13R1.32 CCOc1cn(c(=O)n(c1=O)C)C 7a_200000084095_100000210202 [0,0,1,0,0,0|2,0,1]=4 8 B13R1.32 CCSc1cc(=O)n(c(=O)n1C)C 62a_100000034780_100000210202 [0,0,1,0,0,0|2,0,1]=4 9 B13R1.32 CCSc1cc(=O)n(c(=O)n1C)C 62a_100000210202_100000034780 [0,0,1,0,0,0|2,0,1]=4 10 B13R1.32 CCSc1cn(c(=O)n(c1=O)C)C 62a_100000210202_100011218054 [0,0,1,0,0,0|2,0,1]=4 11 B13R1.32 CCSc1cn(c(=O)n(c1=O)C)C 62a_100011218054_100000210202 [0,0,1,0,0,0|2,0,1]=4 12 B13R1.32 CNCc1cc(=O)n(c(=O)n1C)C 2230a_100000241867_200000210301 [0,0,1,0,0,0|3,0,0]=4 13 B13R1.32 CNCc1cn(c(=O)n(c1=O)C)C 270004a_106832991635_100000240481 [0,0,1,0,0,0|3,0,0]=4 14 B13R1.32 Cn1c(cc(=O)n(c1=O)C)CN[13CH3] 2230a_100000241867_200025704644 [0,0,1,0,0,0|3,0,0]=4 15 B13R1.32 Cn1c(cc(=O)n(c1=O)C)SCF 62a_100000034780_100015361967 [0,0,1,0,0,0|2,0,1]=4 16 B13R1.32 Cn1c(cc(=O)n(c1=O)C)SCF 62a_100015361967_100000034780 [0,0,1,0,0,0|2,0,1]=4 17 B13R1.32 Cn1cc(c(=O)n(c1=O)C)OCF 7a_200000084095_100015361967 [0,0,1,0,0,0|2,0,1]=4 18 B13R1.32 Cn1cc(c(=O)n(c1=O)C)SCF 62a_100011218054_100015361967 [0,0,1,0,0,0|2,0,1]=4 19 B13R1.32 Cn1cc(c(=O)n(c1=O)C)SCF 62a_100015361967_100011218054 [0,0,1,0,0,0|2,0,1]=4 20 B13R1.3251 C=Cc1c(n(c(=O)n(c1=O)C)C)C 271570a_100011290941_200009812460 [0,0,1,0,0,0|2,0,0]=3 21 B13R1.3251 CSc1c(n(c(=O)n(c1=O)C)C)C 62a_200000210301_200009812460 [0,0,1,0,0,0|2,0,1]=4 22 B13R1.3251 CSc1c(n(c(=O)n(c1=O)C)C)C 62a_200009812460_200000210301 [0,0,1,0,0,0|2,0,1]=4 23 B13R1.3251 Cc1c(c(=O)n(c(=O)n1C)C)S[13CH3] 62a_200009812460_200025704644 [0,0,1,0,0,0|2,0,1]=4 24 B13R1.3251 Cc1c(c(=O)n(c(=O)n1C)C)S[13CH3] 62a_200025704644_200009812460 [0,0,1,0,0,0|2,0,1]=4 25 B13R1.3251 Cn1c(c(c(=O)n(c1=O)C)C#N)O 271570a_203496583355_100000021833 [0,0,1,0,0,0|3,0,0]=4 26 B13R1.3251 Cn1c(c(c(=O)n(c1=O)C)C=O)O 271570a_203496583355_100000045789 [0,0,1,0,0,0|3,0,0]=4 27 B12R1.14 C=Cc1cc(=O)n(c(=O)n1C)C 271570a_100011290941_100000034780 [1,0,1,0,0,0|1,0,0]=3 28 B12R1.14 C=Cc1cn(c(=O)n(c1=O)C)C 271570a_100011290941_100011218054 [1,0,1,0,0,0|1,0,0]=3 29 B12R1.14 C=Cc1nn(c(=O)n(c1=O)C)C 271570a_100011290941_100000195409 [1,0,1,0,0,0|2,0,0]=4 30 B12R1.14 CNc1cc(=O)n(c(=O)n1C)C 27a_100102657272_100000034780 [1,0,1,0,0,0|0,0,1]=3 31 B12R1.14 COc1cn(c(=O)n(c1=O)C)C 7a_200000084095_200000210301 [1,0,1,0,0,0|1,0,1]=4 32 B12R1.14 CSc1cc(=O)n(c(=O)n1C)C 62a_100000034780_200000210301 [1,0,1,0,0,0|1,0,1]=4 33 B12R1.14 CSc1cc(=O)n(c(=O)n1C)C 62a_200000210301_100000034780 [1,0,1,0,0,0|1,0,1]=4 34 B12R1.14 CSc1cn(c(=O)n(c1=O)C)C 62a_100011218054_200000210301 [1,0,1,0,0,0|1,0,1]=4 35 B12R1.14 CSc1cn(c(=O)n(c1=O)C)C 62a_200000210301_100011218054 [1,0,1,0,0,0|1,0,1]=4 36 B12R1.14 Cn1c(cc(=O)n(c1=O)C)S[13CH3] 62a_100000034780_200025704644 [1,0,1,0,0,0|1,0,1]=4 37 B12R1.14 Cn1c(cc(=O)n(c1=O)C)S[13CH3] 62a_200025704644_100000034780 [1,0,1,0,0,0|1,0,1]=4 38 B12R1.14 Cn1cc(c(=O)n(c1=O)C)O[13CH3] 7a_200000084095_200025704644 [1,0,1,0,0,0|1,0,1]=4 39 B12R1.14 Cn1cc(c(=O)n(c1=O)C)S[13CH3] 62a_100011218054_200025704644 [1,0,1,0,0,0|1,0,1]=4 40 B12R1.14 Cn1cc(c(=O)n(c1=O)C)S[13CH3] 62a_200025704644_100011218054 [1,0,1,0,0,0|1,0,1]=4 41 B12R1.40 CC=Cc1cc(=O)[nH]c(=O)n1C 271570a_100016259895_100000093302 [1,0,1,0,0,0|2,0,0]=4 42 B12R1.40 CCNc1cc(=O)[nH]c(=O)n1C 27a_100015525214_100000093302 [1,0,1,0,0,0|1,0,1]=4 43 B12R1.44 CC=Cc1cc(=O)n(c(=O)[nH]1)C 271570a_100016259895_100000723047 [1,0,1,0,0,0|2,0,0]=4 44 B12R1.44 CCNc1cc(=O)n(c(=O)[nH]1)C 27a_100015525214_100000723047 [1,0,1,0,0,0|1,0,1]=4 45 B12R1.1123 CC=Cc1cn(c(=O)[nH]c1=O)C 271570a_100016259895_100000185368 [1,0,1,0,0,0|2,0,0]=4 46 B12R1.108 CNC(=O)C(C)Sc1c[nH]cn1 62a_100000209862_100000756875 [1,0,1,0,0,0|2,0,0]=4 47 B12R1.108 CNC(=O)C(C)Sc1c[nH]cn1 62a_100000756875_100000731044 [1,0,1,0,0,0|2,0,0]=4 48 B12R1.108 CNC(=O)N(C)Cc1cscn1 2708a_100102657272_100000225794 [1,0,1,0,0,0|1,0,1]=4 49 B12R1.108 CNC(=O)N(C)Cc1cscn1 273464a_100102657272_100000225794 [1,0,1,0,0,0|1,0,1]=4 50 B12R1.98 C=Cc1c(n(c(=O)[nH]c1=O)C)N 271570a_100011290941_100000184672 [1,0,1,0,0,0|1,0,0]=3 51 B12R1.98 CSc1c(n(c(=O)[nH]c1=O)C)N 62a_100000184672_200000210301 [1,0,1,0,0,0|1,0,1]=4 52 B12R1.98 CSc1c(n(c(=O)[nH]c1=O)C)N 62a_200000210301_100000184672 [1,0,1,0,0,0|1,0,1]=4 53 B12R1.98 Cn1c(c(c(=O)[nH]c1=O)S[13CH3])N 62a_100000184672_200025704644 [1,0,1,0,0,0|1,0,1]=4 54 B12R1.98 Cn1c(c(c(=O)[nH]c1=O)S[13CH3])N 62a_200025704644_100000184672 [1,0,1,0,0,0|1,0,1]=4 55 B12R1.3795 Cc1c(c(=O)n(c(=O)n1C)C)O 271570a_203496583355_200009812460 [1,0,1,0,0,0|1,0,1]=4 56 B14R1.136 C#CCNc1cc(=O)n(c(=O)n1C)C 27a_100000212058_100000034780 [0,1,1,0,0,0|1,0,1]=4 57 B14R1.136 C=CCNc1cc(=O)n(c(=O)n1C)C 27a_100020586998_100000034780 [0,1,1,0,0,0|1,0,0]=3 58 B14R1.136 C=CCOc1cn(c(=O)n(c1=O)C)C 7a_200000084095_100015514636 [0,1,1,0,0,0|2,0,0]=4 59 B14R1.136 C=CCSc1cc(=O)n(c(=O)n1C)C 62a_100000034780_100000210623 [0,1,1,0,0,0|2,0,0]=4 60 B14R1.136 C=CCSc1cc(=O)n(c(=O)n1C)C 62a_100000210623_100000034780 [0,1,1,0,0,0|2,0,0]=4 61 B14R1.136 C=CCSc1cn(c(=O)n(c1=O)C)C 62a_100000210623_100011218054 [0,1,1,0,0,0|2,0,0]=4 62 B14R1.136 C=CCSc1cn(c(=O)n(c1=O)C)C 62a_100011218054_100000210623 [0,1,1,0,0,0|2,0,0]=4 63 B14R1.136 CCNCc1cc(=O)n(c(=O)n1C)C 2230a_100000241867_100000210202 [0,1,1,0,0,0|1,0,1]=4 64 B14R1.136 Cn1c(cc(=O)n(c1=O)C)NCCO 27a_100000210304_100000034780 [0,1,1,0,0,0|1,0,1]=4 65 B14R1.136 Cn1c(cc(=O)n(c1=O)C)SCC=O 62a_100000034780_200015260668 [0,1,1,0,0,0|2,0,0]=4 66 B14R1.136 Cn1c(cc(=O)n(c1=O)C)SCC=O 62a_200015260668_100000034780 [0,1,1,0,0,0|2,0,0]=4 67 B14R1.136 Cn1cc(c(=O)n(c1=O)C)OCC=O 7a_200000084095_200015260668 [0,1,1,0,0,0|2,0,0]=4 68 B14R1.136 Cn1cc(c(=O)n(c1=O)C)SCC=O 62a_100011218054_200015260668 [0,1,1,0,0,0|2,0,0]=4 69 B14R1.136 Cn1cc(c(=O)n(c1=O)C)SCC=O 62a_200015260668_100011218054 [0,1,1,0,0,0|2,0,0]=4 70 B14R1.3149 CC(=Cc1cc(=O)n(c(=O)n1C)C)C 271570a_100102525489_100000034780 [0,1,1,0,0,0|2,0,0]=4 71 B14R1.3149 CC(=Cc1cn(c(=O)n(c1=O)C)C)C 271570a_100102525489_100011218054 [0,1,1,0,0,0|2,0,0]=4 72 B14R1.3149 CC(C)Nc1cc(=O)n(c(=O)n1C)C 27a_100138425928_100000034780 [0,1,1,0,0,0|1,0,1]=4 73 B14R1.5287 CC=Cc1c(n(c(=O)n(c1=O)C)C)C 271570a_100016259895_200009812460 [0,1,1,0,0,0|2,0,0]=4 74 B14R1.3941 C=Cc1c(c(=O)n(c(=O)n1C)C)C#N 271570a_100011290941_100000021833 [0,1,1,0,0,0|1,0,1]=4 75 B14R1.3941 C=Cc1c(c(=O)n(c(=O)n1C)C)C=O 271570a_100011290941_100000045789 [0,1,1,0,0,0|2,0,0]=4 76 B14R1.3941 CNc1c(c(=O)n(c(=O)n1C)C)C#N 27a_100102657272_100000021833 [0,1,1,0,0,0|0,0,2]=4 77 B14R1.27331 C=C(C)c1c(n(c(=O)n(c1=O)C)C)C 271570a_100000694244_200009812460 [0,1,1,0,0,0|2,0,0]=4 78 B14R2.9026 Cn1c(=O)[nH]c(=O)c2c1nc([nH]2)O 271570a_203496583355_100000239299 [1,1,0,0,0,0|0,0,2]=4 79 B16R2.187637 C=Cc1nc2c([nH]1)c(=O)n(c(=O)n2C)C 271570a_100011290941_100000185366 [0,2,0,0,0,0|0,0,2]=4 80 B16R2.187637 CNc1nc2c([nH]1)c(=O)n(c(=O)n2C)C 27a_100102657272_100000185366 [0,2,0,0,0,0|0,0,2]=4 81 B16R2.187637 CSc1nc2c([nH]1)c(=O)n(c(=O)n2C)C 62a_200000210301_100000185366 [0,2,0,0,0,0|0,0,2]=4 82 B16R2.187637 Cn1c(=O)c2[nH]c(nc2n(c1=O)C)S[13CH3] 62a_200025704644_100000185366 [0,2,0,0,0,0|0,0,2]=4 83 B14R1.721 CNC(=O)CN(C)C(=O)c1ccco1 11a_106832991635_100000194967 [0,0,1,0,0,1|2,0,0]=4 84 B14R1.721 CNC(=O)CN(C)C(=O)c1ccco1 1626a_100102657272_100000194967 [0,0,1,0,0,1|2,0,0]=4 85 B14R1.721 CNC(=O)CN(C)C(=O)c1ccco1 240690a_100102657272_100000194967 [0,0,1,0,0,1|2,0,0]=4 86 B14R1.721 CNC(=O)CN(C)C(=O)c1ccco1 527a_100102657272_100000194967 [0,0,1,0,0,1|2,0,0]=4 87 B14R1.737 CCC(=O)C(C)C(=O)Cc1c[nH]cn1 1458a_100015291406_100000742827 [0,0,1,0,0,1|2,0,0]=4 88 B14R1.737 CNC(=O)C(C)C(=O)Cc1c[nH]cn1 1458a_100015291406_100000209862 [0,0,1,0,0,1|1,0,0]=3 89 B14R1.737 CNC(=O)C(C)C(=O)Cc1cscn1 1458a_100011438297_100000209862 [0,0,1,0,0,1|2,0,0]=4 90 B14R1.737 CNC(=O)C(F)C(=O)Cc1c[nH]cn1 1458a_100015291406_100009813575 [0,0,1,0,0,1|2,0,0]=4 91 B14R1.737 COC(=O)C(C)C(=O)Cc1c[nH]cn1 1458a_100012027023_100000707719 [0,0,1,0,0,1|2,0,0]=4 92 B14R1.737 COC(=O)C(C)C(=O)Cc1c[nH]cn1 1458a_100015291406_100000211248 [0,0,1,0,0,1|2,0,0]=4 93 B14R1.851 CCC(=O)C(C)Sc1[nH]cnc1C=O 62a_100000742827_100015192532 [0,0,1,0,0,1|2,0,0]=4 94 B14R1.851 CCC(=O)C(C)Sc1[nH]cnc1C=O 62a_100015192532_100000742827 [0,0,1,0,0,1|2,0,0]=4 95 B14R1.851 CNC(=O)C(C)Sc1[nH]cnc1C=O 62a_100000209862_100015192532 [0,0,1,0,0,1|1,0,0]=3 96 B14R1.851 CNC(=O)C(C)Sc1[nH]cnc1C=O 62a_100015192532_100000731044 [0,0,1,0,0,1|1,0,0]=3 97 B14R1.851 CNC(=O)C(F)Sc1[nH]cnc1C=O 62a_100009813575_100015192532 [0,0,1,0,0,1|2,0,0]=4 98 B14R1.851 CNC(=O)C(F)Sc1[nH]cnc1C=O 62a_100015192532_100009813575 [0,0,1,0,0,1|2,0,0]=4 99 B14R1.851 COC(=O)C(C)Sc1[nH]cnc1C=O 62a_100000211248_100015192532 [0,0,1,0,0,1|2,0,0]=4 100 B14R1.851 COC(=O)C(C)Sc1[nH]cnc1C=O 62a_100015192532_100000211248 [0,0,1,0,0,1|2,0,0]=4