0 B18R2.67047 CC(=O)c1ccc(cc1OCC2=NCCN2)Br 7a_100000188348_100000737910 [0,0,0,0,0,0|2,0,1]=3 1 B18R2.67047 CC(=O)c1ccc(cc1OCC2=NCCN2)C 34a_100000234885_100000737910 [0,0,0,0,0,0|1,0,1]=2 2 B18R2.67047 CC(=O)c1ccc(cc1OCC2=NCCN2)C 7a_100000234885_100000737910 [0,0,0,0,0,0|1,0,1]=2 3 B18R2.67047 CC(=O)c1ccc(cc1OCC2=NCCN2)Cl 34a_100000061402_100000737910 [0,0,0,0,0,0|2,0,1]=3 4 B18R2.67047 CC(=O)c1ccc(cc1OCC2=NCCN2)Cl 7a_100000061402_100000737910 [0,0,0,0,0,0|2,0,1]=3 5 B18R2.67047 CC(=O)c1ccc(cc1OCC2=NCCN2)F 7a_100011215782_100000737910 [0,0,0,0,0,0|2,0,1]=3 6 B18R2.67047 CC(=O)c1ccc(cc1OCc2ncc[nH]2)C 34a_100000234885_100016991755 [0,0,0,0,0,0|1,0,3]=4 7 B18R2.67047 CC(=O)c1ccc(cc1OCc2ncc[nH]2)C 7a_100000234885_100000753453 [0,0,0,0,0,0|1,0,3]=4 8 B18R2.67047 CC(=O)c1ccc(cc1OCc2nnn[nH]2)C 34a_100000234885_100000765167 [0,0,0,0,0,0|3,0,1]=4 9 B18R2.67047 CC(=O)c1ccc(cc1OCc2nnn[nH]2)C 7a_100000234885_100000765167 [0,0,0,0,0,0|3,0,1]=4 10 B18R2.67047 CC(=O)c1ccc(cc1SCC2=NCCN2)C 62a_100000737910_100012353930 [0,0,0,0,0,0|1,1,1]=3 11 B18R2.67047 CC(=O)c1ccc(cc1SCC2=NCCN2)C 62a_100012353930_100000737910 [0,0,0,0,0,0|1,1,1]=3 12 B18R2.67047 CC(=O)c1ccc(cc1SCC2=NCCN2)F 62a_100000686192_100000737910 [0,0,0,0,0,0|2,1,1]=4 13 B18R2.67047 CC(=O)c1ccc(cc1SCC2=NCCN2)O 62a_100012340537_100000737910 [0,0,0,0,0,0|2,1,1]=4 14 B18R2.67047 CC(C)c1ccc(cc1NCC2=NCCN2)F 34a_100012283353_100000737910 [0,0,0,0,0,0|2,0,0]=2 15 B18R2.67047 CC(C)c1ccc(cc1NCC2=NCCN2)F 7a_100012283353_100000737910 [0,0,0,0,0,0|2,0,0]=2 16 B18R2.67047 CC(C)c1ccc(cc1NCc2ncc[nH]2)F 207a_100012283353_100000743867 [0,0,0,0,0,0|2,0,2]=4 17 B18R2.67047 CC(C)c1ccc(cc1NCc2ncc[nH]2)F 2230a_100012283353_100016991755 [0,0,0,0,0,0|2,0,2]=4 18 B18R2.67047 CC(C)c1ccc(cc1NCc2ncc[nH]2)F 34a_100012283353_100016991755 [0,0,0,0,0,0|2,0,2]=4 19 B18R2.67047 CC(C)c1ccc(cc1NCc2ncc[nH]2)F 7a_100012283353_100000753453 [0,0,0,0,0,0|2,0,2]=4 20 B18R2.67047 CC(C)c1ccc(cc1NCc2nnn[nH]2)F 34a_100012283353_100000765167 [0,0,0,0,0,0|4,0,0]=4 21 B18R2.67047 CC(C)c1ccc(cc1NCc2nnn[nH]2)F 7a_100012283353_100000765167 [0,0,0,0,0,0|4,0,0]=4 22 B18R2.67047 CN(C)c1ccc(cc1SCC2=NCCN2)F 62a_100000737910_100012349029 [0,0,0,0,0,0|2,1,0]=3 23 B18R2.67047 CN(C)c1ccc(cc1SCC2=NCCN2)F 62a_100012349029_100000737910 [0,0,0,0,0,0|2,1,0]=3 24 B18R2.67047 CN(C)c1ccc(cc1SCC2=NCCN2)N 62a_100000737910_100011534197 [0,0,0,0,0,0|2,1,0]=3 25 B18R2.67047 CN(C)c1ccc(cc1SCC2=NCCN2)N 62a_100011534197_100000737910 [0,0,0,0,0,0|2,1,0]=3 26 B18R2.67047 CN(C)c1ncc(cc1SCC2=NCCN2)N 62a_100000737910_200012353320 [0,0,0,0,0,0|3,1,0]=4 27 B18R2.67047 CN(C)c1ncc(cc1SCC2=NCCN2)N 62a_200012353320_100000737910 [0,0,0,0,0,0|3,1,0]=4 28 B18R2.67047 C[C@@H](N)c1ccc(cc1SCC2=NCCN2)F 62a_100000737910_100025704064 [0,0,0,0,0,0|2,1,0]=3 29 B18R2.67047 C[C@@H](N)c1ccc(cc1SCC2=NCCN2)F 62a_100025704064_100000737910 [0,0,0,0,0,0|2,1,0]=3 30 B18R2.67047 Cc1ccc(c(c1)NCC2=NCCN2)C(=O)N 34a_100011219537_100000737910 [0,0,0,0,0,0|3,0,1]=4 31 B18R2.67047 Cc1ccc(c(c1)NCC2=NCCN2)C(=O)N 7a_100011219537_100000737910 [0,0,0,0,0,0|3,0,1]=4 32 B18R2.67047 Cc1ccc(c(c1)NCc2ncc[nH]2)N(C)C 207a_100015186467_100000743867 [0,0,0,0,0,0|2,0,2]=4 33 B18R2.67047 Cc1ccc(c(c1)OCC2=NCCN2)C(=O)N 34a_100000192831_100000737910 [0,0,0,0,0,0|2,0,1]=3 34 B18R2.67047 Cc1ccc(c(c1)OCC2=NCCN2)C(=O)N 7a_100000192831_100000737910 [0,0,0,0,0,0|2,0,1]=3 35 B18R2.67047 Cc1ccc(c(c1)OCC2=NCCN2)C(C)C 34a_100000185798_100000737910 [0,0,0,0,0,0|0,0,0]=0 36 B18R2.67047 Cc1ccc(c(c1)OCC2=NCCN2)C(C)C 7a_100000185798_100000737910 [0,0,0,0,0,0|0,0,0]=0 37 B18R2.67047 Cc1ccc(c(c1)OCC2=NCCN2)[N+](=O)[O-] 34a_100000195450_100000737910 [0,0,0,0,0,0|3,0,0]=3 38 B18R2.67047 Cc1ccc(c(c1)OCC2=NCCN2)[N+](=O)[O-] 7a_100000195450_100000737910 [0,0,0,0,0,0|3,0,0]=3 39 B18R2.67047 Cc1ccc(c(c1)OCC2CCCC2)C(C)C 34a_100000185798_100000740388 [0,0,0,0,0,0|2,0,1]=3 40 B18R2.67047 Cc1ccc(c(c1)OCC2CCCC2)C(C)C 7a_100000185798_100000740388 [0,0,0,0,0,0|2,0,1]=3 41 B18R2.67047 Cc1ccc(c(c1)OCC2CCCO2)C(C)C 7a_100000185798_100000203698 [0,0,0,0,0,0|2,0,1]=3 42 B18R2.67047 Cc1ccc(c(c1)OCC2CCOC2)C(C)C 34a_100000185798_100011261433 [0,0,0,0,0,0|3,0,1]=4 43 B18R2.67047 Cc1ccc(c(c1)OCC2CCOC2)C(C)C 7a_100000185798_100000702531 [0,0,0,0,0,0|3,0,1]=4 44 B18R2.67047 Cc1ccc(c(c1)OCC2OCCO2)C(C)C 34a_100000185798_100000755774 [0,0,0,0,0,0|2,0,1]=3 45 B18R2.67047 Cc1ccc(c(c1)OCC2OCCO2)C(C)C 7a_100000185798_100000755774 [0,0,0,0,0,0|2,0,1]=3 46 B18R2.67047 Cc1ccc(c(c1)OCc2c[nH]cn2)C(C)C 34a_100000185798_100000707719 [0,0,0,0,0,0|2,0,1]=3 47 B18R2.67047 Cc1ccc(c(c1)OCc2ccn[nH]2)C(C)C 34a_100000185798_100000728653 [0,0,0,0,0,0|2,0,1]=3 48 B18R2.67047 Cc1ccc(c(c1)OCc2ccn[nH]2)C(C)C 7a_100000185798_100000728653 [0,0,0,0,0,0|2,0,1]=3 49 B18R2.67047 Cc1ccc(c(c1)OCc2ccon2)C(C)C 34a_100000185798_100000234950 [0,0,0,0,0,0|2,0,1]=3 50 B18R2.67047 Cc1ccc(c(c1)OCc2ccon2)C(C)C 7a_100000185798_100000234950 [0,0,0,0,0,0|2,0,1]=3 51 B18R2.67047 Cc1ccc(c(c1)OCc2ccsc2)C(C)C 34a_100000185798_100011261437 [0,0,0,0,0,0|3,0,1]=4 52 B18R2.67047 Cc1ccc(c(c1)OCc2ccsc2)C(C)C 7a_100000185798_100011261437 [0,0,0,0,0,0|3,0,1]=4 53 B18R2.67047 Cc1ccc(c(c1)OCc2cncs2)C(C)C 34a_100000185798_100015185245 [0,0,0,0,0,0|3,0,1]=4 54 B18R2.67047 Cc1ccc(c(c1)OCc2cncs2)C(C)C 7a_100000185798_100015185245 [0,0,0,0,0,0|3,0,1]=4 55 B18R2.67047 Cc1ccc(c(c1)OCc2cscn2)C(C)C 34a_100000185798_100000205941 [0,0,0,0,0,0|2,0,1]=3 56 B18R2.67047 Cc1ccc(c(c1)OCc2cscn2)C(C)C 7a_100000185798_100000205941 [0,0,0,0,0,0|2,0,1]=3 57 B18R2.67047 Cc1ccc(c(c1)OCc2ncc[nH]2)C(C)C 34a_100000185798_100016991755 [0,0,0,0,0,0|0,0,2]=2 58 B18R2.67047 Cc1ccc(c(c1)OCc2ncc[nH]2)C(C)C 7a_100000185798_100000753453 [0,0,0,0,0,0|0,0,2]=2 59 B18R2.67047 Cc1ccc(c(c1)OCc2ncco2)C(C)C 34a_100000185798_103436540062 [0,0,0,0,0,0|1,0,2]=3 60 B18R2.67047 Cc1ccc(c(c1)OCc2ncco2)C(C)C 7a_100000185798_103436540062 [0,0,0,0,0,0|1,0,2]=3 61 B18R2.67047 Cc1ccc(c(c1)OCc2nccs2)C(C)C 34a_100000185798_100015184050 [0,0,0,0,0,0|1,0,2]=3 62 B18R2.67047 Cc1ccc(c(c1)OCc2nccs2)C(C)C 7a_100000185798_100015184050 [0,0,0,0,0,0|1,0,2]=3 63 B18R2.67047 Cc1ccc(c(c1)OCc2ncon2)C(C)C 34a_100000185798_100000233494 [0,0,0,0,0,0|1,0,2]=3 64 B18R2.67047 Cc1ccc(c(c1)OCc2nnn[nH]2)C(C)C 34a_100000185798_100000765167 [0,0,0,0,0,0|2,0,0]=2 65 B18R2.67047 Cc1ccc(c(c1)OCc2nnn[nH]2)C(C)C 7a_100000185798_100000765167 [0,0,0,0,0,0|2,0,0]=2 66 B18R2.67047 Cc1ccc(c(c1)OCn2cncn2)C(C)C 34a_100000185798_200020645497 [0,0,0,0,0,0|3,0,1]=4 67 B18R2.67047 Cc1ccc(c(c1)OCn2cncn2)C(C)C 7a_100000185798_200020645497 [0,0,0,0,0,0|3,0,1]=4 68 B18R2.67047 Cc1ccc(c(c1)SCC2=NCCN2)B(O)O 62a_100000737910_200011068827 [0,0,0,0,0,0|3,1,0]=4 69 B18R2.67047 Cc1ccc(c(c1)SCC2=NCCN2)B(O)O 62a_200011068827_100000737910 [0,0,0,0,0,0|3,1,0]=4 70 B18R2.67047 Cc1ccc(c(c1)SCC2=NCCN2)N(C)C 62a_100000737910_100012353700 [0,0,0,0,0,0|1,1,0]=2 71 B18R2.67047 Cc1ccc(c(c1)SCC2=NCCN2)N(C)C 62a_100012353700_100000737910 [0,0,0,0,0,0|1,1,0]=2 72 B18R2.67047 Cc1ccc(c(c1)SCc2ncc[nH]2)N(C)C 62a_100012353700_100016991755 [0,0,0,0,0,0|1,1,2]=4 73 B18R2.67047 Cc1ccc(c(c1)SCc2ncc[nH]2)N(C)C 62a_100016991755_100012353700 [0,0,0,0,0,0|1,1,2]=4 74 B18R2.67047 Cc1ccc(c(c1)SCc2nnn[nH]2)N(C)C 62a_100000765167_100012353700 [0,0,0,0,0,0|3,1,0]=4 75 B18R2.67047 Cc1ccc(c(c1)SCc2nnn[nH]2)N(C)C 62a_100012353700_100000765167 [0,0,0,0,0,0|3,1,0]=4 76 B18R2.67047 Cc1cnc(c(n1)SCC2=NCCN2)C(C)C 62a_100000737910_100015629263 [0,0,0,0,0,0|2,1,0]=3 77 B18R2.67047 Cc1cnc(c(n1)SCC2=NCCN2)C(C)C 62a_100015629263_100000737910 [0,0,0,0,0,0|2,1,0]=3 78 B18R2.67047 Fc1ccc(c(c1)SCC2=NCCN2)C(F)F 62a_100000737910_100010169823 [0,0,0,0,0,0|3,1,0]=4 79 B18R2.67047 Fc1ccc(c(c1)SCC2=NCCN2)C(F)F 62a_100010169823_100000737910 [0,0,0,0,0,0|3,1,0]=4 80 B18R2.67047 NC(=O)c1ccc(cc1OCC2=NCCN2)Br 34a_100011550861_100000737910 [0,0,0,0,0,0|3,0,1]=4 81 B18R2.67047 NC(=O)c1ccc(cc1OCC2=NCCN2)Br 7a_100011550861_100000737910 [0,0,0,0,0,0|3,0,1]=4 82 B18R2.67047 NC(=O)c1ccc(cc1OCC2=NCCN2)Cl 34a_100000192836_100000737910 [0,0,0,0,0,0|3,0,1]=4 83 B18R2.67047 NC(=O)c1ccc(cc1OCC2=NCCN2)Cl 7a_100000192836_100000737910 [0,0,0,0,0,0|3,0,1]=4 84 B18R2.67047 NC(=O)c1ccc(cc1OCC2=NCCN2)N 34a_100000223280_100000737910 [0,0,0,0,0,0|3,0,1]=4 85 B18R2.67047 NC(=O)c1ccc(cc1OCC2=NCCN2)N 7a_100000223280_100000737910 [0,0,0,0,0,0|3,0,1]=4 86 B18R2.67047 O=[N+]([O-])c1ccc(cc1OCC2=NCCN2)Br 7a_100011934350_100000737910 [0,0,0,0,0,0|4,0,0]=4 87 B18R2.67047 O=[N+]([O-])c1ccc(cc1OCC2=NCCN2)Cl 34a_100000746067_100000737910 [0,0,0,0,0,0|4,0,0]=4 88 B18R2.67047 O=[N+]([O-])c1ccc(cc1OCC2=NCCN2)Cl 7a_100000746067_100000737910 [0,0,0,0,0,0|4,0,0]=4 89 B18R2.67047 O=[N+]([O-])c1ccc(cc1OCC2=NCCN2)F 34a_100000210785_100000737910 [0,0,0,0,0,0|4,0,0]=4 90 B18R2.67047 O=[N+]([O-])c1ccc(cc1OCC2=NCCN2)F 7a_100000210785_100000737910 [0,0,0,0,0,0|4,0,0]=4 91 B18R2.67047 O=[N+]([O-])c1ccc(cc1OCC2=NCCN2)I 7a_100000072657_100000737910 [0,0,0,0,0,0|4,0,0]=4 92 B17R2.5678 C=C(C)c1ccccc1NCC2=NCCN2 34a_100000037685_100000737910 [1,0,0,0,0,0|1,0,2]=4 93 B17R2.5678 CC(=O)c1ccccc1SCC2=NCCN2 62a_100000751169_100000737910 [1,0,0,0,0,0|1,1,1]=4 94 B17R2.5678 CC(=O)c1ccncc1OCC2=NCCN2 7a_100009872882_100000737910 [1,0,0,0,0,0|2,0,1]=4 95 B17R2.5678 CC(=O)c1ncccc1OCC2=NCCN2 34a_100000087166_100000737910 [1,0,0,0,0,0|2,0,1]=4 96 B17R2.5678 CC(=O)c1ncccc1OCC2=NCCN2 7a_100000087166_100000737910 [1,0,0,0,0,0|2,0,1]=4 97 B17R2.5678 CC(C)c1ccccc1NCC2=NCCN2 34a_100000210643_100000737910 [1,0,0,0,0,0|1,0,0]=2 98 B17R2.5678 CC(C)c1ccccc1NCC2=NCCN2 7a_100000210643_100000737910 [1,0,0,0,0,0|1,0,0]=2 99 B17R2.5678 CC(C)c1ccccc1NCc2ncc[nH]2 207a_100000210643_100000743867 [1,0,0,0,0,0|1,0,2]=4 100 B17R2.5678 CC(C)c1ccccc1NCc2ncc[nH]2 2230a_100000210643_100016991755 [1,0,0,0,0,0|1,0,2]=4 101 B17R2.5678 CC(C)c1ccccc1NCc2ncc[nH]2 34a_100000210643_100016991755 [1,0,0,0,0,0|1,0,2]=4 102 B17R2.5678 CC(C)c1ccccc1NCc2ncc[nH]2 7a_100000210643_100000753453 [1,0,0,0,0,0|1,0,2]=4 103 B17R2.5678 CC(C)c1ccccc1NCc2nnn[nH]2 34a_100000210643_100000765167 [1,0,0,0,0,0|3,0,0]=4 104 B17R2.5678 CC(C)c1ccccc1NCc2nnn[nH]2 7a_100000210643_100000765167 [1,0,0,0,0,0|3,0,0]=4 105 B17R2.5678 CC(C)c1ccccc1OCC2=NCCN2 34a_100000211617_100000737910 [1,0,0,0,0,0|0,0,0]=1 106 B17R2.5678 CC(C)c1ccccc1OCC2=NCCN2 7a_100000211617_100000737910 [1,0,0,0,0,0|0,0,0]=1 107 B17R2.5678 CC(C)c1ccccc1OCC2CCCC2 34a_100000211617_100000740388 [1,0,0,0,0,0|2,0,1]=4 108 B17R2.5678 CC(C)c1ccccc1OCC2CCCC2 7a_100000211617_100000740388 [1,0,0,0,0,0|2,0,1]=4 109 B17R2.5678 CC(C)c1ccccc1OCC2CCCO2 7a_100000211617_100000203698 [1,0,0,0,0,0|2,0,1]=4 110 B17R2.5678 CC(C)c1ccccc1OCC2OCCO2 34a_100000211617_100000755774 [1,0,0,0,0,0|2,0,1]=4 111 B17R2.5678 CC(C)c1ccccc1OCC2OCCO2 7a_100000211617_100000755774 [1,0,0,0,0,0|2,0,1]=4 112 B17R2.5678 CC(C)c1ccccc1OCc2c[nH]cn2 34a_100000211617_100000707719 [1,0,0,0,0,0|2,0,1]=4 113 B17R2.5678 CC(C)c1ccccc1OCc2ccn[nH]2 34a_100000211617_100000728653 [1,0,0,0,0,0|2,0,1]=4 114 B17R2.5678 CC(C)c1ccccc1OCc2ccn[nH]2 7a_100000211617_100000728653 [1,0,0,0,0,0|2,0,1]=4 115 B17R2.5678 CC(C)c1ccccc1OCc2ccon2 34a_100000211617_100000234950 [1,0,0,0,0,0|2,0,1]=4 116 B17R2.5678 CC(C)c1ccccc1OCc2ccon2 7a_100000211617_100000234950 [1,0,0,0,0,0|2,0,1]=4 117 B17R2.5678 CC(C)c1ccccc1OCc2cscn2 34a_100000211617_100000205941 [1,0,0,0,0,0|2,0,1]=4 118 B17R2.5678 CC(C)c1ccccc1OCc2cscn2 7a_100000211617_100000205941 [1,0,0,0,0,0|2,0,1]=4 119 B17R2.5678 CC(C)c1ccccc1OCc2ncc[nH]2 34a_100000211617_100016991755 [1,0,0,0,0,0|0,0,2]=3 120 B17R2.5678 CC(C)c1ccccc1OCc2ncc[nH]2 7a_100000211617_100000753453 [1,0,0,0,0,0|0,0,2]=3 121 B17R2.5678 CC(C)c1ccccc1OCc2ncco2 34a_100000211617_103436540062 [1,0,0,0,0,0|1,0,2]=4 122 B17R2.5678 CC(C)c1ccccc1OCc2ncco2 7a_100000211617_103436540062 [1,0,0,0,0,0|1,0,2]=4 123 B17R2.5678 CC(C)c1ccccc1OCc2nccs2 34a_100000211617_100015184050 [1,0,0,0,0,0|1,0,2]=4 124 B17R2.5678 CC(C)c1ccccc1OCc2nccs2 7a_100000211617_100015184050 [1,0,0,0,0,0|1,0,2]=4 125 B17R2.5678 CC(C)c1ccccc1OCc2ncon2 34a_100000211617_100000233494 [1,0,0,0,0,0|1,0,2]=4 126 B17R2.5678 CC(C)c1ccccc1OCc2nnn[nH]2 34a_100000211617_100000765167 [1,0,0,0,0,0|2,0,0]=3 127 B17R2.5678 CC(C)c1ccccc1OCc2nnn[nH]2 7a_100000211617_100000765167 [1,0,0,0,0,0|2,0,0]=3 128 B17R2.5678 CC(C)c1ccccc1SCC2=NCCN2 62a_100000708600_100000737910 [1,0,0,0,0,0|0,1,0]=2 129 B17R2.5678 CC(C)c1ccccc1SCC2=NCCN2 62a_100000737910_100000708600 [1,0,0,0,0,0|0,1,0]=2 130 B17R2.5678 CC(C)c1ccccc1SCc2ncc[nH]2 62a_100000708600_100016991755 [1,0,0,0,0,0|0,1,2]=4 131 B17R2.5678 CC(C)c1ccccc1SCc2ncc[nH]2 62a_100016991755_100000708600 [1,0,0,0,0,0|0,1,2]=4 132 B17R2.5678 CC(C)c1ccccc1SCc2nnn[nH]2 62a_100000708600_100000765167 [1,0,0,0,0,0|2,1,0]=4 133 B17R2.5678 CC(C)c1ccccc1SCc2nnn[nH]2 62a_100000765167_100000708600 [1,0,0,0,0,0|2,1,0]=4 134 B17R2.5678 CC(C)c1cccnc1SCC2=NCCN2 62a_100000737910_200010382935 [1,0,0,0,0,0|1,1,0]=3 135 B17R2.5678 CC(C)c1cccnc1SCC2=NCCN2 62a_200010382935_100000737910 [1,0,0,0,0,0|1,1,0]=3 136 B17R2.5678 CC(C)c1ncccc1OCC2=NCCN2 34a_100012183336_100000737910 [1,0,0,0,0,0|1,0,0]=2 137 B17R2.5678 CC(C)c1ncccc1OCC2=NCCN2 7a_100012183336_100000737910 [1,0,0,0,0,0|1,0,0]=2 138 B17R2.5678 CC(C)c1ncccc1OCc2ncc[nH]2 34a_100012183336_100016991755 [1,0,0,0,0,0|1,0,2]=4 139 B17R2.5678 CC(C)c1ncccc1OCc2ncc[nH]2 7a_100012183336_100000753453 [1,0,0,0,0,0|1,0,2]=4 140 B17R2.5678 CC(C)c1ncccc1OCc2nnn[nH]2 34a_100012183336_100000765167 [1,0,0,0,0,0|3,0,0]=4 141 B17R2.5678 CC(C)c1ncccc1OCc2nnn[nH]2 7a_100012183336_100000765167 [1,0,0,0,0,0|3,0,0]=4 142 B17R2.5678 CC(C)c1ncncc1SCC2=NCCN2 62a_100000737910_100009816988 [1,0,0,0,0,0|2,1,0]=4 143 B17R2.5678 CC(C)c1ncncc1SCC2=NCCN2 62a_100009816988_100000737910 [1,0,0,0,0,0|2,1,0]=4 144 B17R2.5678 CC(N)c1ccccc1SCC2=NCCN2 62a_100000181357_100000737910 [1,0,0,0,0,0|1,1,0]=3 145 B17R2.5678 CC(N)c1ccccc1SCC2=NCCN2 62a_100000737910_100000181357 [1,0,0,0,0,0|1,1,0]=3 146 B17R2.5678 CC(N)c1ncccc1SCC2=NCCN2 62a_100000737910_100159271932 [1,0,0,0,0,0|2,1,0]=4 147 B17R2.5678 CC(N)c1ncccc1SCC2=NCCN2 62a_100159271932_100000737910 [1,0,0,0,0,0|2,1,0]=4 148 B17R2.5678 CC(O)c1ccccc1OCC2=NCCN2 34a_200011232679_100000737910 [1,0,0,0,0,0|1,0,0]=2 149 B17R2.5678 CC(O)c1ccccc1OCC2=NCCN2 7a_200011232679_100000737910 [1,0,0,0,0,0|1,0,0]=2 150 B17R2.5678 CC(O)c1ccccc1OCc2ncc[nH]2 34a_200011232679_100016991755 [1,0,0,0,0,0|1,0,2]=4 151 B17R2.5678 CC(O)c1ccccc1OCc2ncc[nH]2 7a_200011232679_100000753453 [1,0,0,0,0,0|1,0,2]=4 152 B17R2.5678 CC(O)c1ccccc1OCc2nnn[nH]2 34a_200011232679_100000765167 [1,0,0,0,0,0|3,0,0]=4 153 B17R2.5678 CC(O)c1ccccc1OCc2nnn[nH]2 7a_200011232679_100000765167 [1,0,0,0,0,0|3,0,0]=4 154 B17R2.5678 CC(O)c1ccccc1SCC2=NCCN2 62a_100000702211_100000737910 [1,0,0,0,0,0|1,1,0]=3 155 B17R2.5678 CC(O)c1ccccc1SCC2=NCCN2 62a_100000737910_100000702211 [1,0,0,0,0,0|1,1,0]=3 156 B17R2.5678 CC(O)c1cccnc1SCC2=NCCN2 62a_100000737910_100009865335 [1,0,0,0,0,0|2,1,0]=4 157 B17R2.5678 CC(O)c1cccnc1SCC2=NCCN2 62a_100009865335_100000737910 [1,0,0,0,0,0|2,1,0]=4 158 B17R2.5678 CN(C)c1ccccc1SCC2=NCCN2 62a_100000737910_100011290883 [1,0,0,0,0,0|1,1,0]=3 159 B17R2.5678 CN(C)c1ccccc1SCC2=NCCN2 62a_100011290883_100000737910 [1,0,0,0,0,0|1,1,0]=3 160 B17R2.5678 CN(C)c1ccncc1SCC2=NCCN2 62a_100000737910_100012355995 [1,0,0,0,0,0|2,1,0]=4 161 B17R2.5678 CN(C)c1ccncc1SCC2=NCCN2 62a_100012355995_100000737910 [1,0,0,0,0,0|2,1,0]=4 162 B17R2.5678 CN(C)c1ncccc1SCC2=NCCN2 62a_100000737910_100011465059 [1,0,0,0,0,0|2,1,0]=4 163 B17R2.5678 CN(C)c1ncccc1SCC2=NCCN2 62a_100011465059_100000737910 [1,0,0,0,0,0|2,1,0]=4 164 B17R2.5678 CS(=O)c1ccccc1SCC2=NCCN2 62a_100000734199_100000737910 [1,0,0,0,0,0|2,1,0]=4 165 B17R2.5678 C[C@@H](N)c1ccccc1OCC2=NCCN2 34a_100025703389_100000737910 [1,0,0,0,0,0|1,0,0]=2 166 B17R2.5678 C[C@@H](N)c1ccccc1OCc2ncc[nH]2 34a_100025703389_100016991755 [1,0,0,0,0,0|1,0,2]=4 167 B17R2.5678 C[C@@H](N)c1ccccc1OCc2nnn[nH]2 34a_100025703389_100000765167 [1,0,0,0,0,0|3,0,0]=4 168 B17R2.5678 C[C@H](O)c1ncccc1SCC2=NCCN2 62a_100000737910_100013325542 [1,0,0,0,0,0|2,1,0]=4 169 B17R2.5678 C[C@H](O)c1ncccc1SCC2=NCCN2 62a_100013325542_100000737910 [1,0,0,0,0,0|2,1,0]=4 170 B17R2.5678 FC(F)c1ccccc1NCC2=NCCN2 34a_100000734540_100000737910 [1,0,0,0,0,0|3,0,0]=4 171 B17R2.5678 FC(F)c1ccccc1NCC2=NCCN2 7a_100000734540_100000737910 [1,0,0,0,0,0|3,0,0]=4 172 B17R2.5678 FC(F)c1ccccc1SCC2=NCCN2 62a_100000737910_100010169824 [1,0,0,0,0,0|2,1,0]=4 173 B17R2.5678 FC(F)c1ccccc1SCC2=NCCN2 62a_100010169824_100000737910 [1,0,0,0,0,0|2,1,0]=4 174 B17R2.5678 FC(F)c1ccncc1OCC2=NCCN2 34a_100010834524_100000737910 [1,0,0,0,0,0|3,0,0]=4 175 B17R2.5678 FC(F)c1ccncc1OCC2=NCCN2 7a_100010834524_100000737910 [1,0,0,0,0,0|3,0,0]=4 176 B17R2.5678 NC(=O)c1ccccc1OCC2=NCCN2 34a_100000192804_100000737910 [1,0,0,0,0,0|2,0,1]=4 177 B17R2.5678 NC(=O)c1ccccc1OCC2=NCCN2 7a_100000192804_100000737910 [1,0,0,0,0,0|2,0,1]=4 178 B17R2.5678 NC(=S)c1ccccc1OCC2=NCCN2 7a_100000745089_100000737910 [1,0,0,0,0,0|2,0,1]=4 179 B17R2.5678 O=C([O-])c1ccccc1OCC2=NCCN2 7a_100015234032_100000737910 [1,0,0,0,0,0|2,0,1]=4 180 B17R2.5678 O=[N+]([O-])c1ccccc1OCC2=NCCN2 34a_100000186319_100000737910 [1,0,0,0,0,0|3,0,0]=4 181 B17R2.5678 O=[N+]([O-])c1ccccc1OCC2=NCCN2 7a_100000186319_100000737910 [1,0,0,0,0,0|3,0,0]=4 182 B17R2.9549 CCc1ccc(cc1NCC2=NCCN2)Br 34a_100012354963_100000737910 [1,0,0,0,0,0|2,0,0]=3 183 B17R2.9549 CCc1ccc(cc1NCC2=NCCN2)Br 7a_100012354963_100000737910 [1,0,0,0,0,0|2,0,0]=3 184 B17R2.9549 CCc1ccc(cc1NCC2=NCCN2)Cl 34a_200012281948_100000737910 [1,0,0,0,0,0|2,0,0]=3 185 B17R2.9549 CCc1ccc(cc1NCC2=NCCN2)Cl 7a_200012281948_100000737910 [1,0,0,0,0,0|2,0,0]=3 186 B17R2.9549 CCc1cnc(cc1SCC2=NCCN2)C 62a_100000737910_100010291839 [1,0,0,0,0,0|1,1,0]=3 187 B17R2.9549 CCc1cnc(cc1SCC2=NCCN2)C 62a_100010291839_100000737910 [1,0,0,0,0,0|1,1,0]=3 188 B17R2.9549 CCc1cnc(nc1SCC2=NCCN2)C 62a_100000737910_200000069817 [1,0,0,0,0,0|2,1,0]=4 189 B17R2.9549 CCc1cnc(nc1SCC2=NCCN2)C 62a_200000069817_100000737910 [1,0,0,0,0,0|2,1,0]=4 190 B17R2.9549 CCc1ncc(cc1SCC2=NCCN2)N 62a_100000737910_100013085292 [1,0,0,0,0,0|2,1,0]=4 191 B17R2.9549 CCc1ncc(cc1SCC2=NCCN2)N 62a_100013085292_100000737910 [1,0,0,0,0,0|2,1,0]=4 192 B17R2.9549 CNc1ccc(cc1SCC2=NCCN2)C 62a_100000221369_100000737910 [1,0,0,0,0,0|1,1,0]=3 193 B17R2.9549 CNc1ccc(cc1SCC2=NCCN2)C 62a_100000737910_100000221369 [1,0,0,0,0,0|1,1,0]=3 194 B17R2.9549 CNc1ccc(cc1SCC2=NCCN2)F 62a_100000737910_100011246292 [1,0,0,0,0,0|2,1,0]=4 195 B17R2.9549 CNc1ccc(cc1SCC2=NCCN2)F 62a_100011246292_100000737910 [1,0,0,0,0,0|2,1,0]=4 196 B17R2.9549 COc1ccc(cc1NCC2=NCCN2)Br 34a_100000743470_100000737910 [1,0,0,0,0,0|3,0,0]=4 197 B17R2.9549 COc1ccc(cc1NCC2=NCCN2)C 34a_100000210980_100000737910 [1,0,0,0,0,0|2,0,0]=3 198 B17R2.9549 COc1ccc(cc1NCC2=NCCN2)Cl 34a_100000182114_100000737910 [1,0,0,0,0,0|3,0,0]=4 199 B17R2.9549 COc1ccc(cc1NCC2=NCCN2)F 34a_100000757179_100000737910 [1,0,0,0,0,0|3,0,0]=4 200 B17R2.9549 COc1ccc(cc1OCC2=NCCN2)Br 34a_100009816560_100000737910 [1,0,0,0,0,0|2,0,0]=3 201 B17R2.9549 COc1ccc(cc1OCC2=NCCN2)Br 7a_100009816560_100000737910 [1,0,0,0,0,0|2,0,0]=3 202 B17R2.9549 COc1ccc(cc1OCC2=NCCN2)C 34a_100011216497_100000737910 [1,0,0,0,0,0|1,0,0]=2 203 B17R2.9549 COc1ccc(cc1OCC2=NCCN2)C 7a_100011216497_100000737910 [1,0,0,0,0,0|1,0,0]=2 204 B17R2.9549 COc1ccc(cc1OCC2=NCCN2)Cl 34a_100000101779_100000737910 [1,0,0,0,0,0|2,0,0]=3 205 B17R2.9549 COc1ccc(cc1OCC2=NCCN2)Cl 7a_100000101779_100000737910 [1,0,0,0,0,0|2,0,0]=3 206 B17R2.9549 COc1ccc(cc1OCC2=NCCN2)F 34a_100000034962_100000737910 [1,0,0,0,0,0|2,0,0]=3 207 B17R2.9549 COc1ccc(cc1OCC2=NCCN2)F 7a_100000034962_100000737910 [1,0,0,0,0,0|2,0,0]=3 208 B17R2.9549 COc1ccc(cc1OCC2=NCCN2)N 34a_100000211920_100000737910 [1,0,0,0,0,0|2,0,0]=3 209 B17R2.9549 COc1ccc(cc1OCc2ncc[nH]2)C 34a_100011216497_100016991755 [1,0,0,0,0,0|1,0,2]=4 210 B17R2.9549 COc1ccc(cc1OCc2ncc[nH]2)C 7a_100011216497_100000753453 [1,0,0,0,0,0|1,0,2]=4 211 B17R2.9549 COc1ccc(cc1OCc2nnn[nH]2)C 34a_100011216497_100000765167 [1,0,0,0,0,0|3,0,0]=4 212 B17R2.9549 COc1ccc(cc1OCc2nnn[nH]2)C 7a_100011216497_100000765167 [1,0,0,0,0,0|3,0,0]=4 213 B17R2.9549 COc1ccc(cc1SCC2=NCCN2)Br 62a_100000737910_100012351588 [1,0,0,0,0,0|2,1,0]=4 214 B17R2.9549 COc1ccc(cc1SCC2=NCCN2)Br 62a_100012351588_100000737910 [1,0,0,0,0,0|2,1,0]=4 215 B17R2.9549 COc1ccc(cc1SCC2=NCCN2)C 62a_100000186399_100000737910 [1,0,0,0,0,0|1,1,0]=3 216 B17R2.9549 COc1ccc(cc1SCC2=NCCN2)C 62a_100000737910_100000186399 [1,0,0,0,0,0|1,1,0]=3 217 B17R2.9549 COc1ccc(cc1SCC2=NCCN2)Cl 62a_100000737910_100011215930 [1,0,0,0,0,0|2,1,0]=4 218 B17R2.9549 COc1ccc(cc1SCC2=NCCN2)Cl 62a_100011215930_100000737910 [1,0,0,0,0,0|2,1,0]=4 219 B17R2.9549 COc1ccc(cc1SCC2=NCCN2)F 62a_100000171694_100000737910 [1,0,0,0,0,0|2,1,0]=4 220 B17R2.9549 COc1ccc(cc1SCC2=NCCN2)F 62a_100000737910_100000171694 [1,0,0,0,0,0|2,1,0]=4 221 B17R2.9549 COc1ccc(cc1SCC2=NCCN2)N 62a_100000737910_100011356947 [1,0,0,0,0,0|2,1,0]=4 222 B17R2.9549 COc1ccc(cc1SCC2=NCCN2)N 62a_100011356947_100000737910 [1,0,0,0,0,0|2,1,0]=4 223 B17R2.9549 COc1ccc(cc1SCC2=NCCN2)O 62a_100000737910_100010234764 [1,0,0,0,0,0|2,1,0]=4 224 B17R2.9549 COc1ccc(cc1SCC2=NCCN2)O 62a_100010234764_100000737910 [1,0,0,0,0,0|2,1,0]=4 225 B17R2.9549 COc1ccc(nc1SCC2=NCCN2)C 62a_100000737910_100009820875 [1,0,0,0,0,0|2,1,0]=4 226 B17R2.9549 COc1ccc(nc1SCC2=NCCN2)C 62a_100009820875_100000737910 [1,0,0,0,0,0|2,1,0]=4 227 B17R2.9549 COc1cnc(cc1OCC2=NCCN2)Br 34a_100010264082_100000737910 [1,0,0,0,0,0|3,0,0]=4 228 B17R2.9549 COc1cnc(cc1OCC2=NCCN2)Cl 34a_100009849459_100000737910 [1,0,0,0,0,0|3,0,0]=4 229 B17R2.9549 COc1cnc(cc1SCC2=NCCN2)C 62a_100000737910_100010109759 [1,0,0,0,0,0|2,1,0]=4 230 B17R2.9549 COc1cnc(cc1SCC2=NCCN2)C 62a_100010109759_100000737910 [1,0,0,0,0,0|2,1,0]=4 231 B17R2.9549 COc1ncc(cc1OCC2=NCCN2)Br 34a_100010135713_100000737910 [1,0,0,0,0,0|3,0,0]=4 232 B17R2.9549 COc1ncc(cc1SCC2=NCCN2)C 62a_100000737910_100012353929 [1,0,0,0,0,0|2,1,0]=4 233 B17R2.9549 COc1ncc(cc1SCC2=NCCN2)C 62a_100012353929_100000737910 [1,0,0,0,0,0|2,1,0]=4 234 B17R2.9549 CSc1ccc(cc1NCC2=NCCN2)Cl 34a_100000745667_100000737910 [1,0,0,0,0,0|3,0,0]=4 235 B17R2.9549 CSc1ccc(cc1SCC2=NCCN2)C 62a_100000737910_200010201864 [1,0,0,0,0,0|1,1,0]=3 236 B17R2.9549 CSc1ccc(cc1SCC2=NCCN2)C 62a_200010201864_100000737910 [1,0,0,0,0,0|1,1,0]=3 237 B17R2.9549 CSc1ccc(cc1SCC2=NCCN2)F 62a_100000737910_100009817003 [1,0,0,0,0,0|2,1,0]=4 238 B17R2.9549 CSc1ccc(cc1SCC2=NCCN2)F 62a_100009817003_100000737910 [1,0,0,0,0,0|2,1,0]=4 239 B17R2.9549 Cc1ccc(c(c1)NCC2=NCCN2)C#N 34a_100011218341_100000737910 [1,0,0,0,0,0|2,0,1]=4 240 B17R2.9549 Cc1ccc(c(c1)NCC2=NCCN2)C#N 7a_100011218341_100000737910 [1,0,0,0,0,0|2,0,1]=4 241 B17R2.9549 Cc1ccc(c(c1)NCC2=NCCN2)CO 34a_100000087799_100000737910 [1,0,0,0,0,0|2,0,0]=3 242 B17R2.9549 Cc1ccc(c(c1)OCC2=NCCN2)C#N 34a_100011640519_100000737910 [1,0,0,0,0,0|1,0,1]=3 243 B17R2.9549 Cc1ccc(c(c1)OCC2=NCCN2)C#N 7a_100011640519_100000737910 [1,0,0,0,0,0|1,0,1]=3 244 B17R2.9549 Cc1ccc(c(c1)SCC2=NCCN2)C#N 62a_100000737910_100000693804 [1,0,0,0,0,0|1,1,1]=4 245 B17R2.9549 Cc1ccc(c(c1)SCC2=NCCN2)C=O 62a_100000737910_100011935181 [1,0,0,0,0,0|1,1,1]=4 246 B17R2.9549 Cc1ccc(c(c1)SCC2=NCCN2)C=O 62a_100011935181_100000737910 [1,0,0,0,0,0|1,1,1]=4 247 B17R2.9549 Cc1ccc(c(c1)SCC2=NCCN2)NN 62a_100000737910_100016996181 [1,0,0,0,0,0|2,1,0]=4 248 B17R2.9549 Cc1ccc(c(c1)SCC2=NCCN2)NN 62a_100016996181_100000737910 [1,0,0,0,0,0|2,1,0]=4 249 B17R2.9549 Cc1ccc(c(n1)SCC2=NCCN2)CO 62a_100000737910_102495338573 [1,0,0,0,0,0|2,1,0]=4 250 B17R2.9549 Cc1ccc(c(n1)SCC2=NCCN2)CO 62a_102495338573_100000737910 [1,0,0,0,0,0|2,1,0]=4 251 B17R2.9549 N#Cc1ccc(cc1OCC2=NCCN2)Br 34a_100011934713_100000737910 [1,0,0,0,0,0|2,0,1]=4 252 B17R2.9549 N#Cc1ccc(cc1OCC2=NCCN2)Br 7a_100011934713_100000737910 [1,0,0,0,0,0|2,0,1]=4 253 B17R2.9549 N#Cc1ccc(cc1OCC2=NCCN2)Cl 34a_100000688488_100000737910 [1,0,0,0,0,0|2,0,1]=4 254 B17R2.9549 N#Cc1ccc(cc1OCC2=NCCN2)Cl 7a_100000688488_100000737910 [1,0,0,0,0,0|2,0,1]=4 255 B17R2.9549 N#Cc1ccc(cc1OCC2=NCCN2)F 34a_100012185923_100000737910 [1,0,0,0,0,0|2,0,1]=4 256 B17R2.9549 N#Cc1ccc(cc1OCC2=NCCN2)F 7a_100012185923_100000737910 [1,0,0,0,0,0|2,0,1]=4 257 B17R2.9549 N#Cc1ccc(cc1OCC2=NCCN2)N 34a_100000094571_100000737910 [1,0,0,0,0,0|2,0,1]=4 258 B17R2.9549 N#Cc1ccc(cc1OCC2=NCCN2)N 7a_100000094571_100000737910 [1,0,0,0,0,0|2,0,1]=4 259 B17R2.9549 NCc1ccc(cc1SCC2=NCCN2)F 62a_100000708791_100000737910 [1,0,0,0,0,0|2,1,0]=4 260 B17R2.9549 NCc1ccc(cc1SCC2=NCCN2)F 62a_100000737910_100000708791 [1,0,0,0,0,0|2,1,0]=4 261 B17R2.9549 OCc1ccc(cc1NCC2=NCCN2)Br 34a_100000718831_100000737910 [1,0,0,0,0,0|3,0,0]=4 262 B17R2.9549 OCc1ccc(cc1NCC2=NCCN2)Cl 34a_100000238622_100000737910 [1,0,0,0,0,0|3,0,0]=4 263 B17R2.9549 OCc1ccc(cc1NCC2=NCCN2)F 34a_100011996588_100000737910 [1,0,0,0,0,0|3,0,0]=4 264 B17R2.9549 OCc1ccc(cc1OCC2=NCCN2)Br 34a_100000071718_100000737910 [1,0,0,0,0,0|2,0,0]=3 265 B17R2.9549 OCc1ccc(cc1OCC2=NCCN2)Br 7a_100000071718_100000737910 [1,0,0,0,0,0|2,0,0]=3 266 B17R2.9549 OCc1ccc(cc1SCC2=NCCN2)Br 62a_100000737910_100010146605 [1,0,0,0,0,0|2,1,0]=4 267 B17R2.9549 OCc1ccc(cc1SCC2=NCCN2)Br 62a_100010146605_100000737910 [1,0,0,0,0,0|2,1,0]=4 268 B17R2.9549 OCc1ccc(cc1SCC2=NCCN2)Cl 62a_100000722340_100000737910 [1,0,0,0,0,0|2,1,0]=4 269 B17R2.9549 OCc1ccc(cc1SCC2=NCCN2)Cl 62a_100000737910_100000722340 [1,0,0,0,0,0|2,1,0]=4 270 B17R2.9549 OCc1ccc(cc1SCC2=NCCN2)F 62a_100000737910_100000744086 [1,0,0,0,0,0|2,1,0]=4 271 B17R2.9549 OCc1ccc(cc1SCC2=NCCN2)F 62a_100000744086_100000737910 [1,0,0,0,0,0|2,1,0]=4 272 B17R2.9549 OCc1ccc(cc1SCC2=NCCN2)O 62a_100000737910_100010146404 [1,0,0,0,0,0|2,1,0]=4 273 B17R2.9549 OCc1ccc(cc1SCC2=NCCN2)O 62a_100010146404_100000737910 [1,0,0,0,0,0|2,1,0]=4 274 B19R2.17415 CC(=O)c1c(cc(cc1OCC2=NCCN2)Br)F 34a_100010734142_100000737910 [0,1,0,0,0,0|2,0,1]=4 275 B19R2.17415 CC(=O)c1c(cc(cc1OCC2=NCCN2)Br)F 7a_100010734142_100000737910 [0,1,0,0,0,0|2,0,1]=4 276 B19R2.17415 CC(=O)c1c(cc(cc1OCC2=NCCN2)Cl)F 34a_100009859732_100000737910 [0,1,0,0,0,0|2,0,1]=4 277 B19R2.17415 CC(=O)c1c(cc(cc1OCC2=NCCN2)Cl)F 7a_100009859732_100000737910 [0,1,0,0,0,0|2,0,1]=4 278 B19R2.45048 Cc1ccc(c(c1)OC[C@@H]2CCC(=O)N2)C(C)C 7a_100000185798_100015189358 [0,1,0,0,0,0|1,0,2]=4 279 B19R2.45048 Cc1ccc(c(c1)OCc2cc(on2)C)C(C)C 34a_100000185798_100000199038 [0,1,0,0,0,0|2,0,1]=4 280 B19R2.45048 Cc1ccc(c(c1)OCc2cc(on2)C)C(C)C 7a_100000185798_100000199038 [0,1,0,0,0,0|2,0,1]=4 281 B19R2.45048 Cc1ccc(c(c1)OCc2ccn(n2)C)C(C)C 34a_100000185798_100000726502 [0,1,0,0,0,0|2,0,1]=4 282 B19R2.45048 Cc1ccc(c(c1)OCc2ccn(n2)C)C(C)C 7a_100000185798_100000726502 [0,1,0,0,0,0|2,0,1]=4 283 B19R2.45048 Cc1ccc(c(c1)OCc2cn(cn2)C)C(C)C 34a_100000185798_100000717665 [0,1,0,0,0,0|2,0,1]=4 284 B19R2.45048 Cc1ccc(c(c1)OCc2cn(cn2)C)C(C)C 7a_100000185798_100000717665 [0,1,0,0,0,0|2,0,1]=4 285 B19R2.45048 Cc1ccc(c(c1)OCc2csc(n2)C)C(C)C 34a_100000185798_100015186478 [0,1,0,0,0,0|2,0,1]=4 286 B19R2.45048 Cc1ccc(c(c1)OCc2csc(n2)C)C(C)C 7a_100000185798_100015186478 [0,1,0,0,0,0|2,0,1]=4 287 B19R2.45048 Cc1ccc(c(c1)OCc2csc(n2)Cl)C(C)C 34a_100000185798_100000024076 [0,1,0,0,0,0|2,0,1]=4 288 B19R2.45048 Cc1ccc(c(c1)OCc2csc(n2)Cl)C(C)C 7a_100000185798_100000024076 [0,1,0,0,0,0|2,0,1]=4 289 B19R2.45048 Cc1ccc(c(c1)OCc2n[nH]c(=O)[nH]2)C(C)C 7a_100000185798_100000754189 [0,1,0,0,0,0|1,0,1]=3 290 B19R2.45048 Cc1ccc(c(c1)OCc2nc(no2)C)C(C)C 270196a_100000212224_100000182424 [0,1,0,0,0,0|2,0,1]=4 291 B19R2.45048 Cc1ccc(c(c1)OCc2nc(no2)C)C(C)C 34a_100000185798_100000735555 [0,1,0,0,0,0|2,0,1]=4 292 B19R2.45048 Cc1ccc(c(c1)OCc2nc(no2)C)C(C)C 7a_100000185798_100000735555 [0,1,0,0,0,0|2,0,1]=4 293 B19R2.45048 Cc1ccc(c(c1)OCc2ncn(n2)C)C(C)C 34a_100000185798_100016995526 [0,1,0,0,0,0|1,0,2]=4 294 B19R2.45048 Cc1ccc(c(c1)OCc2ncn(n2)C)C(C)C 7a_100000185798_100016995526 [0,1,0,0,0,0|1,0,2]=4 295 B19R2.45048 Cc1ccc(c(c1)OCc2nnc(o2)C)C(C)C 7a_100000185798_100000181450 [0,1,0,0,0,0|2,0,1]=4 296 B19R2.45048 Cc1ccc(c(c1)OCc2nnc(s2)C)C(C)C 34a_100000185798_100000688753 [0,1,0,0,0,0|2,0,1]=4 297 B19R2.45048 Cc1ccc(c(c1)OCc2nnc(s2)C)C(C)C 7a_100000185798_100000688753 [0,1,0,0,0,0|2,0,1]=4 298 B19R2.45048 Cc1ccc(c(c1)OCc2noc(n2)C)C(C)C 34a_100000185798_100000231061 [0,1,0,0,0,0|1,0,2]=4 299 B19R2.45048 Cc1ccc(c(c1)OCc2noc(n2)C)C(C)C 7a_100000185798_100000231061 [0,1,0,0,0,0|1,0,2]=4 300 B19R2.45048 Cc1ccc(c(c1)OCc2nsc(n2)Cl)C(C)C 34a_100000185798_100000043760 [0,1,0,0,0,0|1,0,2]=4 301 B19R2.102876 CC(=O)c1cc(c(cc1OCC2=NCCN2)Br)C 34a_100009816031_100000737910 [0,1,0,0,0,0|2,0,1]=4 302 B19R2.102876 CC(=O)c1cc(c(cc1OCC2=NCCN2)Br)C 7a_100009816031_100000737910 [0,1,0,0,0,0|2,0,1]=4 303 B19R2.102876 CC(=O)c1cc(c(cc1OCC2=NCCN2)Br)F 34a_200010245088_100000737910 [0,1,0,0,0,0|2,0,1]=4 304 B19R2.102876 CC(=O)c1cc(c(cc1OCC2=NCCN2)Br)F 7a_200010245088_100000737910 [0,1,0,0,0,0|2,0,1]=4 305 B19R2.102876 CC(=O)c1cc(c(cc1OCC2=NCCN2)C)Br 34a_200010233951_100000737910 [0,1,0,0,0,0|1,0,1]=3 306 B19R2.102876 CC(=O)c1cc(c(cc1OCC2=NCCN2)C)Br 7a_200010233951_100000737910 [0,1,0,0,0,0|1,0,1]=3 307 B19R2.102876 CC(=O)c1cc(c(cc1OCC2=NCCN2)C)C 34a_100000014572_100000737910 [0,1,0,0,0,0|1,0,1]=3 308 B19R2.102876 CC(=O)c1cc(c(cc1OCC2=NCCN2)C)C 7a_100000014572_100000737910 [0,1,0,0,0,0|1,0,1]=3 309 B19R2.102876 CC(=O)c1cc(c(cc1OCC2=NCCN2)C)Cl 34a_100000014566_100000737910 [0,1,0,0,0,0|1,0,1]=3 310 B19R2.102876 CC(=O)c1cc(c(cc1OCC2=NCCN2)C)Cl 7a_100000014566_100000737910 [0,1,0,0,0,0|1,0,1]=3 311 B19R2.102876 CC(=O)c1cc(c(cc1OCC2=NCCN2)Cl)Cl 34a_100000720105_100000737910 [0,1,0,0,0,0|2,0,1]=4 312 B19R2.102876 CC(=O)c1cc(c(cc1OCC2=NCCN2)Cl)Cl 7a_100000720105_100000737910 [0,1,0,0,0,0|2,0,1]=4 313 B19R2.102876 CC(=O)c1cc(c(cc1OCC2=NCCN2)F)Br 34a_100000691652_100000737910 [0,1,0,0,0,0|2,0,1]=4 314 B19R2.102876 CC(=O)c1cc(c(cc1OCC2=NCCN2)F)Br 7a_100000691652_100000737910 [0,1,0,0,0,0|2,0,1]=4 315 B19R2.102876 Cc1cc(c(cc1Br)[N+](=O)[O-])OCC2=NCCN2 34a_100012351188_100000737910 [0,1,0,0,0,0|3,0,0]=4 316 B19R2.102876 Cc1cc(c(cc1Br)[N+](=O)[O-])OCC2=NCCN2 7a_100012351188_100000737910 [0,1,0,0,0,0|3,0,0]=4 317 B19R2.102876 Cc1cc(c(cc1Cl)C(C)C)OCC2=NCCN2 34a_100000211603_100000737910 [0,1,0,0,0,0|0,0,0]=1 318 B19R2.102876 Cc1cc(c(cc1Cl)C(C)C)OCC2=NCCN2 7a_100000211603_100000737910 [0,1,0,0,0,0|0,0,0]=1 319 B19R2.102876 Cc1cc(c(cc1Cl)C(C)C)OCC2CCCO2 7a_100000211603_100000203698 [0,1,0,0,0,0|2,0,1]=4 320 B19R2.102876 Cc1cc(c(cc1Cl)C(C)C)OCC2OCCO2 34a_100000211603_100000755774 [0,1,0,0,0,0|2,0,1]=4 321 B19R2.102876 Cc1cc(c(cc1Cl)C(C)C)OCC2OCCO2 7a_100000211603_100000755774 [0,1,0,0,0,0|2,0,1]=4 322 B19R2.102876 Cc1cc(c(cc1Cl)C(C)C)OCc2c[nH]cn2 34a_100000211603_100000707719 [0,1,0,0,0,0|2,0,1]=4 323 B19R2.102876 Cc1cc(c(cc1Cl)C(C)C)OCc2ccn[nH]2 34a_100000211603_100000728653 [0,1,0,0,0,0|2,0,1]=4 324 B19R2.102876 Cc1cc(c(cc1Cl)C(C)C)OCc2ccn[nH]2 7a_100000211603_100000728653 [0,1,0,0,0,0|2,0,1]=4 325 B19R2.102876 Cc1cc(c(cc1Cl)C(C)C)OCc2ccon2 34a_100000211603_100000234950 [0,1,0,0,0,0|2,0,1]=4 326 B19R2.102876 Cc1cc(c(cc1Cl)C(C)C)OCc2ccon2 7a_100000211603_100000234950 [0,1,0,0,0,0|2,0,1]=4 327 B19R2.102876 Cc1cc(c(cc1Cl)C(C)C)OCc2cscn2 34a_100000211603_100000205941 [0,1,0,0,0,0|2,0,1]=4 328 B19R2.102876 Cc1cc(c(cc1Cl)C(C)C)OCc2cscn2 7a_100000211603_100000205941 [0,1,0,0,0,0|2,0,1]=4 329 B19R2.102876 Cc1cc(c(cc1Cl)C(C)C)OCc2ncc[nH]2 34a_100000211603_100016991755 [0,1,0,0,0,0|0,0,2]=3 330 B19R2.102876 Cc1cc(c(cc1Cl)C(C)C)OCc2ncc[nH]2 7a_100000211603_100000753453 [0,1,0,0,0,0|0,0,2]=3 331 B19R2.102876 Cc1cc(c(cc1Cl)C(C)C)OCc2ncco2 34a_100000211603_103436540062 [0,1,0,0,0,0|1,0,2]=4 332 B19R2.102876 Cc1cc(c(cc1Cl)C(C)C)OCc2ncco2 7a_100000211603_103436540062 [0,1,0,0,0,0|1,0,2]=4 333 B19R2.102876 Cc1cc(c(cc1Cl)C(C)C)OCc2nccs2 34a_100000211603_100015184050 [0,1,0,0,0,0|1,0,2]=4 334 B19R2.102876 Cc1cc(c(cc1Cl)C(C)C)OCc2nccs2 7a_100000211603_100015184050 [0,1,0,0,0,0|1,0,2]=4 335 B19R2.102876 Cc1cc(c(cc1Cl)C(C)C)OCc2ncon2 34a_100000211603_100000233494 [0,1,0,0,0,0|1,0,2]=4 336 B19R2.102876 Cc1cc(c(cc1Cl)C(C)C)OCc2nnn[nH]2 34a_100000211603_100000765167 [0,1,0,0,0,0|2,0,0]=3 337 B19R2.102876 Cc1cc(c(cc1Cl)C(C)C)OCc2nnn[nH]2 7a_100000211603_100000765167 [0,1,0,0,0,0|2,0,0]=3 338 B19R2.102876 Cc1cc(c(cc1Cl)[N+](=O)[O-])OCC2=NCCN2 34a_100011215964_100000737910 [0,1,0,0,0,0|3,0,0]=4 339 B19R2.102876 Cc1cc(c(cc1Cl)[N+](=O)[O-])OCC2=NCCN2 7a_100011215964_100000737910 [0,1,0,0,0,0|3,0,0]=4 340 B19R2.102876 Cc1cc(c(cc1F)[N+](=O)[O-])OCC2=NCCN2 34a_100012175661_100000737910 [0,1,0,0,0,0|3,0,0]=4 341 B19R2.102876 Cc1cc(c(cc1F)[N+](=O)[O-])OCC2=NCCN2 7a_100012175661_100000737910 [0,1,0,0,0,0|3,0,0]=4 342 B19R2.102876 Cc1cc(c(cc1N)C(C)C)OCC2=NCCN2 34a_100000686282_100000737910 [0,1,0,0,0,0|0,0,0]=1 343 B19R2.102876 Cc1cc(c(cc1N)C(C)C)OCC2=NCCN2 7a_100000686282_100000737910 [0,1,0,0,0,0|0,0,0]=1 344 B19R2.102876 Cc1cc(c(cc1N)C(C)C)OCC2CCCC2 34a_100000686282_100000740388 [0,1,0,0,0,0|2,0,1]=4 345 B19R2.102876 Cc1cc(c(cc1N)C(C)C)OCC2CCCC2 7a_100000686282_100000740388 [0,1,0,0,0,0|2,0,1]=4 346 B19R2.102876 Cc1cc(c(cc1N)C(C)C)OCC2CCCO2 7a_100000686282_100000203698 [0,1,0,0,0,0|2,0,1]=4 347 B19R2.102876 Cc1cc(c(cc1N)C(C)C)OCC2OCCO2 34a_100000686282_100000755774 [0,1,0,0,0,0|2,0,1]=4 348 B19R2.102876 Cc1cc(c(cc1N)C(C)C)OCC2OCCO2 7a_100000686282_100000755774 [0,1,0,0,0,0|2,0,1]=4 349 B19R2.102876 Cc1cc(c(cc1N)C(C)C)OCc2c[nH]cn2 34a_100000686282_100000707719 [0,1,0,0,0,0|2,0,1]=4 350 B19R2.102876 Cc1cc(c(cc1N)C(C)C)OCc2ccn[nH]2 34a_100000686282_100000728653 [0,1,0,0,0,0|2,0,1]=4 351 B19R2.102876 Cc1cc(c(cc1N)C(C)C)OCc2ccn[nH]2 7a_100000686282_100000728653 [0,1,0,0,0,0|2,0,1]=4 352 B19R2.102876 Cc1cc(c(cc1N)C(C)C)OCc2ccon2 34a_100000686282_100000234950 [0,1,0,0,0,0|2,0,1]=4 353 B19R2.102876 Cc1cc(c(cc1N)C(C)C)OCc2ccon2 7a_100000686282_100000234950 [0,1,0,0,0,0|2,0,1]=4 354 B19R2.102876 Cc1cc(c(cc1N)C(C)C)OCc2cscn2 34a_100000686282_100000205941 [0,1,0,0,0,0|2,0,1]=4 355 B19R2.102876 Cc1cc(c(cc1N)C(C)C)OCc2cscn2 7a_100000686282_100000205941 [0,1,0,0,0,0|2,0,1]=4 356 B19R2.102876 Cc1cc(c(cc1N)C(C)C)OCc2ncc[nH]2 34a_100000686282_100016991755 [0,1,0,0,0,0|0,0,2]=3 357 B19R2.102876 Cc1cc(c(cc1N)C(C)C)OCc2ncc[nH]2 7a_100000686282_100000753453 [0,1,0,0,0,0|0,0,2]=3 358 B19R2.102876 Cc1cc(c(cc1N)C(C)C)OCc2ncco2 34a_100000686282_103436540062 [0,1,0,0,0,0|1,0,2]=4 359 B19R2.102876 Cc1cc(c(cc1N)C(C)C)OCc2ncco2 7a_100000686282_103436540062 [0,1,0,0,0,0|1,0,2]=4 360 B19R2.102876 Cc1cc(c(cc1N)C(C)C)OCc2nccs2 34a_100000686282_100015184050 [0,1,0,0,0,0|1,0,2]=4 361 B19R2.102876 Cc1cc(c(cc1N)C(C)C)OCc2nccs2 7a_100000686282_100015184050 [0,1,0,0,0,0|1,0,2]=4 362 B19R2.102876 Cc1cc(c(cc1N)C(C)C)OCc2ncon2 34a_100000686282_100000233494 [0,1,0,0,0,0|1,0,2]=4 363 B19R2.102876 Cc1cc(c(cc1N)C(C)C)OCc2nnn[nH]2 34a_100000686282_100000765167 [0,1,0,0,0,0|2,0,0]=3 364 B19R2.102876 Cc1cc(c(cc1N)C(C)C)OCc2nnn[nH]2 7a_100000686282_100000765167 [0,1,0,0,0,0|2,0,0]=3 365 B19R2.103263 Cc1ccc(c(c1)C(=O)Cc2nnn[nH]2)C(C)C 1458a_200012176289_100000765167 [0,1,0,0,0,0|3,0,0]=4 366 B19R2.103463 CC(C)(C)c1ccc(cc1NCC2=NCCN2)Cl 34a_100000728049_100000737910 [0,1,0,0,0,0|2,0,0]=3 367 B19R2.103463 CC(C)(C)c1ccc(cc1NCC2=NCCN2)Cl 7a_100000728049_100000737910 [0,1,0,0,0,0|2,0,0]=3 368 B19R2.103463 CC(C)(C)c1ccc(cc1SCC2=NCCN2)N 62a_100000737910_100010219255 [0,1,0,0,0,0|1,1,0]=3 369 B19R2.103463 CC(C)(C)c1ccc(cc1SCC2=NCCN2)N 62a_100010219255_100000737910 [0,1,0,0,0,0|1,1,0]=3 370 B19R2.103463 CC(F)(F)c1ccc(cc1SCC2=NCCN2)F 62a_100000737910_100010244463 [0,1,0,0,0,0|2,1,0]=4 371 B19R2.103463 CC(F)(F)c1ccc(cc1SCC2=NCCN2)F 62a_100010244463_100000737910 [0,1,0,0,0,0|2,1,0]=4 372 B19R2.103463 Cc1ccc(c(c1)NCC2=NCCN2)C(F)(F)F 34a_100000068034_100000737910 [0,1,0,0,0,0|3,0,0]=4 373 B19R2.103463 Cc1ccc(c(c1)NCC2=NCCN2)C(F)(F)F 7a_100000068034_100000737910 [0,1,0,0,0,0|3,0,0]=4 374 B19R2.103463 Cc1ccc(c(c1)NCC2=NCCN2)S(=O)(=O)C 34a_100000743561_100000737910 [0,1,0,0,0,0|3,0,0]=4 375 B19R2.103463 Cc1ccc(c(c1)NCC2=NCCN2)S(=O)(=O)C 7a_100000743561_100000737910 [0,1,0,0,0,0|3,0,0]=4 376 B19R2.103463 Cc1ccc(c(c1)OCC2=NCCN2)C(C)(C)C 34a_100000212021_100000737910 [0,1,0,0,0,0|0,0,0]=1 377 B19R2.103463 Cc1ccc(c(c1)OCC2=NCCN2)C(C)(C)C 7a_100000212021_100000737910 [0,1,0,0,0,0|0,0,0]=1 378 B19R2.103463 Cc1ccc(c(c1)OCC2CCCC2)C(C)(C)C 34a_100000212021_100000740388 [0,1,0,0,0,0|2,0,1]=4 379 B19R2.103463 Cc1ccc(c(c1)OCC2CCCC2)C(C)(C)C 7a_100000212021_100000740388 [0,1,0,0,0,0|2,0,1]=4 380 B19R2.103463 Cc1ccc(c(c1)OCC2CCCO2)C(C)(C)C 7a_100000212021_100000203698 [0,1,0,0,0,0|2,0,1]=4 381 B19R2.103463 Cc1ccc(c(c1)OCC2OCCO2)C(C)(C)C 34a_100000212021_100000755774 [0,1,0,0,0,0|2,0,1]=4 382 B19R2.103463 Cc1ccc(c(c1)OCC2OCCO2)C(C)(C)C 7a_100000212021_100000755774 [0,1,0,0,0,0|2,0,1]=4 383 B19R2.103463 Cc1ccc(c(c1)OCc2c[nH]cn2)C(C)(C)C 34a_100000212021_100000707719 [0,1,0,0,0,0|2,0,1]=4 384 B19R2.103463 Cc1ccc(c(c1)OCc2ccn[nH]2)C(C)(C)C 34a_100000212021_100000728653 [0,1,0,0,0,0|2,0,1]=4 385 B19R2.103463 Cc1ccc(c(c1)OCc2ccn[nH]2)C(C)(C)C 7a_100000212021_100000728653 [0,1,0,0,0,0|2,0,1]=4 386 B19R2.103463 Cc1ccc(c(c1)OCc2ccon2)C(C)(C)C 34a_100000212021_100000234950 [0,1,0,0,0,0|2,0,1]=4 387 B19R2.103463 Cc1ccc(c(c1)OCc2ccon2)C(C)(C)C 7a_100000212021_100000234950 [0,1,0,0,0,0|2,0,1]=4 388 B19R2.103463 Cc1ccc(c(c1)OCc2cscn2)C(C)(C)C 34a_100000212021_100000205941 [0,1,0,0,0,0|2,0,1]=4 389 B19R2.103463 Cc1ccc(c(c1)OCc2cscn2)C(C)(C)C 7a_100000212021_100000205941 [0,1,0,0,0,0|2,0,1]=4 390 B19R2.103463 Cc1ccc(c(c1)OCc2ncc[nH]2)C(C)(C)C 34a_100000212021_100016991755 [0,1,0,0,0,0|0,0,2]=3 391 B19R2.103463 Cc1ccc(c(c1)OCc2ncc[nH]2)C(C)(C)C 7a_100000212021_100000753453 [0,1,0,0,0,0|0,0,2]=3 392 B19R2.103463 Cc1ccc(c(c1)OCc2ncco2)C(C)(C)C 34a_100000212021_103436540062 [0,1,0,0,0,0|1,0,2]=4 393 B19R2.103463 Cc1ccc(c(c1)OCc2ncco2)C(C)(C)C 7a_100000212021_103436540062 [0,1,0,0,0,0|1,0,2]=4 394 B19R2.103463 Cc1ccc(c(c1)OCc2nccs2)C(C)(C)C 34a_100000212021_100015184050 [0,1,0,0,0,0|1,0,2]=4 395 B19R2.103463 Cc1ccc(c(c1)OCc2nccs2)C(C)(C)C 7a_100000212021_100015184050 [0,1,0,0,0,0|1,0,2]=4 396 B19R2.103463 Cc1ccc(c(c1)OCc2ncon2)C(C)(C)C 34a_100000212021_100000233494 [0,1,0,0,0,0|1,0,2]=4 397 B19R2.103463 Cc1ccc(c(c1)OCc2nnn[nH]2)C(C)(C)C 34a_100000212021_100000765167 [0,1,0,0,0,0|2,0,0]=3 398 B19R2.103463 Cc1ccc(c(c1)OCc2nnn[nH]2)C(C)(C)C 7a_100000212021_100000765167 [0,1,0,0,0,0|2,0,0]=3 399 B19R2.103463 Cc1ccc(c(c1)SCC2=NCCN2)C(F)(F)F 62a_100000737910_100010238361 [0,1,0,0,0,0|2,1,0]=4 400 B19R2.103463 Cc1ccc(c(c1)SCC2=NCCN2)C(F)(F)F 62a_100010238361_100000737910 [0,1,0,0,0,0|2,1,0]=4 401 B19R2.103463 FC(F)(F)c1ccc(cc1OCC2=NCCN2)Br 34a_100000689231_100000737910 [0,1,0,0,0,0|3,0,0]=4 402 B19R2.103463 FC(F)(F)c1ccc(cc1OCC2=NCCN2)Br 7a_100000689231_100000737910 [0,1,0,0,0,0|3,0,0]=4 403 B19R2.103463 FC(F)(F)c1ccc(cc1OCC2=NCCN2)Cl 34a_200000104216_100000737910 [0,1,0,0,0,0|3,0,0]=4 404 B19R2.103463 FC(F)(F)c1ccc(cc1OCC2=NCCN2)Cl 7a_200000104216_100000737910 [0,1,0,0,0,0|3,0,0]=4 405 B19R2.103463 Fc1ccc(c(c1)OCC2=NCCN2)C(F)(F)F 34a_100000037662_100000737910 [0,1,0,0,0,0|3,0,0]=4 406 B19R2.103463 Fc1ccc(c(c1)OCC2=NCCN2)C(F)(F)F 7a_100000037662_100000737910 [0,1,0,0,0,0|3,0,0]=4 407 B19R2.103467 Cc1ccc(c(c1)OCc2ccnn2C)C(C)C 34a_100000185798_100000691648 [0,1,0,0,0,0|2,0,1]=4 408 B19R2.103467 Cc1ccc(c(c1)OCc2ccnn2C)C(C)C 7a_100000185798_100000691648 [0,1,0,0,0,0|2,0,1]=4 409 B19R2.103467 Cc1ccc(c(c1)OCc2nccn2C)C(C)C 34a_100000185798_100000700302 [0,1,0,0,0,0|0,0,2]=3 410 B19R2.103467 Cc1ccc(c(c1)OCc2nccn2C)C(C)C 7a_100000185798_100000700302 [0,1,0,0,0,0|0,0,2]=3 411 B19R2.103467 Cc1ccc(c(c1)OCc2ncoc2C)C(C)C 34a_100000185798_200000693990 [0,1,0,0,0,0|2,0,1]=4 412 B19R2.103467 Cc1ccc(c(c1)OCc2ncoc2C)C(C)C 7a_100000185798_200000693990 [0,1,0,0,0,0|2,0,1]=4 413 B19R2.103467 Cc1ccc(c(c1)OCc2nnsc2Cl)C(C)C 7a_100000185798_100000018852 [0,1,0,0,0,0|3,0,0]=4 414 B19R2.103467 Cc1ccc(c(c1)OCc2nonc2C)C(C)C 34a_100000185798_200000044682 [0,1,0,0,0,0|3,0,0]=4 415 B19R2.103467 Cc1ccc(c(c1)OCc2nonc2C)C(C)C 7a_100000185798_200000044682 [0,1,0,0,0,0|3,0,0]=4 416 B19R2.195890 CN(C)c1ccc(cc1SCC2=NCCN2)C=O 62a_100000737910_200011298039 [0,1,0,0,0,0|1,1,1]=4 417 B19R2.195890 CN(C)c1ccc(cc1SCC2=NCCN2)C=O 62a_200011298039_100000737910 [0,1,0,0,0,0|1,1,1]=4 418 B19R2.195890 COc1ccc(c(c1)NCC2=NCCN2)C(C)C 34a_100009963057_100000737910 [0,1,0,0,0,0|1,0,0]=2 419 B19R2.195890 COc1ccc(c(c1)NCC2=NCCN2)C(C)C 7a_100009963057_100000737910 [0,1,0,0,0,0|1,0,0]=2 420 B19R2.195890 COc1ccc(c(c1)NCc2ncc[nH]2)C(C)C 207a_100009963057_100000743867 [0,1,0,0,0,0|1,0,2]=4 421 B19R2.195890 COc1ccc(c(c1)NCc2ncc[nH]2)C(C)C 2230a_100009963057_100016991755 [0,1,0,0,0,0|1,0,2]=4 422 B19R2.195890 COc1ccc(c(c1)NCc2ncc[nH]2)C(C)C 34a_100009963057_100016991755 [0,1,0,0,0,0|1,0,2]=4 423 B19R2.195890 COc1ccc(c(c1)NCc2ncc[nH]2)C(C)C 7a_100009963057_100000753453 [0,1,0,0,0,0|1,0,2]=4 424 B19R2.195890 COc1ccc(c(c1)NCc2nnn[nH]2)C(C)C 34a_100009963057_100000765167 [0,1,0,0,0,0|3,0,0]=4 425 B19R2.195890 COc1ccc(c(c1)NCc2nnn[nH]2)C(C)C 7a_100009963057_100000765167 [0,1,0,0,0,0|3,0,0]=4 426 B19R2.195890 COc1ccc(c(c1)OCC2=NCCN2)C(=O)C 34a_100000185565_100000737910 [0,1,0,0,0,0|1,0,1]=3 427 B19R2.195890 COc1ccc(c(c1)OCC2=NCCN2)C(=O)C 7a_100000185565_100000737910 [0,1,0,0,0,0|1,0,1]=3 428 B19R2.195890 COc1ccc(c(c1)OCC2=NCCN2)C(=O)N 34a_100000185031_100000737910 [0,1,0,0,0,0|2,0,1]=4 429 B19R2.195890 COc1ccc(c(c1)OCC2=NCCN2)C(=O)N 7a_100000185031_100000737910 [0,1,0,0,0,0|2,0,1]=4 430 B19R2.195890 COc1ccc(c(c1)OCC2=NCCN2)[N+](=O)[O-] 34a_100011219805_100000737910 [0,1,0,0,0,0|3,0,0]=4 431 B19R2.195890 COc1ccc(c(c1)OCC2=NCCN2)[N+](=O)[O-] 7a_100011219805_100000737910 [0,1,0,0,0,0|3,0,0]=4 432 B19R2.195890 COc1ccc(c(c1)SCC2=NCCN2)C(=O)C 62a_100000697255_100000737910 [0,1,0,0,0,0|1,1,1]=4 433 B19R2.195890 COc1ccc(c(c1)SCC2=NCCN2)C(C)O 62a_100000697252_100000737910 [0,1,0,0,0,0|1,1,0]=3 434 B19R2.195890 COc1ccc(c(c1)SCC2=NCCN2)C(C)O 62a_100000737910_100000697252 [0,1,0,0,0,0|1,1,0]=3 435 B19R2.195890 COc1ccc(c(c1)SCC2=NCCN2)C(F)F 62a_100000737910_100010189948 [0,1,0,0,0,0|2,1,0]=4 436 B19R2.195890 COc1ccc(c(c1)SCC2=NCCN2)C(F)F 62a_100010189948_100000737910 [0,1,0,0,0,0|2,1,0]=4 437 B19R2.195890 O=[N+]([O-])c1ccc(cc1OCC2=NCCN2)CO 7a_100000723458_100000737910 [0,1,0,0,0,0|3,0,0]=4 438 B19R2.1327875 CCC(=O)c1ccc(cc1SCC2=NCCN2)C 62a_100000737910_200012349623 [0,1,0,0,0,0|1,1,1]=4 439 B19R2.1327875 CCC(=O)c1ccc(cc1SCC2=NCCN2)C 62a_200012349623_100000737910 [0,1,0,0,0,0|1,1,1]=4 440 B19R2.1327875 CNC(=O)c1ccc(cc1OCC2=NCCN2)N 34a_100000223174_100000737910 [0,1,0,0,0,0|2,0,1]=4 441 B19R2.1327875 CNC(=O)c1ccc(cc1OCC2=NCCN2)N 7a_100000223174_100000737910 [0,1,0,0,0,0|2,0,1]=4 442 B19R2.1327875 COC(=O)c1ccc(cc1OCC2=NCCN2)Br 34a_100000699699_100000737910 [0,1,0,0,0,0|2,0,1]=4 443 B19R2.1327875 COC(=O)c1ccc(cc1OCC2=NCCN2)Br 7a_100000699699_100000737910 [0,1,0,0,0,0|2,0,1]=4 444 B19R2.1327875 COC(=O)c1ccc(cc1OCC2=NCCN2)C 34a_100000148187_100000737910 [0,1,0,0,0,0|1,0,1]=3 445 B19R2.1327875 COC(=O)c1ccc(cc1OCC2=NCCN2)C 7a_100000148187_100000737910 [0,1,0,0,0,0|1,0,1]=3 446 B19R2.1327875 COC(=O)c1ccc(cc1OCC2=NCCN2)Cl 34a_100000151441_100000737910 [0,1,0,0,0,0|2,0,1]=4 447 B19R2.1327875 COC(=O)c1ccc(cc1OCC2=NCCN2)Cl 7a_100000151441_100000737910 [0,1,0,0,0,0|2,0,1]=4 448 B19R2.1327875 COC(=O)c1ccc(cc1OCC2=NCCN2)F 34a_100011216117_100000737910 [0,1,0,0,0,0|2,0,1]=4 449 B19R2.1327875 COC(=O)c1ccc(cc1OCC2=NCCN2)F 7a_100011216117_100000737910 [0,1,0,0,0,0|2,0,1]=4 450 B19R2.1327875 COC(=O)c1ccc(cc1OCC2=NCCN2)I 7a_100000062286_100000737910 [0,1,0,0,0,0|2,0,1]=4 451 B19R2.1327875 COC(=O)c1ccc(cc1OCC2=NCCN2)N 34a_100000718744_100000737910 [0,1,0,0,0,0|2,0,1]=4 452 B19R2.1327875 COC(=O)c1ccc(cc1OCC2=NCCN2)N 7a_100000718744_100000737910 [0,1,0,0,0,0|2,0,1]=4 453 B19R2.1327875 COC(=O)c1ccc(cc1SCC2=NCCN2)C 62a_100000737910_100012340597 [0,1,0,0,0,0|1,1,1]=4 454 B19R2.1327875 COC(=O)c1ccc(cc1SCC2=NCCN2)C 62a_100012340597_100000737910 [0,1,0,0,0,0|1,1,1]=4 455 B19R2.1327875 Cc1ccc(c(c1)OCC2=NCCN2)C(=O)NN 34a_100000193368_100000737910 [0,1,0,0,0,0|2,0,1]=4 456 B19R2.1327875 Cc1ccc(c(c1)OCC2=NCCN2)C(=O)NO 34a_200000199133_100000737910 [0,1,0,0,0,0|2,0,1]=4 457 B19R2.1327875 N[C@@H](CO)c1ccc(cc1OCC2=NCCN2)F 34a_100138412282_100000737910 [0,1,0,0,0,0|2,0,0]=3 458 B19R2.1327875 O=C(CBr)c1ccc(cc1OCC2=NCCN2)F 7a_100009817053_100000737910 [0,1,0,0,0,0|2,0,1]=4 459 B17R1.4132 CCCCOCOc1cc(ccc1C(C)C)C 34a_100000185798_100011995733 [0,0,1,0,0,0|3,0,0]=4 460 B17R1.4132 CCCOCCOc1cc(ccc1C(C)C)C 34a_100000185798_100011215938 [0,0,1,0,0,0|2,0,1]=4 461 B17R1.4132 CCCOCCOc1cc(ccc1C(C)C)C 7a_100000185798_100011215938 [0,0,1,0,0,0|2,0,1]=4 462 B17R1.4132 Cc1ccc(c(c1)OCCCCCF)C(C)C 34a_100000185798_100000729378 [0,0,1,0,0,0|2,0,1]=4 463 B17R1.4132 Cc1ccc(c(c1)OCCCCCF)C(C)C 7a_100000185798_100000729378 [0,0,1,0,0,0|2,0,1]=4 464 B17R1.4132 Cc1ccc(c(c1)OCCCCCO)C(C)C 34a_100000185798_100000746330 [0,0,1,0,0,0|2,0,1]=4 465 B17R1.4132 Cc1ccc(c(c1)OCCCCCO)C(C)C 7a_100000185798_100000746330 [0,0,1,0,0,0|2,0,1]=4 466 B17R1.4132 Cc1ccc(c(c1)OCCOCCO)C(C)C 34a_100000185798_100000692535 [0,0,1,0,0,0|2,0,1]=4 467 B17R1.4132 Cc1ccc(c(c1)OCCOCCO)C(C)C 7a_100000185798_100011215305 [0,0,1,0,0,0|2,0,1]=4 468 B17R1.4839 CCCC(=O)COc1cc(ccc1C(C)C)C 1458a_100000182424_100000210303 [0,0,1,0,0,0|2,0,0]=3 469 B17R1.4839 CCCC(=O)COc1cc(ccc1C(C)C)C 7a_100000185798_100000747444 [0,0,1,0,0,0|2,0,0]=3 470 B17R1.4839 CCCC(C)COc1cc(ccc1C(C)C)C 34a_100000185798_100011216630 [0,0,1,0,0,0|2,0,1]=4 471 B17R1.4839 CCCC(C)COc1cc(ccc1C(C)C)C 7a_100000185798_100011216630 [0,0,1,0,0,0|2,0,1]=4 472 B17R1.4839 CCNC(=O)CNc1cc(ccc1C(C)C)F 2230a_100012283353_100000183381 [0,0,1,0,0,0|3,0,0]=4 473 B17R1.4839 CCNC(=O)CNc1cc(ccc1C(C)C)F 34a_100012283353_100000183381 [0,0,1,0,0,0|3,0,0]=4 474 B17R1.4839 CCNC(=O)CNc1cc(ccc1C(C)C)F 7a_100012283353_100000183381 [0,0,1,0,0,0|3,0,0]=4 475 B17R1.4839 CCNC(=O)COc1cc(ccc1C(=O)C)C 34a_100000234885_100000183381 [0,0,1,0,0,0|2,0,1]=4 476 B17R1.4839 CCNC(=O)COc1cc(ccc1C(=O)C)C 7a_100000234885_100000183381 [0,0,1,0,0,0|2,0,1]=4 477 B17R1.4839 CCNC(=O)COc1cc(ccc1C(C)C)C 11a_100015525214_100000182424 [0,0,1,0,0,0|1,0,0]=2 478 B17R1.4839 CCNC(=O)COc1cc(ccc1C(C)C)C 240690a_100015525214_100000182424 [0,0,1,0,0,0|1,0,0]=2 479 B17R1.4839 CCNC(=O)COc1cc(ccc1C(C)C)C 34a_100000185798_100000183381 [0,0,1,0,0,0|1,0,0]=2 480 B17R1.4839 CCNC(=O)COc1cc(ccc1C(C)C)C 527a_100015525214_100000182424 [0,0,1,0,0,0|1,0,0]=2 481 B17R1.4839 CCNC(=O)COc1cc(ccc1C(C)C)C 7a_100000185798_100000183381 [0,0,1,0,0,0|1,0,0]=2 482 B17R1.4839 CCNC(=O)CSc1cc(ccc1N(C)C)C 62a_100000183381_100012353700 [0,0,1,0,0,0|2,1,0]=4 483 B17R1.4839 CCNC(=O)CSc1cc(ccc1N(C)C)C 62a_100012353700_100000183381 [0,0,1,0,0,0|2,1,0]=4 484 B17R1.4839 CCOC(=O)COc1cc(ccc1C(C)C)C 34a_100000185798_100000188475 [0,0,1,0,0,0|2,0,0]=3 485 B17R1.4839 CCOC(=O)COc1cc(ccc1C(C)C)C 7a_100000185798_100000188475 [0,0,1,0,0,0|2,0,0]=3 486 B17R1.4839 CNNC(=O)COc1cc(ccc1C(C)C)C 22a_100016993582_100000182424 [0,0,1,0,0,0|2,0,0]=3 487 B17R1.4839 Cc1ccc(c(c1)OCC(=O)CCF)C(C)C 1458a_100000182424_100011217306 [0,0,1,0,0,0|3,0,0]=4 488 B17R1.4839 Cc1ccc(c(c1)OCC(=O)CCO)C(C)C 1458a_100000182424_100000211926 [0,0,1,0,0,0|3,0,0]=4 489 B17R1.4839 Cc1ccc(c(c1)OCC(=O)NCO)C(C)C 34a_100000185798_100000185155 [0,0,1,0,0,0|2,0,0]=3 490 B17R1.4839 Cc1ccc(c(c1)OCC(=O)NCO)C(C)C 7a_100000185798_100000185155 [0,0,1,0,0,0|2,0,0]=3 491 B17R1.19756 CCC(CC)COc1cc(ccc1C(C)C)C 34a_100000185798_100011215472 [0,0,1,0,0,0|2,0,1]=4 492 B17R1.19756 CCC(CC)COc1cc(ccc1C(C)C)C 7a_100000185798_100011215472 [0,0,1,0,0,0|2,0,1]=4 493 B17R1.19756 COC(COc1cc(ccc1C(C)C)C)OC 34a_100000185798_100000211822 [0,0,1,0,0,0|2,0,1]=4 494 B17R1.19756 COC(COc1cc(ccc1C(C)C)C)OC 7a_100000185798_100000751394 [0,0,1,0,0,0|2,0,1]=4 495 B19R3.541241 Fc1ccc(c(c1)NCC2=NCCN2)C3CC3 34a_102515433052_100000737910 [0,0,0,1,0,0|2,0,0]=3 496 B19R3.541241 Fc1ccc(c(c1)NCC2=NCCN2)C3CC3 7a_102515433052_100000737910 [0,0,0,1,0,0|2,0,0]=3 497 B17R2.42580 Cc1ccc(c(c1)CN2CCCC2)C(C)C 26a_100000188435_100000185798 [0,0,0,0,1,0|3,0,0]=4 498 B17R2.42580 Cc1ccc(c(c1)OC2CCCC2)C(C)C 34a_100000185798_100000179811 [0,0,0,0,1,0|2,0,1]=4 499 B17R2.42580 Cc1ccc(c(c1)OC2CCCC2)C(C)C 7a_100000185798_100000179811 [0,0,0,0,1,0|2,0,1]=4 500 B17R2.157358 Cc1ccc(c(c1)OCC2CCC2)C(C)C 34a_100000185798_100000763275 [0,0,0,0,1,0|1,0,1]=3 501 B17R2.157358 Cc1ccc(c(c1)OCC2CCC2)C(C)C 7a_100000185798_100000763275 [0,0,0,0,1,0|1,0,1]=3 502 B17R2.157358 Cc1ccc(c(c1)OCC2CCO2)C(C)C 34a_100000185798_100000103362 [0,0,0,0,1,0|1,0,1]=3 503 B17R2.157358 Cc1ccc(c(c1)OCC2CCO2)C(C)C 7a_100000185798_100000103362 [0,0,0,0,1,0|1,0,1]=3 504 B17R2.157358 Cc1ccc(c(c1)OCC2COC2)C(C)C 34a_100000185798_100010264016 [0,0,0,0,1,0|2,0,1]=4 505 B17R2.157358 Cc1ccc(c(c1)OCC2COC2)C(C)C 7a_100000185798_100010264016 [0,0,0,0,1,0|2,0,1]=4 506 B19R2.103373 Cc1ccc(c(c1)OCC2CCCCO2)C(C)C 34a_100000185798_100000211543 [0,0,0,0,0,1|2,0,1]=4 507 B19R2.103373 Cc1ccc(c(c1)OCC2CCCCO2)C(C)C 7a_100000185798_100000211543 [0,0,0,0,0,1|2,0,1]=4 508 B19R2.103373 Cc1ccc(c(c1)OCC2CCCOC2)C(C)C 34a_100000185798_100000741521 [0,0,0,0,0,1|2,0,1]=4 509 B19R2.103373 Cc1ccc(c(c1)OCC2CCCOC2)C(C)C 7a_100000185798_100000741521 [0,0,0,0,0,1|2,0,1]=4 510 B19R2.103373 Cc1ccc(c(c1)OCC2CCOCC2)C(C)C 34a_100000185798_100000754603 [0,0,0,0,0,1|2,0,1]=4 511 B19R2.103373 Cc1ccc(c(c1)OCC2CCOCC2)C(C)C 7a_100000185798_100000754603 [0,0,0,0,0,1|2,0,1]=4 512 B19R2.103373 Cc1ccc(c(c1)OCc2ccccn2)C(C)C 34a_100000185798_100000721315 [0,0,0,0,0,1|1,0,2]=4 513 B19R2.103373 Cc1ccc(c(c1)OCc2ccccn2)C(C)C 7a_100000185798_100000721315 [0,0,0,0,0,1|1,0,2]=4 514 B19R2.103373 Cc1ccc(c(c1)OCc2cccnc2)C(C)C 34a_100000185798_100000733263 [0,0,0,0,0,1|1,0,2]=4 515 B19R2.103373 Cc1ccc(c(c1)OCc2cccnc2)C(C)C 7a_100000185798_100000741622 [0,0,0,0,0,1|1,0,2]=4 516 B19R2.103373 Cc1ccc(c(c1)OCc2cccnn2)C(C)C 34a_100000185798_100016990269 [0,0,0,0,0,1|1,0,2]=4 517 B19R2.103373 Cc1ccc(c(c1)OCc2cccnn2)C(C)C 7a_100000185798_100016990269 [0,0,0,0,0,1|1,0,2]=4 518 B19R2.103373 Cc1ccc(c(c1)OCc2cnccn2)C(C)C 34a_100000185798_100016995436 [0,0,0,0,0,1|0,0,3]=4 519 B19R2.103373 Cc1ccc(c(c1)OCc2cnccn2)C(C)C 7a_100000185798_100016995436 [0,0,0,0,0,1|0,0,3]=4 520 B19R2.103373 Cc1ccc(c(c1)OCc2cncnc2)C(C)C 34a_100000185798_100015196519 [0,0,0,0,0,1|2,0,1]=4 521 B19R2.103373 Cc1ccc(c(c1)OCc2cncnc2)C(C)C 7a_100000185798_100015196519 [0,0,0,0,0,1|2,0,1]=4 522 B19R2.103373 Cc1ccc(c(c1)OCc2ncccn2)C(C)C 34a_100000185798_100000703007 [0,0,0,0,0,1|0,0,3]=4 523 B19R2.103373 Cc1ccc(c(c1)OCc2ncccn2)C(C)C 7a_100000185798_100000703007 [0,0,0,0,0,1|0,0,3]=4 524 B19R2.103443 Cc1ccc(c(c1)COCC2=NCCN2)[N+](=O)[O-] 7a_100000038506_100000737910 [0,0,0,0,0,1|3,0,0]=4 525 B19R2.103443 Cc1ccc(c(c1)OCCC2OCCO2)C(C)C 34a_100000185798_100000740749 [0,0,0,0,0,1|2,0,1]=4 526 B19R2.103443 Cc1ccc(c(c1)OCCC2OCCO2)C(C)C 7a_100000185798_100000740749 [0,0,0,0,0,1|2,0,1]=4 527 B19R2.103443 Cc1ccc(c(c1)OCCN2CCCC2)C(C)C 7a_100000185798_100000004467 [0,0,0,0,0,1|3,0,0]=4 528 B19R2.103443 Cc1ccc(c(c1)OCCc2c[nH]cn2)C(C)C 7a_100000185798_100020628418 [0,0,0,0,0,1|2,0,1]=4 529 B19R2.103443 Cc1ccc(c(c1)OCCc2nnn[nH]2)C(C)C 7a_100000185798_100000031946 [0,0,0,0,0,1|2,0,0]=3 530 B19R2.103465 CC(=O)Nc1ccc(cc1NCC2=NCCN2)C 34a_100000750913_100000737910 [0,0,0,0,0,1|2,0,1]=4 531 B19R2.103465 CC(=O)Nc1ccc(cc1NCC2=NCCN2)C 7a_100000750913_100000737910 [0,0,0,0,0,1|2,0,1]=4 532 B19R2.103465 CC(=O)Nc1ccc(cc1OCC2=NCCN2)C 34a_100000161862_100000737910 [0,0,0,0,0,1|1,0,1]=3 533 B19R2.103465 CC(=O)Nc1ccc(cc1OCC2=NCCN2)C 7a_100000161862_100000737910 [0,0,0,0,0,1|1,0,1]=3 534 B19R2.103465 CC(=O)Nc1ccc(cc1SCC2=NCCN2)C 62a_100000737910_100000152032 [0,0,0,0,0,1|1,1,1]=4 535 B19R2.103465 CC(C)Oc1ccc(cc1NCC2=NCCN2)Br 34a_100000690130_100000737910 [0,0,0,0,0,1|2,0,0]=3 536 B19R2.103465 CC(C)Oc1ccc(cc1NCC2=NCCN2)Br 7a_100000690130_100000737910 [0,0,0,0,0,1|2,0,0]=3 537 B19R2.103465 CC(C)Oc1ccc(cc1NCC2=NCCN2)Cl 34a_100000732564_100000737910 [0,0,0,0,0,1|2,0,0]=3 538 B19R2.103465 CC(C)Oc1ccc(cc1NCC2=NCCN2)Cl 7a_100000732564_100000737910 [0,0,0,0,0,1|2,0,0]=3 539 B19R2.103465 CC(C)Oc1ccc(cc1NCC2=NCCN2)F 34a_100000750502_100000737910 [0,0,0,0,0,1|2,0,0]=3 540 B19R2.103465 CC(C)Oc1ccc(cc1NCC2=NCCN2)F 7a_100000750502_100000737910 [0,0,0,0,0,1|2,0,0]=3 541 B19R2.103465 CC(C)Oc1ccc(cc1SCC2=NCCN2)F 62a_100000171696_100000737910 [0,0,0,0,0,1|1,1,0]=3 542 B19R2.103465 CC(C)Oc1ccc(cc1SCC2=NCCN2)F 62a_100000737910_100000171696 [0,0,0,0,0,1|1,1,0]=3 543 B19R2.103465 CC(C)Oc1ccc(cc1SCC2=NCCN2)N 62a_100000737910_200000706018 [0,0,0,0,0,1|1,1,0]=3 544 B19R2.103465 CC(C)Oc1ccc(cc1SCC2=NCCN2)N 62a_200000706018_100000737910 [0,0,0,0,0,1|1,1,0]=3 545 B19R2.103465 CC(C)Oc1ncc(cc1SCC2=NCCN2)Br 62a_100000737910_200010177600 [0,0,0,0,0,1|2,1,0]=4 546 B19R2.103465 CC(C)Oc1ncc(cc1SCC2=NCCN2)Br 62a_200010177600_100000737910 [0,0,0,0,0,1|2,1,0]=4 547 B19R2.103465 CC(C)Sc1ccc(cc1NCC2=NCCN2)Cl 34a_100000752209_100000737910 [0,0,0,0,0,1|2,0,0]=3 548 B19R2.103465 Cc1ccc(c(c1)NCC2=NCCN2)OC(C)C 34a_200103155816_100000737910 [0,0,0,0,0,1|1,0,0]=2 549 B19R2.103465 Cc1ccc(c(c1)NCC2=NCCN2)OC(C)C 7a_200103155816_100000737910 [0,0,0,0,0,1|1,0,0]=2 550 B19R2.103465 Cc1ccc(c(c1)NCC2=NCCN2)OC(F)F 34a_100011450363_100000737910 [0,0,0,0,0,1|3,0,0]=4 551 B19R2.103465 Cc1ccc(c(c1)NCC2=NCCN2)OC(F)F 7a_100011450363_100000737910 [0,0,0,0,0,1|3,0,0]=4 552 B19R2.103465 Cc1ccc(c(c1)NCc2ncc[nH]2)OC(C)C 207a_200103155816_100000743867 [0,0,0,0,0,1|1,0,2]=4 553 B19R2.103465 Cc1ccc(c(c1)NCc2ncc[nH]2)OC(C)C 2230a_200103155816_100016991755 [0,0,0,0,0,1|1,0,2]=4 554 B19R2.103465 Cc1ccc(c(c1)NCc2ncc[nH]2)OC(C)C 34a_200103155816_100016991755 [0,0,0,0,0,1|1,0,2]=4 555 B19R2.103465 Cc1ccc(c(c1)NCc2ncc[nH]2)OC(C)C 7a_200103155816_100000753453 [0,0,0,0,0,1|1,0,2]=4 556 B19R2.103465 Cc1ccc(c(c1)NCc2nnn[nH]2)OC(C)C 34a_200103155816_100000765167 [0,0,0,0,0,1|3,0,0]=4 557 B19R2.103465 Cc1ccc(c(c1)NCc2nnn[nH]2)OC(C)C 7a_200103155816_100000765167 [0,0,0,0,0,1|3,0,0]=4 558 B19R2.103465 Cc1ccc(c(c1)OCC2CCCO2)NC(C)C 34a_100000743854_100000210206 [0,0,0,0,0,1|2,0,1]=4 559 B19R2.103465 Cc1ccc(c(c1)OCC2CCCO2)NC(C)C 7a_100000743854_100000210206 [0,0,0,0,0,1|2,0,1]=4 560 B19R2.103465 Cc1cnc(c(c1)SCC2=NCCN2)OC(C)C 62a_100000737910_200012348018 [0,0,0,0,0,1|1,1,0]=3 561 B19R2.103465 Cc1cnc(c(c1)SCC2=NCCN2)OC(C)C 62a_200012348018_100000737910 [0,0,0,0,0,1|1,1,0]=3 562 B16R1.241 CC/C=C\COc1cc(ccc1C(C)C)C 34a_100000185798_100103147603 [1,0,1,0,0,0|1,0,0]=3 563 B16R1.241 CC/C=C\COc1cc(ccc1C(C)C)C 7a_100000185798_100103147603 [1,0,1,0,0,0|1,0,0]=3 564 B16R1.241 CCC#CCOc1cc(ccc1C(C)C)C 34a_100000185798_100009813939 [1,0,1,0,0,0|1,0,1]=4 565 B16R1.241 CCC#CCOc1cc(ccc1C(C)C)C 7a_100000185798_100009813939 [1,0,1,0,0,0|1,0,1]=4 566 B16R1.241 CCCCCOc1cc(ccc1C(C)C)C 34a_100000185798_100000718602 [1,0,1,0,0,0|1,0,1]=4 567 B16R1.241 CCCCCOc1cc(ccc1C(C)C)C 7a_100000185798_100000210326 [1,0,1,0,0,0|1,0,1]=4 568 B16R1.241 CCOCCOc1cc(ccc1C(C)C)C 34a_100000185798_100000210147 [1,0,1,0,0,0|1,0,1]=4 569 B16R1.241 CCOCCOc1cc(ccc1C(C)C)C 7a_100000185798_100011215890 [1,0,1,0,0,0|1,0,1]=4 570 B16R1.241 CCSCCOc1cc(ccc1C(C)C)C 34a_100000185798_100000757381 [1,0,1,0,0,0|1,0,1]=4 571 B16R1.241 CCSCCOc1cc(ccc1C(C)C)C 7a_100000185798_100000757381 [1,0,1,0,0,0|1,0,1]=4 572 B16R1.241 Cc1ccc(c(c1)OCCCCF)C(C)C 34a_100000185798_100000729493 [1,0,1,0,0,0|1,0,1]=4 573 B16R1.241 Cc1ccc(c(c1)OCCCCF)C(C)C 7a_100000185798_100000729493 [1,0,1,0,0,0|1,0,1]=4 574 B16R1.241 Cc1ccc(c(c1)OCCCCO)C(C)C 34a_100000185798_100011216708 [1,0,1,0,0,0|1,0,1]=4 575 B16R1.241 Cc1ccc(c(c1)OCCCCO)C(C)C 7a_100000185798_100000210776 [1,0,1,0,0,0|1,0,1]=4 576 B16R1.3900 CC(C)c1ccccc1OCCNCCF 2230a_100000754683_100011217306 [1,0,1,0,0,0|1,0,1]=4 577 B16R1.3900 CC(C)c1ccccc1OCCNCCF 34a_100000754683_100011217306 [1,0,1,0,0,0|1,0,1]=4 578 B16R1.3900 CC(C)c1ccccc1OCCNCCO 2230a_100000754683_100000211926 [1,0,1,0,0,0|1,0,1]=4 579 B16R1.3900 CC(C)c1ccccc1OCCNCCO 34a_100000754683_100000211926 [1,0,1,0,0,0|1,0,1]=4 580 B16R1.3900 CCCNCCOc1ccccc1C(C)C 2230a_100000754683_100000210303 [1,0,1,0,0,0|1,0,1]=4 581 B16R1.3900 CCCNCCOc1ccccc1C(C)C 34a_100000754683_100000210303 [1,0,1,0,0,0|1,0,1]=4 582 B16R1.1302 CCC(=O)COc1cc(ccc1C(C)C)C 1458a_100000182424_100000210202 [1,0,1,0,0,0|1,0,0]=3 583 B16R1.1302 CCC(=O)COc1cc(ccc1C(C)C)C 7a_100000185798_100000747405 [1,0,1,0,0,0|1,0,0]=3 584 B16R1.1302 CCC(C)COc1cc(ccc1C(C)C)C 34a_100000185798_100000748023 [1,0,1,0,0,0|1,0,1]=4 585 B16R1.1302 CCC(C)COc1cc(ccc1C(C)C)C 7a_100000185798_100000748023 [1,0,1,0,0,0|1,0,1]=4 586 B16R1.1302 CCC(O)COc1cc(ccc1C(C)C)C 34a_100000185798_100011218378 [1,0,1,0,0,0|1,0,1]=4 587 B16R1.1302 CCC(O)COc1cc(ccc1C(C)C)C 7a_100000185798_100011218378 [1,0,1,0,0,0|1,0,1]=4 588 B16R1.1302 CC[C@H](C)COc1cc(ccc1C(C)C)C 34a_100000185798_100009816398 [1,0,1,0,0,0|1,0,1]=4 589 B16R1.1302 CC[C@H](C)COc1cc(ccc1C(C)C)C 7a_100000185798_100009816398 [1,0,1,0,0,0|1,0,1]=4 590 B16R1.1302 CNC(=O)COc1cc(ccc1C(C)C)C 11a_106832991635_100000182424 [1,0,1,0,0,0|1,0,0]=3 591 B16R1.1302 CNC(=O)COc1cc(ccc1C(C)C)C 1626a_100102657272_100000182424 [1,0,1,0,0,0|1,0,0]=3 592 B16R1.1302 CNC(=O)COc1cc(ccc1C(C)C)C 240690a_100102657272_100000182424 [1,0,1,0,0,0|1,0,0]=3 593 B16R1.1302 CNC(=O)COc1cc(ccc1C(C)C)C 34a_100000185798_100000183359 [1,0,1,0,0,0|1,0,0]=3 594 B16R1.1302 CNC(=O)COc1cc(ccc1C(C)C)C 527a_100102657272_100000182424 [1,0,1,0,0,0|1,0,0]=3 595 B16R1.1302 CNC(=O)COc1cc(ccc1C(C)C)C 7a_100000185798_100000183359 [1,0,1,0,0,0|1,0,0]=3 596 B16R1.1302 COC(=O)COc1cc(ccc1C(C)C)C 34a_100000185798_100000747449 [1,0,1,0,0,0|2,0,0]=4 597 B16R1.1302 COC(=O)COc1cc(ccc1C(C)C)C 7a_100000185798_100000747449 [1,0,1,0,0,0|2,0,0]=4 598 B16R1.1302 Cc1ccc(c(c1)OCC(=O)CF)C(C)C 1458a_100000182424_100015361967 [1,0,1,0,0,0|2,0,0]=4 599 B16R1.4430 CCNC(=O)COc1cc(ccc1OC)C 34a_100011216497_100000183381 [1,0,1,0,0,0|2,0,0]=4 600 B16R1.4430 CCNC(=O)COc1cc(ccc1OC)C 7a_100011216497_100000183381 [1,0,1,0,0,0|2,0,0]=4 601 B16R1.4440 CC(C)c1ccccc1OCC(=O)NCO 34a_100000211617_100000185155 [1,0,1,0,0,0|2,0,0]=4 602 B16R1.4440 CC(C)c1ccccc1OCC(=O)NCO 7a_100000211617_100000185155 [1,0,1,0,0,0|2,0,0]=4 603 B16R1.4440 CCCC(=O)COc1ccccc1C(C)C 1458a_100000183894_100000210303 [1,0,1,0,0,0|2,0,0]=4 604 B16R1.4440 CCCC(=O)COc1ccccc1C(C)C 7a_100000211617_100000747444 [1,0,1,0,0,0|2,0,0]=4 605 B16R1.4440 CCNC(=O)CNc1ccccc1C(C)C 2230a_100000210643_100000183381 [1,0,1,0,0,0|2,0,0]=4 606 B16R1.4440 CCNC(=O)CNc1ccccc1C(C)C 34a_100000210643_100000183381 [1,0,1,0,0,0|2,0,0]=4 607 B16R1.4440 CCNC(=O)CNc1ccccc1C(C)C 7a_100000210643_100000183381 [1,0,1,0,0,0|2,0,0]=4 608 B16R1.4440 CCNC(=O)COc1ccccc1C(C)C 11a_100015525214_100000183894 [1,0,1,0,0,0|1,0,0]=3 609 B16R1.4440 CCNC(=O)COc1ccccc1C(C)C 240690a_100015525214_100000183894 [1,0,1,0,0,0|1,0,0]=3 610 B16R1.4440 CCNC(=O)COc1ccccc1C(C)C 34a_100000211617_100000183381 [1,0,1,0,0,0|1,0,0]=3 611 B16R1.4440 CCNC(=O)COc1ccccc1C(C)C 527a_100015525214_100000183894 [1,0,1,0,0,0|1,0,0]=3 612 B16R1.4440 CCNC(=O)COc1ccccc1C(C)C 7a_100000211617_100000183381 [1,0,1,0,0,0|1,0,0]=3 613 B16R1.4440 CCNC(=O)COc1ccccc1C(C)O 34a_200011232679_100000183381 [1,0,1,0,0,0|2,0,0]=4 614 B16R1.4440 CCNC(=O)COc1ccccc1C(C)O 7a_200011232679_100000183381 [1,0,1,0,0,0|2,0,0]=4 615 B16R1.4440 CCNC(=O)COc1ccccc1[C@@H](C)N 34a_100025703389_100000183381 [1,0,1,0,0,0|2,0,0]=4 616 B16R1.4440 CCNC(=O)COc1cccnc1C(C)C 34a_100012183336_100000183381 [1,0,1,0,0,0|2,0,0]=4 617 B16R1.4440 CCNC(=O)COc1cccnc1C(C)C 7a_100012183336_100000183381 [1,0,1,0,0,0|2,0,0]=4 618 B16R1.4440 CCNC(=O)CSc1ccccc1C(C)C 62a_100000183381_100000708600 [1,0,1,0,0,0|1,1,0]=4 619 B16R1.4440 CCNC(=O)CSc1ccccc1C(C)C 62a_100000708600_100000183381 [1,0,1,0,0,0|1,1,0]=4 620 B16R1.4440 CCOC(=O)COc1ccccc1C(C)C 34a_100000211617_100000188475 [1,0,1,0,0,0|2,0,0]=4 621 B16R1.4440 CCOC(=O)COc1ccccc1C(C)C 7a_100000211617_100000188475 [1,0,1,0,0,0|2,0,0]=4 622 B16R1.4440 CNNC(=O)COc1ccccc1C(C)C 22a_100016993582_100000183894 [1,0,1,0,0,0|2,0,0]=4 623 B16R2.1480 BrCc1ncccc1OCC2=NCCN2 34a_200020655725_100000737910 [2,0,0,0,0,0|2,0,0]=4 624 B16R2.1480 BrCc1ncccc1OCC2=NCCN2 7a_200020655725_100000737910 [2,0,0,0,0,0|2,0,0]=4 625 B16R2.1480 C#Cc1ccccc1OCC2=NCCN2 34a_200011470546_100000737910 [2,0,0,0,0,0|0,0,2]=4 626 B16R2.1480 C#Cc1ccccc1OCC2=NCCN2 7a_200011470546_100000737910 [2,0,0,0,0,0|0,0,2]=4 627 B16R2.1480 CCc1ccccc1NCC2=NCCN2 34a_100000212081_100000737910 [2,0,0,0,0,0|1,0,0]=3 628 B16R2.1480 CCc1ccccc1NCC2=NCCN2 7a_100000212081_100000737910 [2,0,0,0,0,0|1,0,0]=3 629 B16R2.1480 CCc1ccccc1OCC2=NCCN2 34a_100000210936_100000737910 [2,0,0,0,0,0|0,0,0]=2 630 B16R2.1480 CCc1ccccc1OCC2=NCCN2 7a_100000210936_100000737910 [2,0,0,0,0,0|0,0,0]=2 631 B16R2.1480 CCc1ccccc1OCc2ncc[nH]2 34a_100000210936_100016991755 [2,0,0,0,0,0|0,0,2]=4 632 B16R2.1480 CCc1ccccc1OCc2ncc[nH]2 7a_100000210936_100000753453 [2,0,0,0,0,0|0,0,2]=4 633 B16R2.1480 CCc1ccccc1OCc2nnn[nH]2 34a_100000210936_100000765167 [2,0,0,0,0,0|2,0,0]=4 634 B16R2.1480 CCc1ccccc1OCc2nnn[nH]2 7a_100000210936_100000765167 [2,0,0,0,0,0|2,0,0]=4 635 B16R2.1480 CCc1ccccc1SCC2=NCCN2 62a_100000737910_100011215823 [2,0,0,0,0,0|0,1,0]=3 636 B16R2.1480 CCc1ccccc1SCC2=NCCN2 62a_100011215823_100000737910 [2,0,0,0,0,0|0,1,0]=3 637 B16R2.1480 CCc1ccncc1SCC2=NCCN2 62a_100000737910_100009819861 [2,0,0,0,0,0|1,1,0]=4 638 B16R2.1480 CCc1ccncc1SCC2=NCCN2 62a_100009819861_100000737910 [2,0,0,0,0,0|1,1,0]=4 639 B16R2.1480 CCc1cnccc1SCC2=NCCN2 62a_100000737910_100025704421 [2,0,0,0,0,0|1,1,0]=4 640 B16R2.1480 CCc1cnccc1SCC2=NCCN2 62a_100025704421_100000737910 [2,0,0,0,0,0|1,1,0]=4 641 B16R2.1480 CCc1ncccc1SCC2=NCCN2 62a_100000737910_100009877225 [2,0,0,0,0,0|1,1,0]=4 642 B16R2.1480 CCc1ncccc1SCC2=NCCN2 62a_100009877225_100000737910 [2,0,0,0,0,0|1,1,0]=4 643 B16R2.1480 CNc1ccccc1OCC2=NCCN2 34a_100000033821_100000737910 [2,0,0,0,0,0|1,0,0]=3 644 B16R2.1480 CNc1ccccc1SCC2=NCCN2 62a_100000737910_100020606079 [2,0,0,0,0,0|1,1,0]=4 645 B16R2.1480 CNc1ccccc1SCC2=NCCN2 62a_100020606079_100000737910 [2,0,0,0,0,0|1,1,0]=4 646 B16R2.1480 COc1ccccc1NCC2=NCCN2 34a_100000210025_100000737910 [2,0,0,0,0,0|2,0,0]=4 647 B16R2.1480 COc1ccccc1OCC2=NCCN2 34a_100000210385_100000737910 [2,0,0,0,0,0|1,0,0]=3 648 B16R2.1480 COc1ccccc1SCC2=NCCN2 62a_100000210334_100000737910 [2,0,0,0,0,0|1,1,0]=4 649 B16R2.1480 COc1ccccc1SCC2=NCCN2 62a_100000737910_100000210334 [2,0,0,0,0,0|1,1,0]=4 650 B16R2.1480 COc1cccnc1OCC2=NCCN2 34a_100025773188_100000737910 [2,0,0,0,0,0|2,0,0]=4 651 B16R2.1480 COc1ccncc1OCC2=NCCN2 34a_100000101186_100000737910 [2,0,0,0,0,0|2,0,0]=4 652 B16R2.1480 COc1ncccc1OCC2=NCCN2 34a_100000698397_100000737910 [2,0,0,0,0,0|2,0,0]=4 653 B16R2.1480 COc1ncccc1OCC2=NCCN2 7a_100000698397_100000737910 [2,0,0,0,0,0|2,0,0]=4 654 B16R2.1480 CSc1ccccc1NCC2=NCCN2 34a_100000211160_100000737910 [2,0,0,0,0,0|2,0,0]=4 655 B16R2.1480 CSc1ccccc1OCC2=NCCN2 34a_100011216402_100000737910 [2,0,0,0,0,0|1,0,0]=3 656 B16R2.1480 CSc1ccccc1SCC2=NCCN2 62a_100000737910_100011217816 [2,0,0,0,0,0|1,1,0]=4 657 B16R2.1480 CSc1ccccc1SCC2=NCCN2 62a_100011217816_100000737910 [2,0,0,0,0,0|1,1,0]=4 658 B16R2.1480 N#Cc1ccccc1OCC2=NCCN2 34a_100000211048_100000737910 [2,0,0,0,0,0|1,0,1]=4 659 B16R2.1480 N#Cc1ccccc1OCC2=NCCN2 7a_100000211048_100000737910 [2,0,0,0,0,0|1,0,1]=4 660 B16R2.1480 NCc1ccccc1OCC2=NCCN2 34a_100000185550_100000737910 [2,0,0,0,0,0|1,0,0]=3 661 B16R2.1480 NCc1ccccc1SCC2=NCCN2 62a_100000689332_100000737910 [2,0,0,0,0,0|1,1,0]=4 662 B16R2.1480 NCc1ccccc1SCC2=NCCN2 62a_100000737910_100000689332 [2,0,0,0,0,0|1,1,0]=4 663 B16R2.1480 OCc1ccccc1NCC2=NCCN2 34a_100000212039_100000737910 [2,0,0,0,0,0|2,0,0]=4 664 B16R2.1480 OCc1ccccc1OCC2=NCCN2 34a_100011216872_100000737910 [2,0,0,0,0,0|1,0,0]=3 665 B16R2.1480 OCc1ccccc1SCC2=NCCN2 62a_100000187465_100000737910 [2,0,0,0,0,0|1,1,0]=4 666 B16R2.1480 OCc1ccccc1SCC2=NCCN2 62a_100000737910_100000187465 [2,0,0,0,0,0|1,1,0]=4 667 B16R2.1480 OCc1ccncc1OCC2=NCCN2 34a_100000078615_100000737910 [2,0,0,0,0,0|2,0,0]=4 668 B16R2.1480 OCc1ncccc1OCC2=NCCN2 34a_100000731849_100000737910 [2,0,0,0,0,0|2,0,0]=4 669 B16R2.12623 Brc1ccc(c(c1)OCC2=NCCN2)Br 34a_100011220040_100000737910 [2,0,0,0,0,0|2,0,0]=4 670 B16R2.12623 Brc1ccc(c(c1)OCC2=NCCN2)Br 7a_100011220040_100000737910 [2,0,0,0,0,0|2,0,0]=4 671 B16R2.12623 Brc1ccc(c(c1)OCC2=NCCN2)I 34a_100012344904_100000737910 [2,0,0,0,0,0|2,0,0]=4 672 B16R2.12623 Brc1ccc(c(c1)OCC2=NCCN2)I 7a_100012344904_100000737910 [2,0,0,0,0,0|2,0,0]=4 673 B16R2.12623 Brc1ccc(cc1OCC2=NCCN2)I 34a_100012356990_100000737910 [2,0,0,0,0,0|2,0,0]=4 674 B16R2.12623 Brc1ccc(cc1OCC2=NCCN2)I 7a_100012356990_100000737910 [2,0,0,0,0,0|2,0,0]=4 675 B16R2.12623 Cc1cc(c(cn1)Br)OCC2=NCCN2 34a_100011016184_100000737910 [2,0,0,0,0,0|2,0,0]=4 676 B16R2.12623 Cc1cc(c(cn1)C)SCC2=NCCN2 62a_100000737910_100009862788 [2,0,0,0,0,0|1,1,0]=4 677 B16R2.12623 Cc1cc(c(cn1)C)SCC2=NCCN2 62a_100009862788_100000737910 [2,0,0,0,0,0|1,1,0]=4 678 B16R2.12623 Cc1ccc(c(c1)NCC2=NCCN2)Br 34a_100000745044_100000737910 [2,0,0,0,0,0|2,0,0]=4 679 B16R2.12623 Cc1ccc(c(c1)NCC2=NCCN2)C 34a_100000185781_100000737910 [2,0,0,0,0,0|1,0,0]=3 680 B16R2.12623 Cc1ccc(c(c1)NCC2=NCCN2)C 7a_100000185781_100000737910 [2,0,0,0,0,0|1,0,0]=3 681 B16R2.12623 Cc1ccc(c(c1)NCC2=NCCN2)Cl 34a_100011215360_100000737910 [2,0,0,0,0,0|2,0,0]=4 682 B16R2.12623 Cc1ccc(c(c1)NCC2=NCCN2)F 34a_100000211285_100000737910 [2,0,0,0,0,0|2,0,0]=4 683 B16R2.12623 Cc1ccc(c(c1)NCC2=NCCN2)I 34a_100011216686_100000737910 [2,0,0,0,0,0|2,0,0]=4 684 B16R2.12623 Cc1ccc(c(c1)NCC2=NCCN2)O 34a_100011215204_100000737910 [2,0,0,0,0,0|2,0,0]=4 685 B16R2.12623 Cc1ccc(c(c1)OCC2=NCCN2)Br 34a_100012002257_100000737910 [2,0,0,0,0,0|1,0,0]=3 686 B16R2.12623 Cc1ccc(c(c1)OCC2=NCCN2)Br 7a_100012002257_100000737910 [2,0,0,0,0,0|1,0,0]=3 687 B16R2.12623 Cc1ccc(c(c1)OCC2=NCCN2)C 34a_100000210931_100000737910 [2,0,0,0,0,0|0,0,0]=2 688 B16R2.12623 Cc1ccc(c(c1)OCC2=NCCN2)C 7a_100000210931_100000737910 [2,0,0,0,0,0|0,0,0]=2 689 B16R2.12623 Cc1ccc(c(c1)OCC2=NCCN2)Cl 34a_100000211493_100000737910 [2,0,0,0,0,0|1,0,0]=3 690 B16R2.12623 Cc1ccc(c(c1)OCC2=NCCN2)Cl 7a_100000211493_100000737910 [2,0,0,0,0,0|1,0,0]=3 691 B16R2.12623 Cc1ccc(c(c1)OCC2=NCCN2)F 34a_100000759540_100000737910 [2,0,0,0,0,0|1,0,0]=3 692 B16R2.12623 Cc1ccc(c(c1)OCC2=NCCN2)F 7a_100000759540_100000737910 [2,0,0,0,0,0|1,0,0]=3 693 B16R2.12623 Cc1ccc(c(c1)OCC2=NCCN2)N 34a_100000211527_100000737910 [2,0,0,0,0,0|1,0,0]=3 694 B16R2.12623 Cc1ccc(c(c1)OCC2=NCCN2)N 7a_100000211527_100000737910 [2,0,0,0,0,0|1,0,0]=3 695 B16R2.12623 Cc1ccc(c(c1)OCc2ncc[nH]2)C 34a_100000210931_100016991755 [2,0,0,0,0,0|0,0,2]=4 696 B16R2.12623 Cc1ccc(c(c1)OCc2ncc[nH]2)C 7a_100000210931_100000753453 [2,0,0,0,0,0|0,0,2]=4 697 B16R2.12623 Cc1ccc(c(c1)OCc2nnn[nH]2)C 34a_100000210931_100000765167 [2,0,0,0,0,0|2,0,0]=4 698 B16R2.12623 Cc1ccc(c(c1)OCc2nnn[nH]2)C 7a_100000210931_100000765167 [2,0,0,0,0,0|2,0,0]=4 699 B16R2.12623 Cc1ccc(c(c1)SCC2=NCCN2)Br 62a_100000737910_100012353751 [2,0,0,0,0,0|1,1,0]=4 700 B16R2.12623 Cc1ccc(c(c1)SCC2=NCCN2)Br 62a_100012353751_100000737910 [2,0,0,0,0,0|1,1,0]=4 701 B16R2.12623 Cc1ccc(c(c1)SCC2=NCCN2)C 62a_100000210833_100000737910 [2,0,0,0,0,0|0,1,0]=3 702 B16R2.12623 Cc1ccc(c(c1)SCC2=NCCN2)C 62a_100000737910_100000210833 [2,0,0,0,0,0|0,1,0]=3 703 B16R2.12623 Cc1ccc(c(c1)SCC2=NCCN2)Cl 62a_100000737910_100012356289 [2,0,0,0,0,0|1,1,0]=4 704 B16R2.12623 Cc1ccc(c(c1)SCC2=NCCN2)Cl 62a_100012356289_100000737910 [2,0,0,0,0,0|1,1,0]=4 705 B16R2.12623 Cc1ccc(c(c1)SCC2=NCCN2)F 62a_100000736223_100000737910 [2,0,0,0,0,0|1,1,0]=4 706 B16R2.12623 Cc1ccc(c(c1)SCC2=NCCN2)F 62a_100000737910_100000736223 [2,0,0,0,0,0|1,1,0]=4 707 B16R2.12623 Cc1ccc(c(c1)SCC2=NCCN2)N 62a_100000737910_100011356834 [2,0,0,0,0,0|1,1,0]=4 708 B16R2.12623 Cc1ccc(c(c1)SCC2=NCCN2)N 62a_100011356834_100000737910 [2,0,0,0,0,0|1,1,0]=4 709 B16R2.12623 Cc1ccc(c(c1)SCC2=NCCN2)O 62a_100000737910_100000765521 [2,0,0,0,0,0|1,1,0]=4 710 B16R2.12623 Cc1ccc(c(c1)SCC2=NCCN2)O 62a_100000765521_100000737910 [2,0,0,0,0,0|1,1,0]=4 711 B16R2.12623 Cc1ccc(c(n1)OCC2=NCCN2)Br 34a_100009817604_100000737910 [2,0,0,0,0,0|2,0,0]=4 712 B16R2.12623 Cc1ccc(c(n1)OCC2=NCCN2)N 34a_100000687486_100000737910 [2,0,0,0,0,0|2,0,0]=4 713 B16R2.12623 Cc1ccc(c(n1)SCC2=NCCN2)C 62a_100000737910_100009854376 [2,0,0,0,0,0|1,1,0]=4 714 B16R2.12623 Cc1ccc(c(n1)SCC2=NCCN2)C 62a_100009854376_100000737910 [2,0,0,0,0,0|1,1,0]=4 715 B16R2.12623 Cc1ccc(cc1NCC2=NCCN2)Br 34a_100000741167_100000737910 [2,0,0,0,0,0|2,0,0]=4 716 B16R2.12623 Cc1ccc(cc1NCC2=NCCN2)Br 7a_100000741167_100000737910 [2,0,0,0,0,0|2,0,0]=4 717 B16R2.12623 Cc1ccc(cc1NCC2=NCCN2)Cl 34a_100000211374_100000737910 [2,0,0,0,0,0|2,0,0]=4 718 B16R2.12623 Cc1ccc(cc1NCC2=NCCN2)Cl 7a_100000211374_100000737910 [2,0,0,0,0,0|2,0,0]=4 719 B16R2.12623 Cc1ccc(cc1NCC2=NCCN2)F 34a_100000211107_100000737910 [2,0,0,0,0,0|2,0,0]=4 720 B16R2.12623 Cc1ccc(cc1NCC2=NCCN2)F 7a_100000211107_100000737910 [2,0,0,0,0,0|2,0,0]=4 721 B16R2.12623 Cc1ccc(cc1NCC2=NCCN2)I 7a_100000761890_100000737910 [2,0,0,0,0,0|2,0,0]=4 722 B16R2.12623 Cc1ccc(cc1NCC2=NCCN2)O 34a_100011216113_100000737910 [2,0,0,0,0,0|2,0,0]=4 723 B16R2.12623 Cc1ccc(cc1OCC2=NCCN2)Br 34a_100000685420_100000737910 [2,0,0,0,0,0|1,0,0]=3 724 B16R2.12623 Cc1ccc(cc1OCC2=NCCN2)Br 7a_100000685420_100000737910 [2,0,0,0,0,0|1,0,0]=3 725 B16R2.12623 Cc1ccc(cc1OCC2=NCCN2)Cl 34a_100000756515_100000737910 [2,0,0,0,0,0|1,0,0]=3 726 B16R2.12623 Cc1ccc(cc1OCC2=NCCN2)Cl 7a_100000756515_100000737910 [2,0,0,0,0,0|1,0,0]=3 727 B16R2.12623 Cc1ccc(cc1OCC2=NCCN2)F 34a_100000690566_100000737910 [2,0,0,0,0,0|1,0,0]=3 728 B16R2.12623 Cc1ccc(cc1OCC2=NCCN2)F 7a_100000690566_100000737910 [2,0,0,0,0,0|1,0,0]=3 729 B16R2.12623 Cc1ccc(cc1OCC2=NCCN2)I 7a_100000766334_100000737910 [2,0,0,0,0,0|1,0,0]=3 730 B16R2.12623 Cc1ccc(cc1OCC2=NCCN2)N 34a_100000759471_100000737910 [2,0,0,0,0,0|1,0,0]=3 731 B16R2.12623 Cc1ccc(cc1OCC2=NCCN2)N 7a_100000759471_100000737910 [2,0,0,0,0,0|1,0,0]=3 732 B16R2.12623 Cc1ccc(cc1SCC2=NCCN2)Br 62a_100000737910_100011344865 [2,0,0,0,0,0|1,1,0]=4 733 B16R2.12623 Cc1ccc(cc1SCC2=NCCN2)Br 62a_100011344865_100000737910 [2,0,0,0,0,0|1,1,0]=4 734 B16R2.12623 Cc1ccc(cc1SCC2=NCCN2)Cl 62a_100000737910_100011263213 [2,0,0,0,0,0|1,1,0]=4 735 B16R2.12623 Cc1ccc(cc1SCC2=NCCN2)Cl 62a_100011263213_100000737910 [2,0,0,0,0,0|1,1,0]=4 736 B16R2.12623 Cc1ccc(cc1SCC2=NCCN2)F 62a_100000737910_100011218078 [2,0,0,0,0,0|1,1,0]=4 737 B16R2.12623 Cc1ccc(cc1SCC2=NCCN2)F 62a_100011218078_100000737910 [2,0,0,0,0,0|1,1,0]=4 738 B16R2.12623 Cc1ccc(cc1SCC2=NCCN2)N 62a_100000736455_100000737910 [2,0,0,0,0,0|1,1,0]=4 739 B16R2.12623 Cc1ccc(cc1SCC2=NCCN2)N 62a_100000737910_100000736455 [2,0,0,0,0,0|1,1,0]=4 740 B16R2.12623 Cc1ccc(cc1SCC2=NCCN2)O 62a_100000737910_100011380479 [2,0,0,0,0,0|1,1,0]=4 741 B16R2.12623 Cc1ccc(cc1SCC2=NCCN2)O 62a_100011380479_100000737910 [2,0,0,0,0,0|1,1,0]=4 742 B16R2.12623 Cc1cnc(c(c1)OCC2=NCCN2)Cl 34a_100012000487_100000737910 [2,0,0,0,0,0|2,0,0]=4 743 B16R2.12623 Cc1cnc(c(c1)OCC2=NCCN2)Cl 7a_100012000487_100000737910 [2,0,0,0,0,0|2,0,0]=4 744 B16R2.12623 Cc1cnc(c(c1)OCC2=NCCN2)F 34a_100009849810_100000737910 [2,0,0,0,0,0|2,0,0]=4 745 B16R2.12623 Cc1cnc(c(c1)OCC2=NCCN2)F 7a_100009849810_100000737910 [2,0,0,0,0,0|2,0,0]=4 746 B16R2.12623 Cc1cnc(c(c1)SCC2=NCCN2)C 62a_100000737910_100009817436 [2,0,0,0,0,0|1,1,0]=4 747 B16R2.12623 Cc1cnc(c(c1)SCC2=NCCN2)C 62a_100009817436_100000737910 [2,0,0,0,0,0|1,1,0]=4 748 B16R2.12623 Cc1cnc(cc1OCC2=NCCN2)Br 34a_100000704368_100000737910 [2,0,0,0,0,0|2,0,0]=4 749 B16R2.12623 Cc1cnc(cc1OCC2=NCCN2)Br 7a_100000704368_100000737910 [2,0,0,0,0,0|2,0,0]=4 750 B16R2.12623 Cc1ncc(cc1OCC2=NCCN2)Br 34a_100009864810_100000737910 [2,0,0,0,0,0|2,0,0]=4 751 B16R2.12623 Cc1ncc(cc1OCC2=NCCN2)Br 7a_100009864810_100000737910 [2,0,0,0,0,0|2,0,0]=4 752 B16R2.12623 Clc1ccc(c(c1)OCC2=NCCN2)Br 34a_100012339455_100000737910 [2,0,0,0,0,0|2,0,0]=4 753 B16R2.12623 Clc1ccc(c(c1)OCC2=NCCN2)Br 7a_100012339455_100000737910 [2,0,0,0,0,0|2,0,0]=4 754 B16R2.12623 Clc1ccc(c(c1)OCC2=NCCN2)Cl 34a_100000211422_100000737910 [2,0,0,0,0,0|2,0,0]=4 755 B16R2.12623 Clc1ccc(c(c1)OCC2=NCCN2)Cl 7a_100000211422_100000737910 [2,0,0,0,0,0|2,0,0]=4 756 B16R2.12623 Clc1ccc(c(c1)OCC2=NCCN2)I 34a_100000050036_100000737910 [2,0,0,0,0,0|2,0,0]=4 757 B16R2.12623 Clc1ccc(c(c1)OCC2=NCCN2)I 7a_100000050036_100000737910 [2,0,0,0,0,0|2,0,0]=4 758 B16R2.12623 Clc1ccc(cc1OCC2=NCCN2)Br 34a_100000738945_100000737910 [2,0,0,0,0,0|2,0,0]=4 759 B16R2.12623 Clc1ccc(cc1OCC2=NCCN2)Br 7a_100000738945_100000737910 [2,0,0,0,0,0|2,0,0]=4 760 B16R2.12623 Clc1ccc(cc1OCC2=NCCN2)I 34a_100011356854_100000737910 [2,0,0,0,0,0|2,0,0]=4 761 B16R2.12623 Clc1ccc(cc1OCC2=NCCN2)I 7a_100011356854_100000737910 [2,0,0,0,0,0|2,0,0]=4 762 B16R2.12623 Fc1ccc(c(c1)OCC2=NCCN2)Br 34a_100000690578_100000737910 [2,0,0,0,0,0|2,0,0]=4 763 B16R2.12623 Fc1ccc(c(c1)OCC2=NCCN2)Br 7a_100000690578_100000737910 [2,0,0,0,0,0|2,0,0]=4 764 B16R2.12623 Fc1ccc(c(c1)OCC2=NCCN2)Cl 34a_100000692107_100000737910 [2,0,0,0,0,0|2,0,0]=4 765 B16R2.12623 Fc1ccc(c(c1)OCC2=NCCN2)Cl 7a_100000692107_100000737910 [2,0,0,0,0,0|2,0,0]=4 766 B16R2.12623 Fc1ccc(c(c1)OCC2=NCCN2)F 34a_100000752141_100000737910 [2,0,0,0,0,0|2,0,0]=4 767 B16R2.12623 Fc1ccc(c(c1)OCC2=NCCN2)F 7a_100000752141_100000737910 [2,0,0,0,0,0|2,0,0]=4 768 B16R2.12623 Fc1ccc(c(c1)OCC2=NCCN2)I 34a_100010084537_100000737910 [2,0,0,0,0,0|2,0,0]=4 769 B16R2.12623 Fc1ccc(c(c1)OCC2=NCCN2)I 7a_100010084537_100000737910 [2,0,0,0,0,0|2,0,0]=4 770 B16R2.12623 Fc1ccc(cc1OCC2=NCCN2)Br 34a_100000686035_100000737910 [2,0,0,0,0,0|2,0,0]=4 771 B16R2.12623 Fc1ccc(cc1OCC2=NCCN2)Br 7a_100000686035_100000737910 [2,0,0,0,0,0|2,0,0]=4 772 B16R2.12623 Fc1ccc(cc1OCC2=NCCN2)Cl 34a_100000757397_100000737910 [2,0,0,0,0,0|2,0,0]=4 773 B16R2.12623 Fc1ccc(cc1OCC2=NCCN2)Cl 7a_100000757397_100000737910 [2,0,0,0,0,0|2,0,0]=4 774 B16R2.12623 Fc1ccc(cc1OCC2=NCCN2)I 34a_100009958187_100000737910 [2,0,0,0,0,0|2,0,0]=4 775 B16R2.12623 Fc1ccc(cc1OCC2=NCCN2)I 7a_100009958187_100000737910 [2,0,0,0,0,0|2,0,0]=4 776 B16R2.12623 Nc1ccc(c(c1)OCC2=NCCN2)Cl 34a_100011934209_100000737910 [2,0,0,0,0,0|2,0,0]=4 777 B16R2.12623 Nc1ccc(c(c1)OCC2=NCCN2)F 34a_100012017398_100000737910 [2,0,0,0,0,0|2,0,0]=4 778 B16R2.12623 Nc1ccc(c(c1)OCC2=NCCN2)F 7a_100012017398_100000737910 [2,0,0,0,0,0|2,0,0]=4 779 B16R2.12623 Nc1ccc(c(c1)OCC2=NCCN2)N 34a_100025717382_100000737910 [2,0,0,0,0,0|2,0,0]=4 780 B16R2.12623 Nc1ccc(cc1OCC2=NCCN2)Br 34a_100000739049_100000737910 [2,0,0,0,0,0|2,0,0]=4 781 B16R2.12623 Nc1ccc(cc1OCC2=NCCN2)Br 7a_100000739049_100000737910 [2,0,0,0,0,0|2,0,0]=4 782 B16R2.12623 Nc1ccc(cc1OCC2=NCCN2)Cl 34a_100000185728_100000737910 [2,0,0,0,0,0|2,0,0]=4 783 B16R2.12623 Nc1ccc(cc1OCC2=NCCN2)Cl 7a_100000185728_100000737910 [2,0,0,0,0,0|2,0,0]=4 784 B16R2.12623 Nc1ccc(cc1OCC2=NCCN2)F 34a_100000753323_100000737910 [2,0,0,0,0,0|2,0,0]=4 785 B16R2.12623 Nc1ccc(cc1OCC2=NCCN2)F 7a_100000753323_100000737910 [2,0,0,0,0,0|2,0,0]=4 786 B16R2.12623 Nc1ccc(cc1OCC2=NCCN2)I 34a_100000057187_100000737910 [2,0,0,0,0,0|2,0,0]=4 787 B16R2.12623 Nc1ccc(cc1OCC2=NCCN2)I 7a_100000057187_100000737910 [2,0,0,0,0,0|2,0,0]=4 788 B18R1.10058 C#CCNC(=O)COc1cc(ccc1C(C)C)C 11a_100000212058_100000182424 [0,1,1,0,0,0|1,0,1]=4 789 B18R1.10058 C#CCNC(=O)COc1cc(ccc1C(C)C)C 1626a_100000212058_100000182424 [0,1,1,0,0,0|1,0,1]=4 790 B18R1.10058 C#CCNC(=O)COc1cc(ccc1C(C)C)C 240690a_100000212058_100000182424 [0,1,1,0,0,0|1,0,1]=4 791 B18R1.10058 C#CCNC(=O)COc1cc(ccc1C(C)C)C 527a_100000212058_100000182424 [0,1,1,0,0,0|1,0,1]=4 792 B18R1.10058 C=CCNC(=O)COc1cc(ccc1C(C)C)C 1626a_100020586998_100000182424 [0,1,1,0,0,0|1,0,1]=4 793 B18R1.10058 C=CCNC(=O)COc1cc(ccc1C(C)C)C 240690a_100020586998_100000182424 [0,1,1,0,0,0|1,0,1]=4 794 B18R1.10058 C=CCNC(=O)COc1cc(ccc1C(C)C)C 527a_100020586998_100000182424 [0,1,1,0,0,0|1,0,1]=4 795 B18R1.10058 C=CCNC(=O)COc1cc(ccc1C(C)C)C 7a_100000185798_100000183597 [0,1,1,0,0,0|1,0,1]=4 796 B18R1.10058 CCCCC(=O)COc1cc(ccc1C(C)C)C 1458a_100000182424_100000210211 [0,1,1,0,0,0|2,0,0]=4 797 B18R1.10058 CCCNC(=O)COc1cc(ccc1C(C)C)C 11a_100020643023_100000182424 [0,1,1,0,0,0|1,0,0]=3 798 B18R1.10058 CCCNC(=O)COc1cc(ccc1C(C)C)C 1626a_100020643023_100000182424 [0,1,1,0,0,0|1,0,0]=3 799 B18R1.10058 CCCNC(=O)COc1cc(ccc1C(C)C)C 240690a_100020643023_100000182424 [0,1,1,0,0,0|1,0,0]=3 800 B18R1.10058 CCCNC(=O)COc1cc(ccc1C(C)C)C 34a_100000185798_100000183358 [0,1,1,0,0,0|1,0,0]=3 801 B18R1.10058 CCCNC(=O)COc1cc(ccc1C(C)C)C 527a_100020643023_100000182424 [0,1,1,0,0,0|1,0,0]=3 802 B18R1.10058 CCCNC(=O)COc1cc(ccc1C(C)C)C 7a_100000185798_100000183358 [0,1,1,0,0,0|1,0,0]=3 803 B18R1.10058 CCCOC(=O)COc1cc(ccc1C(C)C)C 34a_100000185798_200011215008 [0,1,1,0,0,0|2,0,0]=4 804 B18R1.10058 CCCOC(=O)COc1cc(ccc1C(C)C)C 7a_100000185798_200011215008 [0,1,1,0,0,0|2,0,0]=4 805 B18R1.10058 CCNNC(=O)COc1cc(ccc1C(C)C)C 22a_100000756455_100000182424 [0,1,1,0,0,0|2,0,0]=4 806 B18R1.10058 Cc1ccc(c(c1)OCC(=O)CCCF)C(C)C 1458a_100000182424_100011934791 [0,1,1,0,0,0|2,0,0]=4 807 B18R1.10058 Cc1ccc(c(c1)OCC(=O)CCCO)C(C)C 1458a_100000182424_100011215043 [0,1,1,0,0,0|2,0,0]=4 808 B18R1.10058 Cc1ccc(c(c1)OCC(=O)NCC#N)C(C)C 1626a_100000734998_100000182424 [0,1,1,0,0,0|0,0,2]=4 809 B18R1.10058 Cc1ccc(c(c1)OCC(=O)NCC#N)C(C)C 527a_100000734998_100000182424 [0,1,1,0,0,0|0,0,2]=4 810 B18R1.10058 Cc1ccc(c(c1)OCC(=O)NCC#N)C(C)C 7a_100000185798_100000736037 [0,1,1,0,0,0|0,0,2]=4 811 B18R1.10058 Cc1ccc(c(c1)OCC(=O)NCCF)C(C)C 11a_100000724931_100000182424 [0,1,1,0,0,0|1,0,0]=3 812 B18R1.10058 Cc1ccc(c(c1)OCC(=O)NCCF)C(C)C 1626a_100000724931_100000182424 [0,1,1,0,0,0|1,0,0]=3 813 B18R1.10058 Cc1ccc(c(c1)OCC(=O)NCCF)C(C)C 240690a_100000724931_100000182424 [0,1,1,0,0,0|1,0,0]=3 814 B18R1.10058 Cc1ccc(c(c1)OCC(=O)NCCF)C(C)C 527a_100000724931_100000182424 [0,1,1,0,0,0|1,0,0]=3 815 B18R1.10058 Cc1ccc(c(c1)OCC(=O)NCCO)C(C)C 240690a_100000210304_100000182424 [0,1,1,0,0,0|1,0,0]=3 816 B18R1.10058 Cc1ccc(c(c1)OCC(=O)NCCO)C(C)C 527a_100000210304_100000182424 [0,1,1,0,0,0|1,0,0]=3 817 B18R1.4553 CCNC(=O)CC(=O)c1cc(ccc1C(C)C)C 1458a_200012176289_100000183381 [0,1,1,0,0,0|2,0,0]=4 818 B18R1.4870 CCCC(=O)COc1cc(ccc1C(C)(C)C)C 7a_100000212021_100000747444 [0,1,1,0,0,0|2,0,0]=4 819 B18R1.4870 CCNC(=O)COc1cc(ccc1C(C)(C)C)C 34a_100000212021_100000183381 [0,1,1,0,0,0|1,0,0]=3 820 B18R1.4870 CCNC(=O)COc1cc(ccc1C(C)(C)C)C 7a_100000212021_100000183381 [0,1,1,0,0,0|1,0,0]=3 821 B18R1.4870 CCOC(=O)COc1cc(ccc1C(C)(C)C)C 34a_100000212021_100000188475 [0,1,1,0,0,0|2,0,0]=4 822 B18R1.4870 CCOC(=O)COc1cc(ccc1C(C)(C)C)C 7a_100000212021_100000188475 [0,1,1,0,0,0|2,0,0]=4 823 B18R1.4870 Cc1ccc(c(c1)OCC(=O)NCO)C(C)(C)C 34a_100000212021_100000185155 [0,1,1,0,0,0|2,0,0]=4 824 B18R1.4870 Cc1ccc(c(c1)OCC(=O)NCO)C(C)(C)C 7a_100000212021_100000185155 [0,1,1,0,0,0|2,0,0]=4 825 B18R1.6101 CCCC(=O)C(C)Oc1cc(ccc1C(C)C)C 1458a_100000246020_100000210303 [0,1,1,0,0,0|2,0,0]=4 826 B18R1.6101 CCNC(=O)C(C)Oc1cc(ccc1C(C)C)C 11a_100015525214_100000246020 [0,1,1,0,0,0|1,0,0]=3 827 B18R1.6101 CCNC(=O)C(C)Oc1cc(ccc1C(C)C)C 240690a_100015525214_100000246020 [0,1,1,0,0,0|1,0,0]=3 828 B18R1.6101 CCNC(=O)C(C)Oc1cc(ccc1C(C)C)C 34a_100000185798_100000230173 [0,1,1,0,0,0|1,0,0]=3 829 B18R1.6101 CCNC(=O)C(C)Oc1cc(ccc1C(C)C)C 527a_100015525214_100000246020 [0,1,1,0,0,0|1,0,0]=3 830 B18R1.6101 CCNC(=O)C(C)Oc1cc(ccc1C(C)C)C 7a_100000185798_100000230173 [0,1,1,0,0,0|1,0,0]=3 831 B18R1.6101 CCOC(=O)C(C)Oc1cc(ccc1C(C)C)C 34a_100000185798_100011216346 [0,1,1,0,0,0|2,0,0]=4 832 B18R1.6101 CCOC(=O)C(C)Oc1cc(ccc1C(C)C)C 7a_100000185798_100011216346 [0,1,1,0,0,0|2,0,0]=4 833 B18R1.6101 CCOC(=O)C(F)Oc1cc(ccc1C(C)C)C 34a_100000185798_100000760018 [0,1,1,0,0,0|2,0,0]=4 834 B18R1.6101 CCOC(=O)C(F)Oc1cc(ccc1C(C)C)C 7a_100000185798_100000040065 [0,1,1,0,0,0|2,0,0]=4 835 B18R1.6101 CNNC(=O)C(C)Oc1cc(ccc1C(C)C)C 22a_100016993582_100000246020 [0,1,1,0,0,0|2,0,0]=4 836 B18R1.17917 CC(=O)NC(=O)COc1cc(ccc1C(C)C)C 7a_100000185798_100000183797 [0,1,1,0,0,0|1,0,1]=4 837 B18R1.17917 Cc1ccc(c(c1)OCC(=O)CC(C)C)C(C)C 1458a_100000182424_100000210624 [0,1,1,0,0,0|2,0,0]=4 838 B18R1.17917 Cc1ccc(c(c1)OCC(=O)CC(C)O)C(C)C 1458a_100000182424_100011218427 [0,1,1,0,0,0|2,0,0]=4 839 B18R1.17917 Cc1ccc(c(c1)OCC(=O)NC(C)C)C(C)C 11a_100138425928_100000182424 [0,1,1,0,0,0|1,0,0]=3 840 B18R1.17917 Cc1ccc(c(c1)OCC(=O)NC(C)C)C(C)C 1626a_100138425928_100000182424 [0,1,1,0,0,0|1,0,0]=3 841 B18R1.17917 Cc1ccc(c(c1)OCC(=O)NC(C)C)C(C)C 240690a_100138425928_100000182424 [0,1,1,0,0,0|1,0,0]=3 842 B18R1.17917 Cc1ccc(c(c1)OCC(=O)NC(C)C)C(C)C 34a_100000185798_100000183996 [0,1,1,0,0,0|1,0,0]=3 843 B18R1.17917 Cc1ccc(c(c1)OCC(=O)NC(C)C)C(C)C 527a_100138425928_100000182424 [0,1,1,0,0,0|1,0,0]=3 844 B18R1.17917 Cc1ccc(c(c1)OCC(=O)NC(C)C)C(C)C 7a_100000185798_100000183996 [0,1,1,0,0,0|1,0,0]=3 845 B18R1.17917 Cc1ccc(c(c1)OCC(=O)OC(C)C)C(C)C 34a_100000185798_100011215430 [0,1,1,0,0,0|2,0,0]=4 846 B18R1.17917 Cc1ccc(c(c1)OCC(=O)OC(C)C)C(C)C 7a_100000185798_100011215430 [0,1,1,0,0,0|2,0,0]=4 847 B18R1.34888 CCC(C)C(=O)COc1cc(ccc1C(C)C)C 1458a_100000182424_100000758301 [0,1,1,0,0,0|2,0,0]=4 848 B18R1.34888 CCN(C)C(=O)COc1cc(ccc1C(C)C)C 11a_100000225621_100000182424 [0,1,1,0,0,0|1,0,0]=3 849 B18R1.34888 CCN(C)C(=O)COc1cc(ccc1C(C)C)C 1626a_100000225621_100000182424 [0,1,1,0,0,0|1,0,0]=3 850 B18R1.34888 CCN(C)C(=O)COc1cc(ccc1C(C)C)C 240690a_100000225621_100000182424 [0,1,1,0,0,0|1,0,0]=3 851 B18R1.34888 CCN(C)C(=O)COc1cc(ccc1C(C)C)C 34a_100000185798_100000738999 [0,1,1,0,0,0|1,0,0]=3 852 B18R1.34888 CCN(C)C(=O)COc1cc(ccc1C(C)C)C 527a_100000225621_100000182424 [0,1,1,0,0,0|1,0,0]=3 853 B18R1.34888 CCN(C)C(=O)COc1cc(ccc1C(C)C)C 7a_100000185798_100000738999 [0,1,1,0,0,0|1,0,0]=3 854 B18R1.34888 CON(C)C(=O)COc1cc(ccc1C(C)C)C 7a_100000185798_100000764215 [0,1,1,0,0,0|2,0,0]=4 855 B18R1.216939 CCNC(=O)CNc1cc(ccc1C(C)C)OC 2230a_100009963057_100000183381 [0,1,1,0,0,0|2,0,0]=4 856 B18R1.216939 CCNC(=O)CNc1cc(ccc1C(C)C)OC 34a_100009963057_100000183381 [0,1,1,0,0,0|2,0,0]=4 857 B18R1.216939 CCNC(=O)CNc1cc(ccc1C(C)C)OC 7a_100009963057_100000183381 [0,1,1,0,0,0|2,0,0]=4 858 B18R1.217058 CCCC(=O)COc1cc(c(cc1C(C)C)Cl)C 1458a_100000184068_100000210303 [0,1,1,0,0,0|2,0,0]=4 859 B18R1.217058 CCCC(=O)COc1cc(c(cc1C(C)C)Cl)C 7a_100000211603_100000747444 [0,1,1,0,0,0|2,0,0]=4 860 B18R1.217058 CCCC(=O)COc1cc(c(cc1C(C)C)N)C 7a_100000686282_100000747444 [0,1,1,0,0,0|2,0,0]=4 861 B18R1.217058 CCNC(=O)COc1cc(c(cc1C(C)C)Cl)C 11a_100015525214_100000184068 [0,1,1,0,0,0|1,0,0]=3 862 B18R1.217058 CCNC(=O)COc1cc(c(cc1C(C)C)Cl)C 240690a_100015525214_100000184068 [0,1,1,0,0,0|1,0,0]=3 863 B18R1.217058 CCNC(=O)COc1cc(c(cc1C(C)C)Cl)C 34a_100000211603_100000183381 [0,1,1,0,0,0|1,0,0]=3 864 B18R1.217058 CCNC(=O)COc1cc(c(cc1C(C)C)Cl)C 527a_100015525214_100000184068 [0,1,1,0,0,0|1,0,0]=3 865 B18R1.217058 CCNC(=O)COc1cc(c(cc1C(C)C)Cl)C 7a_100000211603_100000183381 [0,1,1,0,0,0|1,0,0]=3 866 B18R1.217058 CCNC(=O)COc1cc(c(cc1C(C)C)N)C 34a_100000686282_100000183381 [0,1,1,0,0,0|1,0,0]=3 867 B18R1.217058 CCNC(=O)COc1cc(c(cc1C(C)C)N)C 7a_100000686282_100000183381 [0,1,1,0,0,0|1,0,0]=3 868 B18R1.217058 CCOC(=O)COc1cc(c(cc1C(C)C)Cl)C 34a_100000211603_100000188475 [0,1,1,0,0,0|2,0,0]=4 869 B18R1.217058 CCOC(=O)COc1cc(c(cc1C(C)C)Cl)C 7a_100000211603_100000188475 [0,1,1,0,0,0|2,0,0]=4 870 B18R1.217058 CCOC(=O)COc1cc(c(cc1C(C)C)N)C 34a_100000686282_100000188475 [0,1,1,0,0,0|2,0,0]=4 871 B18R1.217058 CCOC(=O)COc1cc(c(cc1C(C)C)N)C 7a_100000686282_100000188475 [0,1,1,0,0,0|2,0,0]=4 872 B18R1.217058 CNNC(=O)COc1cc(c(cc1C(C)C)Cl)C 22a_100016993582_100000184068 [0,1,1,0,0,0|2,0,0]=4 873 B18R1.217058 Cc1cc(c(cc1Cl)C(C)C)OCC(=O)NCO 34a_100000211603_100000185155 [0,1,1,0,0,0|2,0,0]=4 874 B18R1.217058 Cc1cc(c(cc1Cl)C(C)C)OCC(=O)NCO 7a_100000211603_100000185155 [0,1,1,0,0,0|2,0,0]=4 875 B18R1.217058 Cc1cc(c(cc1N)C(C)C)OCC(=O)NCO 34a_100000686282_100000185155 [0,1,1,0,0,0|2,0,0]=4 876 B18R1.217058 Cc1cc(c(cc1N)C(C)C)OCC(=O)NCO 7a_100000686282_100000185155 [0,1,1,0,0,0|2,0,0]=4 877 B18R2.6202 CC(C)c1ccccc1OCc2nccn2C 34a_100000211617_100000700302 [1,1,0,0,0,0|0,0,2]=4 878 B18R2.6202 CC(C)c1ccccc1OCc2nccn2C 7a_100000211617_100000700302 [1,1,0,0,0,0|0,0,2]=4 879 B18R2.7149 CC(C)c1ccccc1N(C)CC2=NCCN2 269982a_106256037369_100000737910 [1,1,0,0,0,0|1,0,0]=3 880 B18R2.7149 CC(C)c1ccccc1N(C)CC2=NCCN2 34a_106256037369_100000737910 [1,1,0,0,0,0|1,0,0]=3 881 B18R2.7149 CC(C)c1ccccc1N(C)CC2=NCCN2 38a_106256037369_100000737910 [1,1,0,0,0,0|1,0,0]=3 882 B18R2.9495 CC(=NO)c1ccccc1OCC2=NCCN2 34a_100000164216_100000737910 [1,1,0,0,0,0|1,0,1]=4 883 B18R2.9495 CC(C#N)c1ccccc1SCC2=NCCN2 62a_100000737910_200010232107 [1,1,0,0,0,0|0,1,1]=4 884 B18R2.9495 CC(C#N)c1ccccc1SCC2=NCCN2 62a_200010232107_100000737910 [1,1,0,0,0,0|0,1,1]=4 885 B18R2.9495 CCC(=O)c1ccccc1OCC2=NCCN2 7a_100000184720_100000737910 [1,1,0,0,0,0|1,0,1]=4 886 B18R2.9495 CCC(C)c1ccccc1NCC2=NCCN2 7a_200000211393_100000737910 [1,1,0,0,0,0|1,0,0]=3 887 B18R2.9495 CCC(C)c1ccccc1OCC2=NCCN2 7a_100000211618_100000737910 [1,1,0,0,0,0|0,0,0]=2 888 B18R2.9495 CCC(C)c1ccccc1OCc2ncc[nH]2 7a_100000211618_100000753453 [1,1,0,0,0,0|0,0,2]=4 889 B18R2.9495 CCC(C)c1ccccc1OCc2nnn[nH]2 7a_100000211618_100000765167 [1,1,0,0,0,0|2,0,0]=4 890 B18R2.9495 CNC(=O)c1ccccc1OCC2=NCCN2 34a_100000185920_100000737910 [1,1,0,0,0,0|1,0,1]=4 891 B18R2.9495 CNC(=O)c1ccccc1OCC2=NCCN2 7a_100000185920_100000737910 [1,1,0,0,0,0|1,0,1]=4 892 B18R2.9495 CNC(C)c1ccccc1SCC2=NCCN2 62a_100000692418_100000737910 [1,1,0,0,0,0|0,1,0]=3 893 B18R2.9495 CNC(C)c1ccccc1SCC2=NCCN2 62a_100000737910_100000692418 [1,1,0,0,0,0|0,1,0]=3 894 B18R2.9495 COC(=O)c1ccccc1OCC2=NCCN2 7a_100000150335_100000737910 [1,1,0,0,0,0|1,0,1]=4 895 B18R2.9495 CO[C@@H](C)c1ncccc1SCC2=NCCN2 62a_100000737910_106256553109 [1,1,0,0,0,0|1,1,0]=4 896 B18R2.9495 CO[C@@H](C)c1ncccc1SCC2=NCCN2 62a_106256553109_100000737910 [1,1,0,0,0,0|1,1,0]=4 897 B18R2.9495 NCC(O)c1ccccc1SCC2=NCCN2 62a_100000737910_100011236429 [1,1,0,0,0,0|1,1,0]=4 898 B18R2.9495 NCC(O)c1ccccc1SCC2=NCCN2 62a_100011236429_100000737910 [1,1,0,0,0,0|1,1,0]=4 899 B18R2.9495 N[C@H](CO)c1ccccc1SCC2=NCCN2 62a_100000737910_100161155918 [1,1,0,0,0,0|1,1,0]=4 900 B18R2.9495 N[C@H](CO)c1ccccc1SCC2=NCCN2 62a_100161155918_100000737910 [1,1,0,0,0,0|1,1,0]=4 901 B18R2.9495 O=C(CBr)c1ccccc1OCC2=NCCN2 7a_100000188908_100000737910 [1,1,0,0,0,0|1,0,1]=4 902 B18R2.14566 CC(C)(C)c1ccccc1NCC2=NCCN2 34a_100000211005_100000737910 [1,1,0,0,0,0|1,0,0]=3 903 B18R2.14566 CC(C)(C)c1ccccc1NCC2=NCCN2 7a_100000211005_100000737910 [1,1,0,0,0,0|1,0,0]=3 904 B18R2.14566 CC(C)(C)c1ccccc1OCC2=NCCN2 34a_100000211619_100000737910 [1,1,0,0,0,0|0,0,0]=2 905 B18R2.14566 CC(C)(C)c1ccccc1OCC2=NCCN2 7a_100000211619_100000737910 [1,1,0,0,0,0|0,0,0]=2 906 B18R2.14566 CC(C)(C)c1ccccc1OCc2ncc[nH]2 34a_100000211619_100016991755 [1,1,0,0,0,0|0,0,2]=4 907 B18R2.14566 CC(C)(C)c1ccccc1OCc2ncc[nH]2 7a_100000211619_100000753453 [1,1,0,0,0,0|0,0,2]=4 908 B18R2.14566 CC(C)(C)c1ccccc1OCc2nnn[nH]2 34a_100000211619_100000765167 [1,1,0,0,0,0|2,0,0]=4 909 B18R2.14566 CC(C)(C)c1ccccc1OCc2nnn[nH]2 7a_100000211619_100000765167 [1,1,0,0,0,0|2,0,0]=4 910 B18R2.14566 CC(C)(C)c1ccccc1SCC2=NCCN2 62a_100000737910_100012339570 [1,1,0,0,0,0|0,1,0]=3 911 B18R2.14566 CC(C)(C)c1ccccc1SCC2=NCCN2 62a_100012339570_100000737910 [1,1,0,0,0,0|0,1,0]=3 912 B18R2.14566 CC(C)(N)c1ccccc1SCC2=NCCN2 62a_100000737910_100020606264 [1,1,0,0,0,0|0,1,0]=3 913 B18R2.14566 CC(C)(N)c1ccccc1SCC2=NCCN2 62a_100020606264_100000737910 [1,1,0,0,0,0|0,1,0]=3 914 B18R2.14566 CC(C)(O)c1ccccc1NCC2=NCCN2 34a_100000081495_100000737910 [1,1,0,0,0,0|1,0,0]=3 915 B18R2.14566 CC(C)(O)c1ccccc1NCC2=NCCN2 7a_100000081495_100000737910 [1,1,0,0,0,0|1,0,0]=3 916 B18R2.14566 CC(C)(O)c1ccccc1SCC2=NCCN2 62a_100000737910_100011346021 [1,1,0,0,0,0|0,1,0]=3 917 B18R2.14566 CC(C)(O)c1ccccc1SCC2=NCCN2 62a_100011346021_100000737910 [1,1,0,0,0,0|0,1,0]=3 918 B18R2.14566 CC(C)(O)c1cccnc1SCC2=NCCN2 62a_100000737910_100010080783 [1,1,0,0,0,0|1,1,0]=4 919 B18R2.14566 CC(C)(O)c1cccnc1SCC2=NCCN2 62a_100010080783_100000737910 [1,1,0,0,0,0|1,1,0]=4 920 B18R2.14566 CC(C)(O)c1ncccc1SCC2=NCCN2 62a_100000737910_200010080787 [1,1,0,0,0,0|1,1,0]=4 921 B18R2.14566 CC(C)(O)c1ncccc1SCC2=NCCN2 62a_200010080787_100000737910 [1,1,0,0,0,0|1,1,0]=4 922 B18R2.14566 CC(F)(F)c1ccccc1SCC2=NCCN2 62a_100000737910_100010220483 [1,1,0,0,0,0|1,1,0]=4 923 B18R2.14566 CC(F)(F)c1ccccc1SCC2=NCCN2 62a_100010220483_100000737910 [1,1,0,0,0,0|1,1,0]=4 924 B18R2.14566 CP(=O)(C)c1ccccc1NCC2=NCCN2 34a_100010749338_100000737910 [1,1,0,0,0,0|2,0,0]=4 925 B18R2.14566 CS(=O)(=O)c1ccccc1OCC2=NCCN2 34a_100000054562_100000737910 [1,1,0,0,0,0|2,0,0]=4 926 B18R2.14566 CS(=O)(=O)c1ccccc1OCC2=NCCN2 7a_100000054562_100000737910 [1,1,0,0,0,0|2,0,0]=4 927 B18R2.14566 C[Si](C)(C)c1ccccc1OCC2=NCCN2 7a_100000095915_100000737910 [1,1,0,0,0,0|0,1,0]=3 928 B18R2.14566 FC(F)(F)c1ccccc1OCC2=NCCN2 34a_100000236976_100000737910 [1,1,0,0,0,0|2,0,0]=4 929 B18R2.14566 FC(F)(F)c1ccccc1OCC2=NCCN2 7a_100000236976_100000737910 [1,1,0,0,0,0|2,0,0]=4 930 B18R2.29411 CC(C)c1ccccc1OCc2n[nH]c(=O)[nH]2 7a_100000211617_100000754189 [1,1,0,0,0,0|1,0,1]=4 931 B18R2.39218 CC(=O)c1cccc(c1OCC2=NCCN2)C 34a_100009847209_100000737910 [1,1,0,0,0,0|1,0,1]=4 932 B18R2.39218 CC(=O)c1cccc(c1OCC2=NCCN2)C 7a_100009847209_100000737910 [1,1,0,0,0,0|1,0,1]=4 933 B18R2.39218 CC(=O)c1cccc(c1OCC2=NCCN2)Cl 34a_100000043392_100000737910 [1,1,0,0,0,0|1,0,1]=4 934 B18R2.39218 CC(=O)c1cccc(c1OCC2=NCCN2)Cl 7a_100000043392_100000737910 [1,1,0,0,0,0|1,0,1]=4 935 B18R2.39218 CC(=O)c1cccc(c1OCC2=NCCN2)F 34a_100011246037_100000737910 [1,1,0,0,0,0|1,0,1]=4 936 B18R2.39218 CC(=O)c1cccc(c1OCC2=NCCN2)F 7a_100011246037_100000737910 [1,1,0,0,0,0|1,0,1]=4 937 B18R2.39218 CC(C)c1cccc(c1NCC2=NCCN2)Br 34a_100010571509_100000737910 [1,1,0,0,0,0|1,0,0]=3 938 B18R2.39218 CC(C)c1cccc(c1NCC2=NCCN2)Br 7a_100010571509_100000737910 [1,1,0,0,0,0|1,0,0]=3 939 B18R2.39218 CC(C)c1cccc(c1NCC2=NCCN2)Cl 34a_200009958663_100000737910 [1,1,0,0,0,0|1,0,0]=3 940 B18R2.39218 CC(C)c1cccc(c1NCC2=NCCN2)Cl 7a_200009958663_100000737910 [1,1,0,0,0,0|1,0,0]=3 941 B18R2.39218 Cc1cccc(c1NCC2=NCCN2)C(C)C 34a_100138557336_100000737910 [1,1,0,0,0,0|1,0,0]=3 942 B18R2.39218 Cc1cccc(c1NCC2=NCCN2)C(C)C 7a_100138557336_100000737910 [1,1,0,0,0,0|1,0,0]=3 943 B18R2.65599 CC(=O)c1c(cccc1OCC2=NCCN2)Br 34a_100010174959_100000737910 [1,1,0,0,0,0|1,0,1]=4 944 B18R2.65599 CC(=O)c1c(cccc1OCC2=NCCN2)Br 7a_100010174959_100000737910 [1,1,0,0,0,0|1,0,1]=4 945 B18R2.65599 CC(=O)c1c(cccc1OCC2=NCCN2)C 34a_100009860897_100000737910 [1,1,0,0,0,0|1,0,1]=4 946 B18R2.65599 CC(=O)c1c(cccc1OCC2=NCCN2)C 7a_100009860897_100000737910 [1,1,0,0,0,0|1,0,1]=4 947 B18R2.65599 CC(=O)c1c(cccc1OCC2=NCCN2)Cl 34a_100000730630_100000737910 [1,1,0,0,0,0|1,0,1]=4 948 B18R2.65599 CC(=O)c1c(cccc1OCC2=NCCN2)Cl 7a_100000730630_100000737910 [1,1,0,0,0,0|1,0,1]=4 949 B18R2.65599 CC(=O)c1c(cccc1OCC2=NCCN2)F 34a_100011216272_100000737910 [1,1,0,0,0,0|1,0,1]=4 950 B18R2.65599 CC(=O)c1c(cccc1OCC2=NCCN2)F 7a_100011216272_100000737910 [1,1,0,0,0,0|1,0,1]=4 951 B18R2.65599 CC(O)c1c(cccc1SCC2=NCCN2)F 62a_100000737910_100013085324 [1,1,0,0,0,0|1,1,0]=4 952 B18R2.65599 CC(O)c1c(cccc1SCC2=NCCN2)F 62a_100013085324_100000737910 [1,1,0,0,0,0|1,1,0]=4 953 B18R2.66887 CC(=O)c1cc(ccc1OCC2=NCCN2)Br 34a_100000212127_100000737910 [1,1,0,0,0,0|1,0,1]=4 954 B18R2.66887 CC(=O)c1cc(ccc1OCC2=NCCN2)Br 7a_100000212127_100000737910 [1,1,0,0,0,0|1,0,1]=4 955 B18R2.66887 CC(=O)c1cc(ccc1OCC2=NCCN2)C 34a_100000195442_100000737910 [1,1,0,0,0,0|1,0,1]=4 956 B18R2.66887 CC(=O)c1cc(ccc1OCC2=NCCN2)C 7a_100000195442_100000737910 [1,1,0,0,0,0|1,0,1]=4 957 B18R2.66887 CC(=O)c1cc(ccc1OCC2=NCCN2)Cl 34a_100000185566_100000737910 [1,1,0,0,0,0|1,0,1]=4 958 B18R2.66887 CC(=O)c1cc(ccc1OCC2=NCCN2)Cl 7a_100000185566_100000737910 [1,1,0,0,0,0|1,0,1]=4 959 B18R2.66887 CC(=O)c1cc(ccc1OCC2=NCCN2)F 7a_100000182812_100000737910 [1,1,0,0,0,0|1,0,1]=4 960 B18R2.66887 CC(=O)c1cc(ccc1OCC2=NCCN2)I 7a_100010712555_100000737910 [1,1,0,0,0,0|1,0,1]=4 961 B18R2.66887 CC(=O)c1cc(ccc1OCC2=NCCN2)N 34a_100011218865_100000737910 [1,1,0,0,0,0|1,0,1]=4 962 B18R2.66887 CC(C)c1cc(ccc1NCC2=NCCN2)Br 34a_100000694223_100000737910 [1,1,0,0,0,0|1,0,0]=3 963 B18R2.66887 CC(C)c1cc(ccc1NCC2=NCCN2)Br 7a_100000694223_100000737910 [1,1,0,0,0,0|1,0,0]=3 964 B18R2.66887 CC(C)c1cc(ccc1NCC2=NCCN2)F 34a_100011941472_100000737910 [1,1,0,0,0,0|1,0,0]=3 965 B18R2.66887 CC(C)c1cc(ccc1NCC2=NCCN2)F 7a_100011941472_100000737910 [1,1,0,0,0,0|1,0,0]=3 966 B18R2.66887 CC(C)c1cc(ccc1OCC2=NCCN2)Br 34a_100000691460_100000737910 [1,1,0,0,0,0|0,0,0]=2 967 B18R2.66887 CC(C)c1cc(ccc1OCC2=NCCN2)Br 7a_100000691460_100000737910 [1,1,0,0,0,0|0,0,0]=2 968 B18R2.66887 CC(C)c1cc(ccc1OCc2ncc[nH]2)Br 34a_100000691460_100016991755 [1,1,0,0,0,0|0,0,2]=4 969 B18R2.66887 CC(C)c1cc(ccc1OCc2ncc[nH]2)Br 7a_100000691460_100000753453 [1,1,0,0,0,0|0,0,2]=4 970 B18R2.66887 CC(C)c1cc(ccc1OCc2nnn[nH]2)Br 34a_100000691460_100000765167 [1,1,0,0,0,0|2,0,0]=4 971 B18R2.66887 CC(C)c1cc(ccc1OCc2nnn[nH]2)Br 7a_100000691460_100000765167 [1,1,0,0,0,0|2,0,0]=4 972 B18R2.66887 CC(C)c1cc(ccc1SCC2=NCCN2)Br 62a_100000737910_100010244561 [1,1,0,0,0,0|0,1,0]=3 973 B18R2.66887 CC(C)c1cc(ccc1SCC2=NCCN2)Br 62a_100010244561_100000737910 [1,1,0,0,0,0|0,1,0]=3 974 B18R2.66887 CC(N)c1cc(ccc1SCC2=NCCN2)F 62a_100000737910_100012343209 [1,1,0,0,0,0|1,1,0]=4 975 B18R2.66887 CC(N)c1cc(ccc1SCC2=NCCN2)F 62a_100012343209_100000737910 [1,1,0,0,0,0|1,1,0]=4 976 B18R2.66887 CC(O)c1cc(ccc1OCC2=NCCN2)F 34a_200011305312_100000737910 [1,1,0,0,0,0|1,0,0]=3 977 B18R2.66887 CC(O)c1cc(ccc1OCC2=NCCN2)F 7a_200011305312_100000737910 [1,1,0,0,0,0|1,0,0]=3 978 B18R2.66887 CN(C)c1cc(ccc1SCC2=NCCN2)O 62a_100000737910_200010083878 [1,1,0,0,0,0|1,1,0]=4 979 B18R2.66887 C[C@@H](N)c1cc(ccc1OCC2=NCCN2)Cl 34a_100011853016_100000737910 [1,1,0,0,0,0|1,0,0]=3 980 B18R2.66887 C[C@@H](N)c1cc(ccc1OCC2=NCCN2)Cl 7a_100011853016_100000737910 [1,1,0,0,0,0|1,0,0]=3 981 B18R2.66887 C[C@H](N)c1cc(ccc1OCC2=NCCN2)F 34a_100160469477_100000737910 [1,1,0,0,0,0|1,0,0]=3 982 B18R2.66887 C[C@H](N)c1cc(ccc1OCC2=NCCN2)F 7a_100160469477_100000737910 [1,1,0,0,0,0|1,0,0]=3 983 B18R2.66887 C[C@H](O)c1cc(ccc1SCC2=NCCN2)F 62a_100000737910_100134768474 [1,1,0,0,0,0|1,1,0]=4 984 B18R2.66887 C[C@H](O)c1cc(ccc1SCC2=NCCN2)F 62a_100134768474_100000737910 [1,1,0,0,0,0|1,1,0]=4 985 B18R2.24770 COc1c(cc(cc1NCC2=NCCN2)C)F 34a_100009958095_100000737910 [1,1,0,0,0,0|2,0,0]=4 986 B18R2.24770 COc1c(cc(cc1SCC2=NCCN2)C)F 62a_100000737910_200010713180 [1,1,0,0,0,0|1,1,0]=4 987 B18R2.24770 COc1c(cc(cc1SCC2=NCCN2)C)F 62a_200010713180_100000737910 [1,1,0,0,0,0|1,1,0]=4 988 B18R2.24770 CSc1c(cc(cc1SCC2=NCCN2)C)F 62a_100000737910_202125771776 [1,1,0,0,0,0|1,1,0]=4 989 B18R2.24770 CSc1c(cc(cc1SCC2=NCCN2)C)F 62a_202125771776_100000737910 [1,1,0,0,0,0|1,1,0]=4 990 B18R2.24770 Cc1cc(c(c(c1)OCC2=NCCN2)C#N)C 34a_100010659394_100000737910 [1,1,0,0,0,0|1,0,1]=4 991 B18R2.24770 Cc1cc(c(c(c1)OCC2=NCCN2)C#N)C 7a_100010659394_100000737910 [1,1,0,0,0,0|1,0,1]=4 992 B18R2.24770 Cc1cc(c(c(c1)SCC2=NCCN2)CO)F 62a_100000737910_100016175008 [1,1,0,0,0,0|1,1,0]=4 993 B18R2.24770 Cc1cc(c(c(c1)SCC2=NCCN2)CO)F 62a_100016175008_100000737910 [1,1,0,0,0,0|1,1,0]=4 994 B18R2.24770 Cc1cc(c(c(n1)OCC2=NCCN2)CN)C 34a_100000209871_100000737910 [1,1,0,0,0,0|2,0,0]=4 995 B18R2.30633 CCOc1ccc(cc1NCC2=NCCN2)Br 34a_100000751366_100000737910 [1,1,0,0,0,0|2,0,0]=4 996 B18R2.30633 CCOc1ccc(cc1NCC2=NCCN2)C 34a_100011202655_100000737910 [1,1,0,0,0,0|1,0,0]=3 997 B18R2.30633 CCOc1ccc(cc1NCC2=NCCN2)Cl 34a_100000742605_100000737910 [1,1,0,0,0,0|2,0,0]=4 998 B18R2.30633 CCOc1ccc(cc1SCC2=NCCN2)C 62a_100000737910_200000230997 [1,1,0,0,0,0|0,1,0]=3 999 B18R2.30633 CCOc1ccc(cc1SCC2=NCCN2)C 62a_200000230997_100000737910 [1,1,0,0,0,0|0,1,0]=3 1000 B18R2.30633 CCOc1ccc(cc1SCC2=NCCN2)F 62a_100000171695_100000737910 [1,1,0,0,0,0|1,1,0]=4 1001 B18R2.30633 CCOc1ccc(cc1SCC2=NCCN2)F 62a_100000737910_100000171695 [1,1,0,0,0,0|1,1,0]=4 1002 B18R2.30633 CCSc1ccc(cc1NCC2=NCCN2)Cl 34a_100000752208_100000737910 [1,1,0,0,0,0|2,0,0]=4 1003 B18R2.30633 CNCc1ccc(cc1SCC2=NCCN2)F 62a_100000737910_200011192132 [1,1,0,0,0,0|1,1,0]=4 1004 B18R2.30633 CNCc1ccc(cc1SCC2=NCCN2)F 62a_200011192132_100000737910 [1,1,0,0,0,0|1,1,0]=4 1005 B18R2.30633 COCc1ccc(cc1NCC2=NCCN2)Br 34a_100013084866_100000737910 [1,1,0,0,0,0|2,0,0]=4 1006 B18R2.30633 COCc1ccc(cc1NCC2=NCCN2)Br 7a_100013084866_100000737910 [1,1,0,0,0,0|2,0,0]=4 1007 B18R2.109316 CCc1cc(c(cc1NCC2=NCCN2)F)F 34a_200013084838_100000737910 [1,1,0,0,0,0|2,0,0]=4 1008 B18R2.109316 CCc1cc(c(cc1NCC2=NCCN2)F)F 7a_200013084838_100000737910 [1,1,0,0,0,0|2,0,0]=4 1009 B18R2.109316 CCc1cc(c(cc1SCC2=NCCN2)F)O 62a_100000737910_100011156610 [1,1,0,0,0,0|1,1,0]=4 1010 B18R2.109316 CCc1cc(c(cc1SCC2=NCCN2)F)O 62a_100011156610_100000737910 [1,1,0,0,0,0|1,1,0]=4 1011 B18R2.109316 COc1cc(c(cc1NCC2=NCCN2)C)Br 34a_100010141321_100000737910 [1,1,0,0,0,0|2,0,0]=4 1012 B18R2.109316 COc1cc(c(cc1NCC2=NCCN2)C)Cl 34a_100000211396_100000737910 [1,1,0,0,0,0|2,0,0]=4 1013 B18R2.109316 COc1cc(c(cc1OCC2=NCCN2)F)Br 34a_100010189133_100000737910 [1,1,0,0,0,0|2,0,0]=4 1014 B18R2.109316 COc1cc(c(cc1OCC2=NCCN2)F)Br 7a_100010189133_100000737910 [1,1,0,0,0,0|2,0,0]=4 1015 B18R2.109316 COc1cc(c(cc1SCC2=NCCN2)C)F 62a_100000737910_100010201977 [1,1,0,0,0,0|1,1,0]=4 1016 B18R2.109316 COc1cc(c(cc1SCC2=NCCN2)C)F 62a_100010201977_100000737910 [1,1,0,0,0,0|1,1,0]=4 1017 B18R2.109316 COc1cc(c(cc1SCC2=NCCN2)C)N 62a_100000737910_100010232211 [1,1,0,0,0,0|1,1,0]=4 1018 B18R2.109316 COc1cc(c(cc1SCC2=NCCN2)C)N 62a_100010232211_100000737910 [1,1,0,0,0,0|1,1,0]=4 1019 B18R2.109316 Cc1cc(c(cc1C)SCC2=NCCN2)CO 62a_100000737910_100010184405 [1,1,0,0,0,0|1,1,0]=4 1020 B18R2.109316 Cc1cc(c(cc1C)SCC2=NCCN2)CO 62a_100010184405_100000737910 [1,1,0,0,0,0|1,1,0]=4 1021 B18R2.114337 COc1ccc(c(c1OCC2=NCCN2)F)F 34a_100000062125_100000737910 [1,1,0,0,0,0|2,0,0]=4 1022 B18R2.114337 COc1ccc(c(c1OCC2=NCCN2)F)F 7a_100000062125_100000737910 [1,1,0,0,0,0|2,0,0]=4 1023 B18R2.121270 CCc1ccc(c(c1)NCC2=NCCN2)OC 34a_100012035449_100000737910 [1,1,0,0,0,0|2,0,0]=4 1024 B18R2.121270 CCc1ccc(c(c1)OCC2=NCCN2)OC 34a_100009844796_100000737910 [1,1,0,0,0,0|1,0,0]=3 1025 B18R2.121270 CCc1ccc(c(c1)OCC2=NCCN2)OC 7a_100009844796_100000737910 [1,1,0,0,0,0|1,0,0]=3 1026 B18R2.121270 CCc1ccc(c(c1)SCC2=NCCN2)OC 62a_100000737910_100010062400 [1,1,0,0,0,0|1,1,0]=4 1027 B18R2.121270 CCc1ccc(c(c1)SCC2=NCCN2)OC 62a_100010062400_100000737910 [1,1,0,0,0,0|1,1,0]=4 1028 B18R2.121270 CNc1ccc(c(c1)SCC2=NCCN2)OC 62a_100000737910_114948341033 [1,1,0,0,0,0|1,1,0]=4 1029 B18R2.121270 CNc1ccc(c(c1)SCC2=NCCN2)OC 62a_114948341033_100000737910 [1,1,0,0,0,0|1,1,0]=4 1030 B18R2.121270 COc1ccc(c(c1)NCC2=NCCN2)CO 34a_100011998734_100000737910 [1,1,0,0,0,0|2,0,0]=4 1031 B18R2.121270 COc1ccc(c(c1)NCC2=NCCN2)OC 34a_100000184736_100000737910 [1,1,0,0,0,0|2,0,0]=4 1032 B18R2.121270 COc1ccc(c(c1)OCC2=NCCN2)C#N 34a_100011999188_100000737910 [1,1,0,0,0,0|1,0,1]=4 1033 B18R2.121270 COc1ccc(c(c1)OCC2=NCCN2)C#N 7a_100011999188_100000737910 [1,1,0,0,0,0|1,0,1]=4 1034 B18R2.121270 COc1ccc(c(c1)OCC2=NCCN2)N=O 34a_200010658452_100000737910 [1,1,0,0,0,0|2,0,0]=4 1035 B18R2.121270 COc1ccc(c(c1)OCC2=NCCN2)N=O 7a_200010658452_100000737910 [1,1,0,0,0,0|2,0,0]=4 1036 B18R2.121270 COc1ccc(c(c1)OCC2=NCCN2)OC 34a_100000074795_100000737910 [1,1,0,0,0,0|1,0,0]=3 1037 B18R2.121270 COc1ccc(c(c1)SCC2=NCCN2)CO 62a_100000737910_100011982768 [1,1,0,0,0,0|1,1,0]=4 1038 B18R2.121270 COc1ccc(c(c1)SCC2=NCCN2)CO 62a_100011982768_100000737910 [1,1,0,0,0,0|1,1,0]=4 1039 B18R2.121270 COc1ccc(c(c1)SCC2=NCCN2)OC 62a_100000737910_100011215452 [1,1,0,0,0,0|1,1,0]=4 1040 B18R2.121270 COc1ccc(c(c1)SCC2=NCCN2)OC 62a_100011215452_100000737910 [1,1,0,0,0,0|1,1,0]=4 1041 B18R2.121270 COc1ccc(cc1NCC2=NCCN2)CO 34a_100011269841_100000737910 [1,1,0,0,0,0|2,0,0]=4 1042 B18R2.121270 COc1ccc(cc1OCC2=NCCN2)C#N 34a_100000188611_100000737910 [1,1,0,0,0,0|1,0,1]=4 1043 B18R2.121270 COc1ccc(cc1OCC2=NCCN2)C#N 7a_100000188611_100000737910 [1,1,0,0,0,0|1,0,1]=4 1044 B18R2.121270 COc1ccc(cc1OCC2=NCCN2)CN 34a_100000740000_100000737910 [1,1,0,0,0,0|1,0,0]=3 1045 B18R2.121270 COc1ccc(cc1OCC2=NCCN2)CO 34a_100011215239_100000737910 [1,1,0,0,0,0|1,0,0]=3 1046 B18R2.121270 COc1ccc(cc1SCC2=NCCN2)CN 62a_100000737910_100159240714 [1,1,0,0,0,0|1,1,0]=4 1047 B18R2.121270 COc1ccc(cc1SCC2=NCCN2)CN 62a_100159240714_100000737910 [1,1,0,0,0,0|1,1,0]=4 1048 B18R2.121270 COc1ccc(cc1SCC2=NCCN2)CO 62a_100000246451_100000737910 [1,1,0,0,0,0|1,1,0]=4 1049 B18R2.121270 COc1ccc(cc1SCC2=NCCN2)CO 62a_100000737910_100000246451 [1,1,0,0,0,0|1,1,0]=4 1050 B18R2.121270 OCc1ccc(c(c1)OCC2=NCCN2)CO 34a_200010669990_100000737910 [1,1,0,0,0,0|1,0,0]=3 1051 B18R2.121270 OCc1ccc(c(c1)SCC2=NCCN2)CO 62a_100000737910_100010881536 [1,1,0,0,0,0|1,1,0]=4 1052 B18R2.121270 OCc1ccc(c(c1)SCC2=NCCN2)CO 62a_100010881536_100000737910 [1,1,0,0,0,0|1,1,0]=4 1053 B18R2.285956 Cc1ccc(c(c1)OCC2CCC2)C(C)(C)C 34a_100000212021_100000763275 [0,1,0,0,1,0|1,0,1]=4 1054 B18R2.285956 Cc1ccc(c(c1)OCC2CCC2)C(C)(C)C 7a_100000212021_100000763275 [0,1,0,0,1,0|1,0,1]=4 1055 B18R2.285956 Cc1ccc(c(c1)OCC2CCO2)C(C)(C)C 34a_100000212021_100000103362 [0,1,0,0,1,0|1,0,1]=4 1056 B18R2.285956 Cc1ccc(c(c1)OCC2CCO2)C(C)(C)C 7a_100000212021_100000103362 [0,1,0,0,1,0|1,0,1]=4 1057 B18R2.528738 Cc1cc(c(cc1Cl)C(C)C)OCC2CCC2 34a_100000211603_100000763275 [0,1,0,0,1,0|1,0,1]=4 1058 B18R2.528738 Cc1cc(c(cc1Cl)C(C)C)OCC2CCC2 7a_100000211603_100000763275 [0,1,0,0,1,0|1,0,1]=4 1059 B18R2.528738 Cc1cc(c(cc1Cl)C(C)C)OCC2CCO2 34a_100000211603_100000103362 [0,1,0,0,1,0|1,0,1]=4 1060 B18R2.528738 Cc1cc(c(cc1Cl)C(C)C)OCC2CCO2 7a_100000211603_100000103362 [0,1,0,0,1,0|1,0,1]=4 1061 B18R2.528738 Cc1cc(c(cc1N)C(C)C)OCC2CCC2 34a_100000686282_100000763275 [0,1,0,0,1,0|1,0,1]=4 1062 B18R2.528738 Cc1cc(c(cc1N)C(C)C)OCC2CCC2 7a_100000686282_100000763275 [0,1,0,0,1,0|1,0,1]=4 1063 B18R2.528738 Cc1cc(c(cc1N)C(C)C)OCC2CCO2 34a_100000686282_100000103362 [0,1,0,0,1,0|1,0,1]=4 1064 B18R2.528738 Cc1cc(c(cc1N)C(C)C)OCC2CCO2 7a_100000686282_100000103362 [0,1,0,0,1,0|1,0,1]=4 1065 B18R2.1304914 Cc1ccc(c(c1)OCC2(CCC2)C)C(C)C 34a_100000185798_100000726658 [0,1,0,0,1,0|1,0,1]=4 1066 B18R2.1304914 Cc1ccc(c(c1)OCC2(CCC2)C)C(C)C 7a_100000185798_100000726658 [0,1,0,0,1,0|1,0,1]=4 1067 B20R2.153900 Cc1ccc(c(c1)OCC2CCCN(C2)C)C(C)C 34a_100000185798_100015183302 [0,1,0,0,0,1|1,0,1]=4 1068 B20R2.153900 Cc1ccc(c(c1)OCC2CCCN(C2)C)C(C)C 7a_100000185798_100000752043 [0,1,0,0,0,1|1,0,1]=4 1069 B20R2.156308 Cc1ccc(c(c1)OCC2CCCCN2C)C(C)C 34a_100000185798_100015186950 [0,1,0,0,0,1|1,0,1]=4 1070 B20R2.156308 Cc1ccc(c(c1)OCC2CCCCN2C)C(C)C 7a_100000185798_100015185383 [0,1,0,0,0,1|1,0,1]=4 1071 B20R2.155584 Cc1cc(c(cc1Cl)C(C)C)OCCc2nnn[nH]2 7a_100000211603_100000031946 [0,1,0,0,0,1|2,0,0]=4 1072 B20R2.155584 Cc1cc(c(cc1N)C(C)C)OCCc2nnn[nH]2 7a_100000686282_100000031946 [0,1,0,0,0,1|2,0,0]=4 1073 B20R2.156451 Cc1ccc(c(c1)COCC2=NCCN2)C(F)(F)F 34a_100000084233_100000737910 [0,1,0,0,0,1|2,0,0]=4 1074 B20R2.156451 Cc1ccc(c(c1)COCC2=NCCN2)C(F)(F)F 7a_100000084233_100000737910 [0,1,0,0,0,1|2,0,0]=4 1075 B20R2.156451 Cc1ccc(c(c1)OCCc2nnn[nH]2)C(C)(C)C 7a_100000212021_100000031946 [0,1,0,0,0,1|2,0,0]=4 1076 B20R2.156455 Cc1ccc(c(c1)OCCC2CCCN2C)C(C)C 34a_100000185798_100000005710 [0,1,0,0,0,1|1,0,1]=4 1077 B20R2.156455 Cc1ccc(c(c1)OCCC2CCCN2C)C(C)C 7a_100000185798_100000005710 [0,1,0,0,0,1|1,0,1]=4 1078 B20R2.155703 CC(C)Oc1cc(c(cc1SCC2=NCCN2)F)F 62a_100000737910_200010158979 [0,1,0,0,0,1|1,1,0]=4 1079 B20R2.155703 CC(C)Oc1cc(c(cc1SCC2=NCCN2)F)F 62a_200010158979_100000737910 [0,1,0,0,0,1|1,1,0]=4 1080 B20R2.309714 CC(C)Oc1ccc(cc1SCC2=NCCN2)C=O 62a_100000737910_200000173091 [0,1,0,0,0,1|0,1,1]=4 1081 B20R2.309714 CC(C)Oc1ccc(cc1SCC2=NCCN2)C=O 62a_200000173091_100000737910 [0,1,0,0,0,1|0,1,1]=4 1082 B20R2.2232237 CC(C)Oc1c(cc(cc1OCC2=NCCN2)F)Br 34a_200010167159_100000737910 [0,1,0,0,0,1|1,0,0]=3 1083 B20R2.2232237 CC(C)Oc1c(cc(cc1OCC2=NCCN2)F)Br 7a_200010167159_100000737910 [0,1,0,0,0,1|1,0,0]=3 1084 B20R2.2232237 CC(C)Oc1c(cc(cc1SCC2=NCCN2)F)O 62a_100000737910_200010167159 [0,1,0,0,0,1|1,1,0]=4 1085 B20R2.2232237 CC(C)Oc1c(cc(cc1SCC2=NCCN2)F)O 62a_200010167159_100000737910 [0,1,0,0,0,1|1,1,0]=4 1086 B20R2.2731192 CC(C)(C)Oc1ccc(cc1NCC2=NCCN2)F 34a_100011250516_100000737910 [0,1,0,0,0,1|2,0,0]=4 1087 B20R2.2731192 CC(C)(C)Oc1ccc(cc1NCC2=NCCN2)F 7a_100011250516_100000737910 [0,1,0,0,0,1|2,0,0]=4 1088 B20R2.67082 Cc1ccc(c(c1)OCc2n[nH]c(=O)[nH]2)C(C)(C)C 7a_100000212021_100000754189 [0,2,0,0,0,0|1,0,1]=4 1089 B20R2.659731 Cc1ccc(c(c1)OCc2n[nH]c(=O)n2C)C(C)C 7a_100000185798_100010408635 [0,2,0,0,0,0|1,0,1]=4 1090 B20R2.2660549 Cc1cc(c(cc1Cl)C(C)C)OCc2n[nH]c(=O)[nH]2 7a_100000211603_100000754189 [0,2,0,0,0,0|1,0,1]=4 1091 B20R2.2660549 Cc1cc(c(cc1N)C(C)C)OCc2n[nH]c(=O)[nH]2 7a_100000686282_100000754189 [0,2,0,0,0,0|1,0,1]=4 1092 B20R2.306836 COc1cc(c(cc1Br)C(=O)C)OCC2=NCCN2 7a_100009813116_100000737910 [0,2,0,0,0,0|1,0,1]=4 1093 B20R2.307250 Cc1cc(c(cc1N=O)C(C)C)OCC2=NCCN2 34a_100000073507_100000737910 [0,2,0,0,0,0|0,0,0]=2 1094 B20R2.307250 Cc1cc(c(cc1N=O)C(C)C)OCC2=NCCN2 7a_100000073507_100000737910 [0,2,0,0,0,0|0,0,0]=2 1095 B20R2.307250 Cc1cc(c(cc1N=O)C(C)C)OCc2ncc[nH]2 34a_100000073507_100016991755 [0,2,0,0,0,0|0,0,2]=4 1096 B20R2.307250 Cc1cc(c(cc1N=O)C(C)C)OCc2ncc[nH]2 7a_100000073507_100000753453 [0,2,0,0,0,0|0,0,2]=4 1097 B20R2.307250 Cc1cc(c(cc1N=O)C(C)C)OCc2nnn[nH]2 34a_100000073507_100000765167 [0,2,0,0,0,0|2,0,0]=4 1098 B20R2.307250 Cc1cc(c(cc1N=O)C(C)C)OCc2nnn[nH]2 7a_100000073507_100000765167 [0,2,0,0,0,0|2,0,0]=4 1099 B20R2.536543 Cc1cc(c(cc1Cl)C(C)C)OCc2nccn2C 34a_100000211603_100000700302 [0,2,0,0,0,0|0,0,2]=4 1100 B20R2.536543 Cc1cc(c(cc1Cl)C(C)C)OCc2nccn2C 7a_100000211603_100000700302 [0,2,0,0,0,0|0,0,2]=4 1101 B20R2.536543 Cc1cc(c(cc1N)C(C)C)OCc2nccn2C 34a_100000686282_100000700302 [0,2,0,0,0,0|0,0,2]=4 1102 B20R2.536543 Cc1cc(c(cc1N)C(C)C)OCc2nccn2C 7a_100000686282_100000700302 [0,2,0,0,0,0|0,0,2]=4 1103 B20R2.1368330 COC(=O)c1cc(c(cc1OCC2=NCCN2)C)Br 34a_100010233952_100000737910 [0,2,0,0,0,0|1,0,1]=4 1104 B20R2.1368330 COC(=O)c1cc(c(cc1OCC2=NCCN2)C)Br 7a_100010233952_100000737910 [0,2,0,0,0,0|1,0,1]=4 1105 B20R2.1368330 COC(=O)c1cc(c(cc1OCC2=NCCN2)C)Cl 34a_200010164355_100000737910 [0,2,0,0,0,0|1,0,1]=4 1106 B20R2.1368330 COC(=O)c1cc(c(cc1OCC2=NCCN2)C)Cl 7a_200010164355_100000737910 [0,2,0,0,0,0|1,0,1]=4 1107 B20R2.156494 Cc1ccc(c(c1)OCc2nccn2C)C(C)(C)C 34a_100000212021_100000700302 [0,2,0,0,0,0|0,0,2]=4 1108 B20R2.156494 Cc1ccc(c(c1)OCc2nccn2C)C(C)(C)C 7a_100000212021_100000700302 [0,2,0,0,0,0|0,0,2]=4 1109 B20R2.273177 CCn1cnnc1COc2cc(ccc2C(C)C)C 34a_100000185798_100015368369 [0,2,0,0,0,0|1,0,1]=4 1110 B20R2.273177 CCn1cnnc1COc2cc(ccc2C(C)C)C 7a_100000185798_100015368369 [0,2,0,0,0,0|1,0,1]=4 1111 B20R2.174138 CC(=O)c1ccc(cc1OCC2=NCCN2)N(C)C 34a_100000684426_100000737910 [0,2,0,0,0,0|1,0,1]=4 1112 B20R2.174138 CC(=O)c1cnc(c(c1)SCC2=NCCN2)C(C)C 62a_100000737910_100010986958 [0,2,0,0,0,0|1,1,0]=4 1113 B20R2.174138 CC(=O)c1cnc(c(c1)SCC2=NCCN2)C(C)C 62a_100010986958_100000737910 [0,2,0,0,0,0|1,1,0]=4 1114 B20R2.174138 CC(C)c1ccc(c(c1)OCC2=NCCN2)C(C)C 34a_100009874869_100000737910 [0,2,0,0,0,0|0,0,0]=2 1115 B20R2.174138 CC(C)c1ccc(c(c1)OCC2=NCCN2)C(C)C 7a_100009874869_100000737910 [0,2,0,0,0,0|0,0,0]=2 1116 B20R2.174138 CC(C)c1ccc(c(c1)OCc2ncc[nH]2)C(C)C 34a_100009874869_100016991755 [0,2,0,0,0,0|0,0,2]=4 1117 B20R2.174138 CC(C)c1ccc(c(c1)OCc2ncc[nH]2)C(C)C 7a_100009874869_100000753453 [0,2,0,0,0,0|0,0,2]=4 1118 B20R2.174138 CC(C)c1ccc(c(c1)OCc2nnn[nH]2)C(C)C 34a_100009874869_100000765167 [0,2,0,0,0,0|2,0,0]=4 1119 B20R2.174138 CC(C)c1ccc(c(c1)OCc2nnn[nH]2)C(C)C 7a_100009874869_100000765167 [0,2,0,0,0,0|2,0,0]=4 1120 B20R2.174138 CC(C)c1ccc(cc1NCC2=NCCN2)[N+](=O)[O-] 34a_200016202644_100000737910 [0,2,0,0,0,0|2,0,0]=4 1121 B20R2.174138 CC(C)c1ccc(cc1NCC2=NCCN2)[N+](=O)[O-] 7a_200016202644_100000737910 [0,2,0,0,0,0|2,0,0]=4 1122 B20R2.187870 CCOc1ccc(c(c1)OCC2=NCCN2)C(=O)C 7a_100000040345_100000737910 [0,2,0,0,0,0|1,0,1]=4 1123 B20R2.309711 CCC(=O)c1ccc(cc1OCC2=NCCN2)OC 7a_200000067515_100000737910 [0,2,0,0,0,0|1,0,1]=4 1124 B20R2.309711 COC(=O)c1ccc(cc1OCC2=NCCN2)OC 34a_100000151117_100000737910 [0,2,0,0,0,0|1,0,1]=4 1125 B20R2.309711 COC(=O)c1ccc(cc1OCC2=NCCN2)OC 7a_100000151117_100000737910 [0,2,0,0,0,0|1,0,1]=4 1126 B20R2.720762 CCN(CC)c1ccc(cc1NCC2=NCCN2)C 7a_200011202677_100000737910 [0,2,0,0,0,0|2,0,0]=4 1127 B20R2.1039616 CCOC(=O)c1ccc(cc1OCC2=NCCN2)C 7a_200000170860_100000737910 [0,2,0,0,0,0|1,0,1]=4 1128 B18R2.4064 Cc1ccc(c(c1)OC2C=CCCC2)C(C)C 7a_100000185798_100000751183 [0,0,1,1,0,0|2,0,0]=4 1129 B18R2.530348 Cc1ccc(c(c1)OCC(=O)C2CC2)C(C)C 34a_100000185798_100000746382 [0,0,1,1,0,0|2,0,0]=4 1130 B18R2.530348 Cc1ccc(c(c1)OCC(=O)C2CC2)C(C)C 7a_100000185798_100000746382 [0,0,1,1,0,0|2,0,0]=4 1131 B18R3.36582 c1ccc(c(c1)NCC2=NCCN2)C3CC3 34a_100011236190_100000737910 [1,0,0,1,0,0|1,0,0]=3 1132 B18R3.36582 c1ccc(c(c1)SCC2=NCCN2)C3CC3 62a_100000737910_100009819954 [1,0,0,1,0,0|0,1,0]=3 1133 B18R3.36582 c1ccc(c(c1)SCC2=NCCN2)C3CC3 62a_100009819954_100000737910 [1,0,0,1,0,0|0,1,0]=3 1134 B18R3.36582 c1cnc(c(c1)C2CC2)SCC3=NCCN3 62a_100000737910_100009851976 [1,0,0,1,0,0|1,1,0]=4 1135 B18R3.36582 c1cnc(c(c1)C2CC2)SCC3=NCCN3 62a_200009850273_100000737910 [1,0,0,1,0,0|1,1,0]=4 1136 B16R2.27531 CC(C)c1ccccc1OCC2CCC2 34a_100000211617_100000763275 [1,0,0,0,1,0|1,0,1]=4 1137 B16R2.27531 CC(C)c1ccccc1OCC2CCC2 7a_100000211617_100000763275 [1,0,0,0,1,0|1,0,1]=4 1138 B16R2.27531 CC(C)c1ccccc1OCC2CCO2 34a_100000211617_100000103362 [1,0,0,0,1,0|1,0,1]=4 1139 B16R2.27531 CC(C)c1ccccc1OCC2CCO2 7a_100000211617_100000103362 [1,0,0,0,1,0|1,0,1]=4 1140 B16R2.2994 Cc1ccc(c(c1)c2ncc[nH]2)C(C)C 271570a_100011011135_100025796157 [0,0,0,0,2,0|0,0,2]=4 1141 B16R2.84546 Cc1ccc(c(c1)CN2CCC2)C(C)C 26a_100000754969_100000185798 [0,0,0,0,2,0|2,0,0]=4 1142 B16R2.84546 Cc1ccc(c(c1)OC2CCC2)C(C)C 34a_100000185798_100000749161 [0,0,0,0,2,0|1,0,1]=4 1143 B16R2.12625 Cc1ccc(c(c1)OCC2CC2)C(C)C 34a_100000185798_100000742324 [0,0,0,0,2,0|0,0,1]=3 1144 B16R2.12625 Cc1ccc(c(c1)OCC2CC2)C(C)C 7a_100000185798_100000742324 [0,0,0,0,2,0|0,0,1]=3 1145 B16R2.12625 Cc1ccc(c(c1)OCC2CO2)C(C)C 34a_100000185798_102125554688 [0,0,0,0,2,0|1,0,1]=4 1146 B16R2.12625 Cc1ccc(c(c1)OCC2CO2)C(C)C 7a_100000185798_102125554688 [0,0,0,0,2,0|1,0,1]=4 1147 B16R2.12625 Cc1ccc(c(c1)OCC2CS2)C(C)C 7a_100000185798_100000031435 [0,0,0,0,2,0|1,0,1]=4 1148 B16R2.12625 Cc1ccc(c(c1)OC[C@@H]2CO2)C(C)C 7a_100000185798_100000745022 [0,0,0,0,2,0|1,0,1]=4 1149 B18R1.4868 CCNC(=O)CNc1cc(ccc1OC(C)C)C 2230a_200103155816_100000183381 [0,0,1,0,0,1|2,0,0]=4 1150 B18R1.4868 CCNC(=O)CNc1cc(ccc1OC(C)C)C 34a_200103155816_100000183381 [0,0,1,0,0,1|2,0,0]=4 1151 B18R1.4868 CCNC(=O)CNc1cc(ccc1OC(C)C)C 7a_200103155816_100000183381 [0,0,1,0,0,1|2,0,0]=4 1152 B18R2.7145 CC(C)c1ccccc1OCCc2nnn[nH]2 7a_100000211617_100000031946 [1,0,0,0,0,1|2,0,0]=4 1153 B18R2.7145 CC(C)c1cccnc1COCC2=NCCN2 34a_200009878718_100000737910 [1,0,0,0,0,1|1,0,0]=3 1154 B18R2.7145 CC(C)c1cccnc1CSCC2=NCCN2 62a_100000737910_200134614246 [1,0,0,0,0,1|1,1,0]=4 1155 B18R2.7145 CC(C)c1cccnc1CSCC2=NCCN2 62a_200134614246_100000737910 [1,0,0,0,0,1|1,1,0]=4 1156 B18R2.9915 CC(=O)Nc1ccccc1OCC2=NCCN2 34a_100000185124_100000737910 [1,0,0,0,0,1|1,0,1]=4 1157 B18R2.9915 CC(=O)Nc1ccccc1OCC2=NCCN2 7a_100000185124_100000737910 [1,0,0,0,0,1|1,0,1]=4 1158 B18R2.9915 CC(C)Nc1ccccc1SCC2=NCCN2 62a_100000219599_100000737910 [1,0,0,0,0,1|0,1,0]=3 1159 B18R2.9915 CC(C)Nc1ccccc1SCC2=NCCN2 62a_100000737910_100000219599 [1,0,0,0,0,1|0,1,0]=3 1160 B18R2.9915 CC(C)Oc1ccccc1NCC2=NCCN2 34a_100000739276_100000737910 [1,0,0,0,0,1|1,0,0]=3 1161 B18R2.9915 CC(C)Oc1ccccc1OCC2=NCCN2 34a_100011218612_100000737910 [1,0,0,0,0,1|0,0,0]=2 1162 B18R2.9915 CC(C)Oc1ccccc1OCC2=NCCN2 7a_100011218612_100000737910 [1,0,0,0,0,1|0,0,0]=2 1163 B18R2.9915 CC(C)Oc1ccccc1OCc2ncc[nH]2 34a_100011218612_100016991755 [1,0,0,0,0,1|0,0,2]=4 1164 B18R2.9915 CC(C)Oc1ccccc1OCc2ncc[nH]2 7a_100011218612_100000753453 [1,0,0,0,0,1|0,0,2]=4 1165 B18R2.9915 CC(C)Oc1ccccc1OCc2nnn[nH]2 34a_100011218612_100000765167 [1,0,0,0,0,1|2,0,0]=4 1166 B18R2.9915 CC(C)Oc1ccccc1OCc2nnn[nH]2 7a_100011218612_100000765167 [1,0,0,0,0,1|2,0,0]=4 1167 B18R2.9915 CC(C)Oc1ccccc1SCC2=NCCN2 62a_100000173919_100000737910 [1,0,0,0,0,1|0,1,0]=3 1168 B18R2.9915 CC(C)Oc1ccccc1SCC2=NCCN2 62a_100000737910_100000173919 [1,0,0,0,0,1|0,1,0]=3 1169 B18R2.9915 CC(C)Oc1ncccc1SCC2=NCCN2 62a_100000737910_200011465186 [1,0,0,0,0,1|1,1,0]=4 1170 B18R2.9915 CC(C)Oc1ncccc1SCC2=NCCN2 62a_200011465186_100000737910 [1,0,0,0,0,1|1,1,0]=4 1171 B18R2.9915 CC(C)Sc1ccccc1NCC2=NCCN2 34a_100000688217_100000737910 [1,0,0,0,0,1|1,0,0]=3 1172 B18R2.9915 CN(C)Cc1ccccc1SCC2=NCCN2 62a_100000174758_100000737910 [1,0,0,0,0,1|1,1,0]=4 1173 B18R2.9915 CN(C)Cc1ccccc1SCC2=NCCN2 62a_100000737910_100000174758 [1,0,0,0,0,1|1,1,0]=4 1174 B18R2.9915 FC(F)Oc1ccccc1OCC2=NCCN2 34a_100000752575_100000737910 [1,0,0,0,0,1|2,0,0]=4 1175 B18R2.9915 FC(F)Oc1ccccc1OCC2=NCCN2 7a_100000752575_100000737910 [1,0,0,0,0,1|2,0,0]=4 1176 B18R2.13602 CCc1ccc(cc1COCC2=NCCN2)Br 34a_100010766240_100000737910 [1,0,0,0,0,1|1,0,0]=3 1177 B18R2.13602 CCc1ccc(cc1COCC2=NCCN2)Br 7a_100010766240_100000737910 [1,0,0,0,0,1|1,0,0]=3 1178 B18R2.13602 COc1ccc(cc1COCC2=NCCN2)Br 34a_100000204679_100000737910 [1,0,0,0,0,1|2,0,0]=4 1179 B18R2.13602 COc1ccc(cc1COCC2=NCCN2)Br 7a_100000204679_100000737910 [1,0,0,0,0,1|2,0,0]=4 1180 B18R2.13602 COc1ccc(cc1COCC2=NCCN2)C 34a_200000246444_100000737910 [1,0,0,0,0,1|1,0,0]=3 1181 B18R2.13602 COc1ccc(cc1COCC2=NCCN2)C 7a_200000246444_100000737910 [1,0,0,0,0,1|1,0,0]=3 1182 B18R2.13602 COc1ccc(cc1COCC2=NCCN2)F 34a_100011266440_100000737910 [1,0,0,0,0,1|2,0,0]=4 1183 B18R2.13602 COc1ccc(cc1COCC2=NCCN2)F 7a_100011266440_100000737910 [1,0,0,0,0,1|2,0,0]=4 1184 B18R2.13602 COc1ccc(cc1COCC2=NCCN2)I 34a_200137411115_100000737910 [1,0,0,0,0,1|2,0,0]=4 1185 B18R2.13602 COc1ccc(cc1COCC2=NCCN2)I 7a_200137411115_100000737910 [1,0,0,0,0,1|2,0,0]=4 1186 B18R2.13602 COc1ccc(cc1CSCC2=NCCN2)C 62a_100000199068_100000737910 [1,0,0,0,0,1|1,1,0]=4 1187 B18R2.13602 COc1ccc(cc1CSCC2=NCCN2)C 62a_100000737910_100000199068 [1,0,0,0,0,1|1,1,0]=4 1188 B18R2.29318 CC(=O)c1cc(cc(c1)OCC2=NCCN2)C 34a_100009855872_100000737910 [0,0,0,0,1,1|1,0,1]=4 1189 B18R2.29318 CC(=O)c1cc(cc(c1)OCC2=NCCN2)C 7a_100009855872_100000737910 [0,0,0,0,1,1|1,0,1]=4 1190 B18R2.29318 CC(C)c1cc(cc(c1)NCC2=NCCN2)Br 34a_100010369243_100000737910 [0,0,0,0,1,1|2,0,0]=4 1191 B18R2.29318 CC(C)c1cc(cc(c1)NCC2=NCCN2)Br 7a_100010369243_100000737910 [0,0,0,0,1,1|2,0,0]=4 1192 B18R2.29318 CC(C)c1cc(cc(c1)SCC2=NCCN2)Br 62a_100000737910_200015473176 [0,0,0,0,1,1|1,1,0]=4 1193 B18R2.29318 CC(C)c1cc(cc(c1)SCC2=NCCN2)Br 62a_200015473176_100000737910 [0,0,0,0,1,1|1,1,0]=4 1194 B18R2.29318 CC(C)c1cc(cc(c1)SCC2=NCCN2)N 62a_100000737910_100010369243 [0,0,0,0,1,1|1,1,0]=4 1195 B18R2.29318 CC(C)c1cc(cc(c1)SCC2=NCCN2)N 62a_100010369243_100000737910 [0,0,0,0,1,1|1,1,0]=4 1196 B18R2.29318 Cc1cc(cc(n1)N(C)C)OCC2=NCCN2 34a_200009824162_100000737910 [0,0,0,0,1,1|2,0,0]=4 1197 B18R2.29318 Cc1cc(nc(n1)C(C)C)SCC2=NCCN2 62a_100000217492_100000737910 [0,0,0,0,1,1|1,1,0]=4 1198 B18R2.29318 Cc1cc(nc(n1)C(C)C)SCC2=NCCN2 62a_100000737910_100000217492 [0,0,0,0,1,1|1,1,0]=4 1199 B18R2.9004 CC(=O)c1ccc(c(c1)OCC2=NCCN2)C 34a_100000084092_100000737910 [0,0,0,0,1,1|1,0,1]=4 1200 B18R2.9004 CC(=O)c1ccc(c(c1)OCC2=NCCN2)C 7a_100000084092_100000737910 [0,0,0,0,1,1|1,0,1]=4 1201 B18R2.9004 CC(C)c1ccc(c(c1)NCC2=NCCN2)O 34a_200000187366_100000737910 [0,0,0,0,1,1|2,0,0]=4 1202 B18R2.9004 CC(C)c1ccc(c(c1)NCC2=NCCN2)O 7a_200000187366_100000737910 [0,0,0,0,1,1|2,0,0]=4 1203 B18R2.9004 CC(C)c1ccc(c(c1)SCC2=NCCN2)N 62a_100000737910_100011218581 [0,0,0,0,1,1|1,1,0]=4 1204 B18R2.9004 CC(C)c1ccc(c(c1)SCC2=NCCN2)N 62a_100011218581_100000737910 [0,0,0,0,1,1|1,1,0]=4 1205 B18R2.9004 Cc1ccc(cc1NCC2=NCCN2)C(C)C 34a_100011216979_100000737910 [0,0,0,0,1,1|1,0,0]=3 1206 B18R2.9004 Cc1ccc(cc1NCC2=NCCN2)C(C)C 7a_100011216979_100000737910 [0,0,0,0,1,1|1,0,0]=3 1207 B18R2.9004 Cc1ccc(cc1NCC2=NCCN2)N(C)C 34a_100015186894_100000737910 [0,0,0,0,1,1|2,0,0]=4 1208 B18R2.9004 Cc1ccc(cc1OCC2=NCCN2)C(C)C 34a_100000212073_100000737910 [0,0,0,0,1,1|0,0,0]=2 1209 B18R2.9004 Cc1ccc(cc1OCC2=NCCN2)C(C)C 7a_100000212073_100000737910 [0,0,0,0,1,1|0,0,0]=2 1210 B18R2.9004 Cc1ccc(cc1OCc2ncc[nH]2)C(C)C 34a_100000212073_100016991755 [0,0,0,0,1,1|0,0,2]=4 1211 B18R2.9004 Cc1ccc(cc1OCc2ncc[nH]2)C(C)C 7a_100000212073_100000753453 [0,0,0,0,1,1|0,0,2]=4 1212 B18R2.9004 Cc1ccc(cc1OCc2nnn[nH]2)C(C)C 34a_100000212073_100000765167 [0,0,0,0,1,1|2,0,0]=4 1213 B18R2.9004 Cc1ccc(cc1OCc2nnn[nH]2)C(C)C 7a_100000212073_100000765167 [0,0,0,0,1,1|2,0,0]=4 1214 B20R2.156492 Cc1cnc(c(c1)SCC2=NCCN2)OCC(C)C 62a_100000737910_200012348017 [0,0,0,0,0,2|1,1,0]=4 1215 B20R2.156492 Cc1cnc(c(c1)SCC2=NCCN2)OCC(C)C 62a_200012348017_100000737910 [0,0,0,0,0,2|1,1,0]=4