0 B17R2.41794 CC(Cc1c(cccc1Cl)Cl)N2CCCC2 270004a_100000188435_100000692661 [0,0,0,0,0,0|4,0,0]=4 1 B16R2.25778 Brc1cccc(c1NCC2=NCCN2)Br 34a_100000690995_100000737910 [1,0,0,0,0,0|1,2,0]=4 2 B16R2.25778 Brc1cccc(c1OCC2=NCCN2)Br 34a_100000736428_100000737910 [1,0,0,0,0,0|0,2,0]=3 3 B16R2.25778 Brc1cccc(c1OCC2=NCCN2)Br 7a_100000736428_100000737910 [1,0,0,0,0,0|0,2,0]=3 4 B16R2.25778 Brc1cccc(c1OCC2=NCCN2)I 34a_100010084509_100000737910 [1,0,0,0,0,0|0,2,0]=3 5 B16R2.25778 Brc1cccc(c1OCC2=NCCN2)I 7a_100010084509_100000737910 [1,0,0,0,0,0|0,2,0]=3 6 B16R2.25778 Brc1cccc(c1SCC2=NCCN2)Br 62a_100000737910_100009994525 [1,0,0,0,0,0|0,3,0]=4 7 B16R2.25778 Brc1cccc(c1SCC2=NCCN2)Br 62a_100009994525_100000737910 [1,0,0,0,0,0|0,3,0]=4 8 B16R2.25778 Cc1cccc(c1NCC2=NCCN2)Br 34a_100011834072_100000737910 [1,0,0,0,0,0|2,1,0]=4 9 B16R2.25778 Cc1cccc(c1NCC2=NCCN2)C 34a_100000185769_100000737910 [1,0,0,0,0,0|3,0,0]=4 10 B16R2.25778 Cc1cccc(c1NCC2=NCCN2)Cl 34a_100000756524_100000737910 [1,0,0,0,0,0|2,0,0]=3 11 B16R2.25778 Cc1cccc(c1NCC2=NCCN2)F 34a_100000766463_100000737910 [1,0,0,0,0,0|2,1,0]=4 12 B16R2.25778 Cc1cccc(c1NCC2=NCCN2)O 34a_100000743429_100000737910 [1,0,0,0,0,0|3,0,0]=4 13 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)Br 34a_100009817157_100000737910 [1,0,0,0,0,0|1,1,0]=3 14 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)Br 7a_100009817157_100000737910 [1,0,0,0,0,0|1,1,0]=3 15 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)C 34a_100000210341_100000737910 [1,0,0,0,0,0|2,0,0]=3 16 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)C 7a_100000210341_100000737910 [1,0,0,0,0,0|2,0,0]=3 17 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)Cl 34a_100000033731_100000737910 [1,0,0,0,0,0|1,0,0]=2 18 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)Cl 7a_100000033731_100000737910 [1,0,0,0,0,0|1,0,0]=2 19 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)F 34a_100011659162_100000737910 [1,0,0,0,0,0|1,1,0]=3 20 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)F 7a_100011659162_100000737910 [1,0,0,0,0,0|1,1,0]=3 21 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)N 34a_100000756359_100000737910 [1,0,0,0,0,0|2,0,0]=3 22 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)N 7a_100000756359_100000737910 [1,0,0,0,0,0|2,0,0]=3 23 B16R2.25778 Cc1cccc(c1OCc2ncc[nH]2)Cl 34a_100000033731_100016991755 [1,0,0,0,0,0|1,0,2]=4 24 B16R2.25778 Cc1cccc(c1OCc2ncc[nH]2)Cl 7a_100000033731_100000753453 [1,0,0,0,0,0|1,0,2]=4 25 B16R2.25778 Cc1cccc(c1OCc2nnn[nH]2)Cl 34a_100000033731_100000765167 [1,0,0,0,0,0|3,0,0]=4 26 B16R2.25778 Cc1cccc(c1OCc2nnn[nH]2)Cl 7a_100000033731_100000765167 [1,0,0,0,0,0|3,0,0]=4 27 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)Br 62a_100000737910_100010141302 [1,0,0,0,0,0|1,2,0]=4 28 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)Br 62a_100010141302_100000737910 [1,0,0,0,0,0|1,2,0]=4 29 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)C 62a_100000033847_100000737910 [1,0,0,0,0,0|2,1,0]=4 30 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)C 62a_100000737910_100000033847 [1,0,0,0,0,0|2,1,0]=4 31 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)Cl 62a_100000043165_100000737910 [1,0,0,0,0,0|1,1,0]=3 32 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)Cl 62a_100000737910_100000043165 [1,0,0,0,0,0|1,1,0]=3 33 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)F 62a_100000737910_100011218421 [1,0,0,0,0,0|1,2,0]=4 34 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)F 62a_100011218421_100000737910 [1,0,0,0,0,0|1,2,0]=4 35 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)N 62a_100000684715_100000737910 [1,0,0,0,0,0|2,1,0]=4 36 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)N 62a_100000737910_100000684715 [1,0,0,0,0,0|2,1,0]=4 37 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)O 62a_100000686692_100000737910 [1,0,0,0,0,0|2,1,0]=4 38 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)O 62a_100000737910_100000686692 [1,0,0,0,0,0|2,1,0]=4 39 B16R2.25778 Cc1ccnc(c1OCC2=NCCN2)C 34a_100011934651_100000737910 [1,0,0,0,0,0|3,0,0]=4 40 B16R2.25778 Cc1ccnc(c1OCC2=NCCN2)C 7a_100011934651_100000737910 [1,0,0,0,0,0|3,0,0]=4 41 B16R2.25778 Cc1ccnc(c1OCC2=NCCN2)Cl 34a_100000696282_100000737910 [1,0,0,0,0,0|2,0,0]=3 42 B16R2.25778 Cc1ccnc(c1OCC2=NCCN2)Cl 7a_100000696282_100000737910 [1,0,0,0,0,0|2,0,0]=3 43 B16R2.25778 Cc1ccnc(c1SCC2=NCCN2)Cl 62a_100000737910_100010248874 [1,0,0,0,0,0|2,1,0]=4 44 B16R2.25778 Cc1ccnc(c1SCC2=NCCN2)Cl 62a_100010248874_100000737910 [1,0,0,0,0,0|2,1,0]=4 45 B16R2.25778 Cc1occc(=O)c1OCC2=NCCN2 34a_100000031901_100000737910 [1,0,0,0,0,0|3,0,0]=4 46 B16R2.25778 Clc1cccc(c1NCC2=NCCN2)Br 34a_100102946385_100000737910 [1,0,0,0,0,0|1,1,0]=3 47 B16R2.25778 Clc1cccc(c1NCC2=NCCN2)Cl 34a_100000210028_100000737910 [1,0,0,0,0,0|1,0,0]=2 48 B16R2.25778 Clc1cccc(c1NCc2ncc[nH]2)Cl 34a_100000210028_100016991755 [1,0,0,0,0,0|1,0,2]=4 49 B16R2.25778 Clc1cccc(c1NCc2nnn[nH]2)Cl 34a_100000210028_100000765167 [1,0,0,0,0,0|3,0,0]=4 50 B16R2.25778 Clc1cccc(c1OCC2=NCCN2)Br 34a_100010214474_100000737910 [1,0,0,0,0,0|0,1,0]=2 51 B16R2.25778 Clc1cccc(c1OCC2=NCCN2)Br 7a_100010214474_100000737910 [1,0,0,0,0,0|0,1,0]=2 52 B16R2.25778 Clc1cccc(c1OCC2=NCCN2)Cl 34a_100000211709_100000737910 [1,0,0,0,0,0|0,0,0]=1 53 B16R2.25778 Clc1cccc(c1OCC2=NCCN2)Cl 7a_100000211709_100000737910 [1,0,0,0,0,0|0,0,0]=1 54 B16R2.25778 Clc1cccc(c1OCC2=NCCN2)I 34a_100010202889_100000737910 [1,0,0,0,0,0|0,1,0]=2 55 B16R2.25778 Clc1cccc(c1OCC2=NCCN2)I 7a_100010202889_100000737910 [1,0,0,0,0,0|0,1,0]=2 56 B16R2.25778 Clc1cccc(c1OCC2CCCC2)Cl 34a_100000211709_100000740388 [1,0,0,0,0,0|2,0,1]=4 57 B16R2.25778 Clc1cccc(c1OCC2CCCC2)Cl 7a_100000211709_100000740388 [1,0,0,0,0,0|2,0,1]=4 58 B16R2.25778 Clc1cccc(c1OCC2CCCO2)Cl 7a_100000211709_100000203698 [1,0,0,0,0,0|2,0,1]=4 59 B16R2.25778 Clc1cccc(c1OCC2OCCO2)Cl 34a_100000211709_100000755774 [1,0,0,0,0,0|2,0,1]=4 60 B16R2.25778 Clc1cccc(c1OCC2OCCO2)Cl 7a_100000211709_100000755774 [1,0,0,0,0,0|2,0,1]=4 61 B16R2.25778 Clc1cccc(c1OCc2c[nH]cn2)Cl 34a_100000211709_100000707719 [1,0,0,0,0,0|2,0,1]=4 62 B16R2.25778 Clc1cccc(c1OCc2ccn[nH]2)Cl 34a_100000211709_100000728653 [1,0,0,0,0,0|2,0,1]=4 63 B16R2.25778 Clc1cccc(c1OCc2ccn[nH]2)Cl 7a_100000211709_100000728653 [1,0,0,0,0,0|2,0,1]=4 64 B16R2.25778 Clc1cccc(c1OCc2ccon2)Cl 34a_100000211709_100000234950 [1,0,0,0,0,0|2,0,1]=4 65 B16R2.25778 Clc1cccc(c1OCc2ccon2)Cl 7a_100000211709_100000234950 [1,0,0,0,0,0|2,0,1]=4 66 B16R2.25778 Clc1cccc(c1OCc2cscn2)Cl 34a_100000211709_100000205941 [1,0,0,0,0,0|2,0,1]=4 67 B16R2.25778 Clc1cccc(c1OCc2cscn2)Cl 7a_100000211709_100000205941 [1,0,0,0,0,0|2,0,1]=4 68 B16R2.25778 Clc1cccc(c1OCc2ncc[nH]2)Br 34a_100010214474_100016991755 [1,0,0,0,0,0|0,1,2]=4 69 B16R2.25778 Clc1cccc(c1OCc2ncc[nH]2)Br 7a_100010214474_100000753453 [1,0,0,0,0,0|0,1,2]=4 70 B16R2.25778 Clc1cccc(c1OCc2ncc[nH]2)Cl 34a_100000211709_100016991755 [1,0,0,0,0,0|0,0,2]=3 71 B16R2.25778 Clc1cccc(c1OCc2ncc[nH]2)Cl 7a_100000211709_100000753453 [1,0,0,0,0,0|0,0,2]=3 72 B16R2.25778 Clc1cccc(c1OCc2ncc[nH]2)I 34a_100010202889_100016991755 [1,0,0,0,0,0|0,1,2]=4 73 B16R2.25778 Clc1cccc(c1OCc2ncc[nH]2)I 7a_100010202889_100000753453 [1,0,0,0,0,0|0,1,2]=4 74 B16R2.25778 Clc1cccc(c1OCc2ncco2)Cl 34a_100000211709_103436540062 [1,0,0,0,0,0|1,0,2]=4 75 B16R2.25778 Clc1cccc(c1OCc2ncco2)Cl 7a_100000211709_103436540062 [1,0,0,0,0,0|1,0,2]=4 76 B16R2.25778 Clc1cccc(c1OCc2nccs2)Cl 34a_100000211709_100015184050 [1,0,0,0,0,0|1,0,2]=4 77 B16R2.25778 Clc1cccc(c1OCc2nccs2)Cl 7a_100000211709_100015184050 [1,0,0,0,0,0|1,0,2]=4 78 B16R2.25778 Clc1cccc(c1OCc2ncon2)Cl 34a_100000211709_100000233494 [1,0,0,0,0,0|1,0,2]=4 79 B16R2.25778 Clc1cccc(c1OCc2nnn[nH]2)Br 34a_100010214474_100000765167 [1,0,0,0,0,0|2,1,0]=4 80 B16R2.25778 Clc1cccc(c1OCc2nnn[nH]2)Br 7a_100010214474_100000765167 [1,0,0,0,0,0|2,1,0]=4 81 B16R2.25778 Clc1cccc(c1OCc2nnn[nH]2)Cl 34a_100000211709_100000765167 [1,0,0,0,0,0|2,0,0]=3 82 B16R2.25778 Clc1cccc(c1OCc2nnn[nH]2)Cl 7a_100000211709_100000765167 [1,0,0,0,0,0|2,0,0]=3 83 B16R2.25778 Clc1cccc(c1OCc2nnn[nH]2)I 34a_100010202889_100000765167 [1,0,0,0,0,0|2,1,0]=4 84 B16R2.25778 Clc1cccc(c1OCc2nnn[nH]2)I 7a_100010202889_100000765167 [1,0,0,0,0,0|2,1,0]=4 85 B16R2.25778 Clc1cccc(c1SCC2=NCCN2)Br 62a_100000737910_100010214488 [1,0,0,0,0,0|0,2,0]=3 86 B16R2.25778 Clc1cccc(c1SCC2=NCCN2)Br 62a_100010214488_100000737910 [1,0,0,0,0,0|0,2,0]=3 87 B16R2.25778 Clc1cccc(c1SCC2=NCCN2)Cl 62a_100000034237_100000737910 [1,0,0,0,0,0|0,1,0]=2 88 B16R2.25778 Clc1cccc(c1SCC2=NCCN2)Cl 62a_100000737910_100000034237 [1,0,0,0,0,0|0,1,0]=2 89 B16R2.25778 Clc1cccc(c1SCc2ncc[nH]2)Cl 62a_100000034237_100016991755 [1,0,0,0,0,0|0,1,2]=4 90 B16R2.25778 Clc1cccc(c1SCc2ncc[nH]2)Cl 62a_100016991755_100000034237 [1,0,0,0,0,0|0,1,2]=4 91 B16R2.25778 Clc1cccc(c1SCc2nnn[nH]2)Cl 62a_100000034237_100000765167 [1,0,0,0,0,0|2,1,0]=4 92 B16R2.25778 Clc1cccc(c1SCc2nnn[nH]2)Cl 62a_100000765167_100000034237 [1,0,0,0,0,0|2,1,0]=4 93 B16R2.25778 Clc1ccnc(c1OCC2=NCCN2)Cl 34a_100000118450_100000737910 [1,0,0,0,0,0|1,0,0]=2 94 B16R2.25778 Clc1ccnc(c1OCC2=NCCN2)Cl 7a_100000118450_100000737910 [1,0,0,0,0,0|1,0,0]=2 95 B16R2.25778 Clc1ccnc(c1OCc2ncc[nH]2)Cl 34a_100000118450_100016991755 [1,0,0,0,0,0|1,0,2]=4 96 B16R2.25778 Clc1ccnc(c1OCc2ncc[nH]2)Cl 7a_100000118450_100000753453 [1,0,0,0,0,0|1,0,2]=4 97 B16R2.25778 Clc1ccnc(c1OCc2nnn[nH]2)Cl 34a_100000118450_100000765167 [1,0,0,0,0,0|3,0,0]=4 98 B16R2.25778 Clc1ccnc(c1OCc2nnn[nH]2)Cl 7a_100000118450_100000765167 [1,0,0,0,0,0|3,0,0]=4 99 B16R2.25778 Clc1ccnc(c1SCC2=NCCN2)Cl 62a_100000050019_100000737910 [1,0,0,0,0,0|1,1,0]=3 100 B16R2.25778 Clc1ccnc(c1SCC2=NCCN2)Cl 62a_100000737910_100000050019 [1,0,0,0,0,0|1,1,0]=3 101 B16R2.25778 Clc1cncc(c1SCC2=NCCN2)Cl 62a_100000036193_100000737910 [1,0,0,0,0,0|1,1,0]=3 102 B16R2.25778 Clc1cncc(c1SCC2=NCCN2)Cl 62a_100000737910_100000036193 [1,0,0,0,0,0|1,1,0]=3 103 B16R2.25778 Clc1nccc(c1OCC2=NCCN2)I 34a_100010067911_100000737910 [1,0,0,0,0,0|1,1,0]=3 104 B16R2.25778 Clc1nccc(c1OCC2=NCCN2)I 7a_100010067911_100000737910 [1,0,0,0,0,0|1,1,0]=3 105 B16R2.25778 Clc1nccc(c1SCC2=NCCN2)Br 62a_100000737910_100009814607 [1,0,0,0,0,0|1,2,0]=4 106 B16R2.25778 Clc1nccc(c1SCC2=NCCN2)Br 62a_100009814607_100000737910 [1,0,0,0,0,0|1,2,0]=4 107 B16R2.25778 Clc1ncnc(c1OCC2=NCCN2)Cl 34a_100009876168_100000737910 [1,0,0,0,0,0|2,0,0]=3 108 B16R2.25778 Clc1ncnc(c1OCC2=NCCN2)Cl 7a_100009876168_100000737910 [1,0,0,0,0,0|2,0,0]=3 109 B16R2.25778 Clc1ncnc(c1SCC2=NCCN2)Cl 62a_100000737910_100012348147 [1,0,0,0,0,0|2,1,0]=4 110 B16R2.25778 Fc1cccc(c1NCC2=NCCN2)Br 34a_100000684712_100000737910 [1,0,0,0,0,0|1,2,0]=4 111 B16R2.25778 Fc1cccc(c1NCC2=NCCN2)Cl 34a_100000760031_100000737910 [1,0,0,0,0,0|1,1,0]=3 112 B16R2.25778 Fc1cccc(c1NCC2=NCCN2)F 34a_100000210704_100000737910 [1,0,0,0,0,0|1,2,0]=4 113 B16R2.25778 Fc1cccc(c1NCC2=NCCN2)I 34a_100000042321_100000737910 [1,0,0,0,0,0|1,2,0]=4 114 B16R2.25778 Fc1cccc(c1OCC2=NCCN2)Br 34a_100009813666_100000737910 [1,0,0,0,0,0|0,2,0]=3 115 B16R2.25778 Fc1cccc(c1OCC2=NCCN2)Br 7a_100009813666_100000737910 [1,0,0,0,0,0|0,2,0]=3 116 B16R2.25778 Fc1cccc(c1OCC2=NCCN2)Cl 34a_100000694953_100000737910 [1,0,0,0,0,0|0,1,0]=2 117 B16R2.25778 Fc1cccc(c1OCC2=NCCN2)Cl 7a_100000694953_100000737910 [1,0,0,0,0,0|0,1,0]=2 118 B16R2.25778 Fc1cccc(c1OCC2=NCCN2)F 34a_100000230165_100000737910 [1,0,0,0,0,0|0,2,0]=3 119 B16R2.25778 Fc1cccc(c1OCC2=NCCN2)F 7a_100000230165_100000737910 [1,0,0,0,0,0|0,2,0]=3 120 B16R2.25778 Fc1cccc(c1OCC2=NCCN2)I 34a_100010186298_100000737910 [1,0,0,0,0,0|0,2,0]=3 121 B16R2.25778 Fc1cccc(c1OCC2=NCCN2)I 7a_100010186298_100000737910 [1,0,0,0,0,0|0,2,0]=3 122 B16R2.25778 Fc1cccc(c1OCc2ncc[nH]2)Cl 34a_100000694953_100016991755 [1,0,0,0,0,0|0,1,2]=4 123 B16R2.25778 Fc1cccc(c1OCc2ncc[nH]2)Cl 7a_100000694953_100000753453 [1,0,0,0,0,0|0,1,2]=4 124 B16R2.25778 Fc1cccc(c1OCc2nnn[nH]2)Cl 34a_100000694953_100000765167 [1,0,0,0,0,0|2,1,0]=4 125 B16R2.25778 Fc1cccc(c1OCc2nnn[nH]2)Cl 7a_100000694953_100000765167 [1,0,0,0,0,0|2,1,0]=4 126 B16R2.25778 Fc1cccc(c1SCC2=NCCN2)Br 62a_100000737910_100011219512 [1,0,0,0,0,0|0,3,0]=4 127 B16R2.25778 Fc1cccc(c1SCC2=NCCN2)Br 62a_100011219512_100000737910 [1,0,0,0,0,0|0,3,0]=4 128 B16R2.25778 Fc1cccc(c1SCC2=NCCN2)Cl 62a_100000050007_100000737910 [1,0,0,0,0,0|0,2,0]=3 129 B16R2.25778 Fc1cccc(c1SCC2=NCCN2)Cl 62a_100000737910_100000050007 [1,0,0,0,0,0|0,2,0]=3 130 B16R2.25778 Fc1cccc(c1SCC2=NCCN2)F 62a_100000693133_100000737910 [1,0,0,0,0,0|0,3,0]=4 131 B16R2.25778 Fc1cccc(c1SCC2=NCCN2)F 62a_100000737910_100000693133 [1,0,0,0,0,0|0,3,0]=4 132 B16R2.25778 Fc1ccnc(c1OCC2=NCCN2)Cl 34a_100009867227_100000737910 [1,0,0,0,0,0|1,1,0]=3 133 B16R2.25778 Fc1ccnc(c1OCC2=NCCN2)Cl 7a_100009867227_100000737910 [1,0,0,0,0,0|1,1,0]=3 134 B16R2.25778 Fc1ccnc(c1SCC2=NCCN2)Cl 62a_100000716511_100000737910 [1,0,0,0,0,0|1,2,0]=4 135 B16R2.25778 Fc1ccnc(c1SCC2=NCCN2)Cl 62a_100000737910_100000716511 [1,0,0,0,0,0|1,2,0]=4 136 B16R2.25778 Nc1cccc(c1OCC2=NCCN2)Br 34a_100011934915_100000737910 [1,0,0,0,0,0|1,1,0]=3 137 B16R2.25778 Nc1cccc(c1OCC2=NCCN2)Cl 34a_100000754742_100000737910 [1,0,0,0,0,0|1,0,0]=2 138 B16R2.25778 Nc1cccc(c1OCC2=NCCN2)F 34a_100011934987_100000737910 [1,0,0,0,0,0|1,1,0]=3 139 B16R2.25778 Nc1cccc(c1OCC2=NCCN2)I 34a_100010084371_100000737910 [1,0,0,0,0,0|1,1,0]=3 140 B16R2.25778 Nc1cccc(c1OCC2=NCCN2)N 34a_200016994477_100000737910 [1,0,0,0,0,0|2,0,0]=3 141 B16R2.25778 Nc1cccc(c1OCc2ncc[nH]2)Cl 34a_100000754742_100016991755 [1,0,0,0,0,0|1,0,2]=4 142 B16R2.25778 Nc1cccc(c1OCc2nnn[nH]2)Cl 34a_100000754742_100000765167 [1,0,0,0,0,0|3,0,0]=4 143 B16R2.25778 Nc1cccc(c1SCC2=NCCN2)Br 62a_100000737910_100020590159 [1,0,0,0,0,0|1,2,0]=4 144 B16R2.25778 Nc1cccc(c1SCC2=NCCN2)Br 62a_100020590159_100000737910 [1,0,0,0,0,0|1,2,0]=4 145 B16R2.25778 Nc1cccc(c1SCC2=NCCN2)Cl 62a_100000049713_100000737910 [1,0,0,0,0,0|1,1,0]=3 146 B16R2.25778 Nc1cccc(c1SCC2=NCCN2)Cl 62a_100000737910_100000049713 [1,0,0,0,0,0|1,1,0]=3 147 B16R2.25778 Nc1cccc(c1SCC2=NCCN2)F 62a_100000690935_100000737910 [1,0,0,0,0,0|1,2,0]=4 148 B16R2.25778 Nc1cccc(c1SCC2=NCCN2)F 62a_100000737910_100000690935 [1,0,0,0,0,0|1,2,0]=4 149 B16R2.25778 Nc1cccc(c1SCC2=NCCN2)O 62a_100000737910_100012183704 [1,0,0,0,0,0|2,1,0]=4 150 B16R2.25778 Nc1cccc(c1SCC2=NCCN2)O 62a_100012183704_100000737910 [1,0,0,0,0,0|2,1,0]=4 151 B16R2.25778 Nc1ccnc(c1OCC2=NCCN2)Cl 34a_100009844647_100000737910 [1,0,0,0,0,0|2,0,0]=3 152 B16R2.25778 Nc1ccnc(c1OCC2=NCCN2)Cl 7a_100009844647_100000737910 [1,0,0,0,0,0|2,0,0]=3 153 B16R2.25778 Nc1ccnc(c1SCC2=NCCN2)Cl 62a_100000737910_100010208016 [1,0,0,0,0,0|2,1,0]=4 154 B16R2.25778 Nc1ccnc(c1SCC2=NCCN2)Cl 62a_100010208016_100000737910 [1,0,0,0,0,0|2,1,0]=4 155 B16R2.25778 Nc1nccc(c1SCC2=NCCN2)Cl 62a_100000737910_100010199028 [1,0,0,0,0,0|2,1,0]=4 156 B16R2.25778 Nc1nccc(c1SCC2=NCCN2)Cl 62a_100010199028_100000737910 [1,0,0,0,0,0|2,1,0]=4 157 B16R2.25778 Nc1ncnc(c1OCC2=NCCN2)Cl 34a_100000124137_100000737910 [1,0,0,0,0,0|3,0,0]=4 158 B16R2.25778 Nc1ncnc(c1OCC2=NCCN2)Cl 7a_100000124137_100000737910 [1,0,0,0,0,0|3,0,0]=4 159 B16R2.25778 Oc1cccc(c1NCC2=NCCN2)Br 34a_100011934926_100000737910 [1,0,0,0,0,0|2,1,0]=4 160 B16R2.25778 Oc1cccc(c1NCC2=NCCN2)Cl 34a_100012022510_100000737910 [1,0,0,0,0,0|2,0,0]=3 161 B16R2.25778 Oc1cccc(c1NCC2=NCCN2)F 34a_100020591140_100000737910 [1,0,0,0,0,0|2,1,0]=4 162 B16R2.25778 Oc1cccc(c1SCC2=NCCN2)Br 62a_100000737910_100010187912 [1,0,0,0,0,0|1,2,0]=4 163 B16R2.25778 Oc1cccc(c1SCC2=NCCN2)Br 62a_100010187912_100000737910 [1,0,0,0,0,0|1,2,0]=4 164 B16R2.25778 Oc1cccc(c1SCC2=NCCN2)Cl 62a_100000737910_100000050174 [1,0,0,0,0,0|1,1,0]=3 165 B16R2.25778 Oc1cccc(c1SCC2=NCCN2)F 62a_100000737910_100009820682 [1,0,0,0,0,0|1,2,0]=4 166 B16R2.25778 Oc1cccc(c1SCC2=NCCN2)F 62a_100009820682_100000737910 [1,0,0,0,0,0|1,2,0]=4 167 B16R2.25778 Oc1cccc(c1SCC2=NCCN2)O 62a_100000737910_100010205330 [1,0,0,0,0,0|2,1,0]=4 168 B16R1.106639 CCNC(=O)C(C)Nc1c(cccc1Br)Cl 34a_100102946385_100000230173 [0,0,1,0,0,0|2,1,0]=4 169 B16R1.106639 CCNC(=O)C(C)Nc1c(cccc1Cl)C 34a_100000756524_100000230173 [0,0,1,0,0,0|3,0,0]=4 170 B16R1.106639 CCNC(=O)C(C)Nc1c(cccc1Cl)Cl 34a_100000210028_100000230173 [0,0,1,0,0,0|2,0,0]=3 171 B16R1.106639 CCNC(=O)C(C)Nc1c(cccc1Cl)F 34a_100000760031_100000230173 [0,0,1,0,0,0|2,1,0]=4 172 B16R1.106639 CCNC(=O)C(C)Nc1c(cccc1Cl)O 34a_100012022510_100000230173 [0,0,1,0,0,0|3,0,0]=4 173 B16R1.106639 CCNC(=O)C(C)Oc1c(cccc1Br)Br 34a_100000736428_100000230173 [0,0,1,0,0,0|1,2,0]=4 174 B16R1.106639 CCNC(=O)C(C)Oc1c(cccc1Br)Br 7a_100000736428_100000230173 [0,0,1,0,0,0|1,2,0]=4 175 B16R1.106639 CCNC(=O)C(C)Oc1c(cccc1Br)C 34a_100009817157_100000230173 [0,0,1,0,0,0|2,1,0]=4 176 B16R1.106639 CCNC(=O)C(C)Oc1c(cccc1Br)C 7a_100009817157_100000230173 [0,0,1,0,0,0|2,1,0]=4 177 B16R1.106639 CCNC(=O)C(C)Oc1c(cccc1Br)Cl 34a_100010214474_100000230173 [0,0,1,0,0,0|1,1,0]=3 178 B16R1.106639 CCNC(=O)C(C)Oc1c(cccc1Br)Cl 7a_100010214474_100000230173 [0,0,1,0,0,0|1,1,0]=3 179 B16R1.106639 CCNC(=O)C(C)Oc1c(cccc1Br)F 34a_100009813666_100000230173 [0,0,1,0,0,0|1,2,0]=4 180 B16R1.106639 CCNC(=O)C(C)Oc1c(cccc1Br)F 7a_100009813666_100000230173 [0,0,1,0,0,0|1,2,0]=4 181 B16R1.106639 CCNC(=O)C(C)Oc1c(cccc1Br)N 34a_100011934915_100000230173 [0,0,1,0,0,0|2,1,0]=4 182 B16R1.106639 CCNC(=O)C(C)Oc1c(cccc1C)C 34a_100000210341_100000230173 [0,0,1,0,0,0|3,0,0]=4 183 B16R1.106639 CCNC(=O)C(C)Oc1c(cccc1C)C 7a_100000210341_100000230173 [0,0,1,0,0,0|3,0,0]=4 184 B16R1.106639 CCNC(=O)C(C)Oc1c(cccc1Cl)C 34a_100000033731_100000230173 [0,0,1,0,0,0|2,0,0]=3 185 B16R1.106639 CCNC(=O)C(C)Oc1c(cccc1Cl)C 7a_100000033731_100000230173 [0,0,1,0,0,0|2,0,0]=3 186 B16R1.106639 CCNC(=O)C(C)Oc1c(cccc1Cl)Cl 34a_100000211709_100000230173 [0,0,1,0,0,0|1,0,0]=2 187 B16R1.106639 CCNC(=O)C(C)Oc1c(cccc1Cl)Cl 7a_100000211709_100000230173 [0,0,1,0,0,0|1,0,0]=2 188 B16R1.106639 CCNC(=O)C(C)Oc1c(cccc1Cl)F 34a_100000694953_100000230173 [0,0,1,0,0,0|1,1,0]=3 189 B16R1.106639 CCNC(=O)C(C)Oc1c(cccc1Cl)F 7a_100000694953_100000230173 [0,0,1,0,0,0|1,1,0]=3 190 B16R1.106639 CCNC(=O)C(C)Oc1c(cccc1Cl)N 34a_100000754742_100000230173 [0,0,1,0,0,0|2,0,0]=3 191 B16R1.106639 CCNC(=O)C(C)Oc1c(cccc1F)C 34a_100011659162_100000230173 [0,0,1,0,0,0|2,1,0]=4 192 B16R1.106639 CCNC(=O)C(C)Oc1c(cccc1F)C 7a_100011659162_100000230173 [0,0,1,0,0,0|2,1,0]=4 193 B16R1.106639 CCNC(=O)C(C)Oc1c(cccc1F)F 34a_100000230165_100000230173 [0,0,1,0,0,0|1,2,0]=4 194 B16R1.106639 CCNC(=O)C(C)Oc1c(cccc1F)F 7a_100000230165_100000230173 [0,0,1,0,0,0|1,2,0]=4 195 B16R1.106639 CCNC(=O)C(C)Oc1c(cccc1F)N 34a_100011934987_100000230173 [0,0,1,0,0,0|2,1,0]=4 196 B16R1.106639 CCNC(=O)C(C)Oc1c(cccc1I)Br 34a_100010084509_100000230173 [0,0,1,0,0,0|1,2,0]=4 197 B16R1.106639 CCNC(=O)C(C)Oc1c(cccc1I)Br 7a_100010084509_100000230173 [0,0,1,0,0,0|1,2,0]=4 198 B16R1.106639 CCNC(=O)C(C)Oc1c(cccc1I)Cl 34a_100010202889_100000230173 [0,0,1,0,0,0|1,1,0]=3 199 B16R1.106639 CCNC(=O)C(C)Oc1c(cccc1I)Cl 7a_100010202889_100000230173 [0,0,1,0,0,0|1,1,0]=3 200 B16R1.106639 CCNC(=O)C(C)Oc1c(cccc1I)F 34a_100010186298_100000230173 [0,0,1,0,0,0|1,2,0]=4 201 B16R1.106639 CCNC(=O)C(C)Oc1c(cccc1I)F 7a_100010186298_100000230173 [0,0,1,0,0,0|1,2,0]=4 202 B16R1.106639 CCNC(=O)C(C)Oc1c(cccc1I)N 34a_100010084371_100000230173 [0,0,1,0,0,0|2,1,0]=4 203 B16R1.106639 CCNC(=O)C(C)Oc1c(cccc1N)C 34a_100000756359_100000230173 [0,0,1,0,0,0|3,0,0]=4 204 B16R1.106639 CCNC(=O)C(C)Oc1c(cccc1N)C 7a_100000756359_100000230173 [0,0,1,0,0,0|3,0,0]=4 205 B16R1.106639 CCNC(=O)C(C)Oc1c(cccc1N)N 34a_200016994477_100000230173 [0,0,1,0,0,0|3,0,0]=4 206 B16R1.106639 CCNC(=O)C(C)Oc1c(ccnc1Cl)C 34a_100000696282_100000230173 [0,0,1,0,0,0|3,0,0]=4 207 B16R1.106639 CCNC(=O)C(C)Oc1c(ccnc1Cl)C 7a_100000696282_100000230173 [0,0,1,0,0,0|3,0,0]=4 208 B16R1.106639 CCNC(=O)C(C)Oc1c(ccnc1Cl)Cl 34a_100000118450_100000230173 [0,0,1,0,0,0|2,0,0]=3 209 B16R1.106639 CCNC(=O)C(C)Oc1c(ccnc1Cl)Cl 7a_100000118450_100000230173 [0,0,1,0,0,0|2,0,0]=3 210 B16R1.106639 CCNC(=O)C(C)Oc1c(ccnc1Cl)F 34a_100009867227_100000230173 [0,0,1,0,0,0|2,1,0]=4 211 B16R1.106639 CCNC(=O)C(C)Oc1c(ccnc1Cl)F 7a_100009867227_100000230173 [0,0,1,0,0,0|2,1,0]=4 212 B16R1.106639 CCNC(=O)C(C)Oc1c(ccnc1Cl)I 34a_100010067911_100000230173 [0,0,1,0,0,0|2,1,0]=4 213 B16R1.106639 CCNC(=O)C(C)Oc1c(ccnc1Cl)I 7a_100010067911_100000230173 [0,0,1,0,0,0|2,1,0]=4 214 B16R1.106639 CCNC(=O)C(C)Oc1c(ccnc1Cl)N 34a_100009844647_100000230173 [0,0,1,0,0,0|3,0,0]=4 215 B16R1.106639 CCNC(=O)C(C)Oc1c(ccnc1Cl)N 7a_100009844647_100000230173 [0,0,1,0,0,0|3,0,0]=4 216 B16R1.106639 CCNC(=O)C(C)Oc1c(ncnc1Cl)Cl 34a_100009876168_100000230173 [0,0,1,0,0,0|3,0,0]=4 217 B16R1.106639 CCNC(=O)C(C)Oc1c(ncnc1Cl)Cl 7a_100009876168_100000230173 [0,0,1,0,0,0|3,0,0]=4 218 B16R1.106639 CCNC(=O)C(C)Sc1c(cccc1Br)Cl 62a_100000230173_100010214488 [0,0,1,0,0,0|1,2,0]=4 219 B16R1.106639 CCNC(=O)C(C)Sc1c(cccc1Br)Cl 62a_100010214488_100000230173 [0,0,1,0,0,0|1,2,0]=4 220 B16R1.106639 CCNC(=O)C(C)Sc1c(cccc1Cl)C 62a_100000043165_100000230173 [0,0,1,0,0,0|2,1,0]=4 221 B16R1.106639 CCNC(=O)C(C)Sc1c(cccc1Cl)C 62a_100000230173_100000043165 [0,0,1,0,0,0|2,1,0]=4 222 B16R1.106639 CCNC(=O)C(C)Sc1c(cccc1Cl)Cl 62a_100000034237_100000230173 [0,0,1,0,0,0|1,1,0]=3 223 B16R1.106639 CCNC(=O)C(C)Sc1c(cccc1Cl)Cl 62a_100000230173_100000034237 [0,0,1,0,0,0|1,1,0]=3 224 B16R1.106639 CCNC(=O)C(C)Sc1c(cccc1Cl)F 62a_100000050007_100000230173 [0,0,1,0,0,0|1,2,0]=4 225 B16R1.106639 CCNC(=O)C(C)Sc1c(cccc1Cl)F 62a_100000230173_100000050007 [0,0,1,0,0,0|1,2,0]=4 226 B16R1.106639 CCNC(=O)C(C)Sc1c(cccc1Cl)N 62a_100000049713_100000230173 [0,0,1,0,0,0|2,1,0]=4 227 B16R1.106639 CCNC(=O)C(C)Sc1c(cccc1Cl)N 62a_100000230173_100000049713 [0,0,1,0,0,0|2,1,0]=4 228 B16R1.106639 CCNC(=O)C(C)Sc1c(cccc1Cl)O 62a_100000230173_100000050174 [0,0,1,0,0,0|2,1,0]=4 229 B16R1.106639 CCNC(=O)C(C)Sc1c(ccnc1Cl)Cl 62a_100000050019_100000230173 [0,0,1,0,0,0|2,1,0]=4 230 B16R1.106639 CCNC(=O)C(C)Sc1c(ccnc1Cl)Cl 62a_100000230173_100000050019 [0,0,1,0,0,0|2,1,0]=4 231 B16R1.106639 CCNC(=O)C(C)Sc1c(cncc1Cl)Cl 62a_100000036193_100000230173 [0,0,1,0,0,0|2,1,0]=4 232 B16R1.106639 CCNC(=O)C(C)Sc1c(cncc1Cl)Cl 62a_100000230173_100000036193 [0,0,1,0,0,0|2,1,0]=4 233 B16R1.106639 CCNC(=O)N(C)Cc1c(cccc1Cl)Cl 2708a_100015525214_100000186903 [0,0,1,0,0,0|3,0,0]=4 234 B16R1.106639 CCNC(=O)N(C)Cc1c(cccc1Cl)Cl 273464a_100015525214_100000186903 [0,0,1,0,0,0|3,0,0]=4 235 B16R1.106639 CCOC(=O)C(C)Nc1c(cccc1Cl)Cl 34a_100000210028_100011216346 [0,0,1,0,0,0|3,0,0]=4 236 B16R1.106639 CCOC(=O)C(C)Oc1c(cccc1Br)Cl 34a_100010214474_100011216346 [0,0,1,0,0,0|2,1,0]=4 237 B16R1.106639 CCOC(=O)C(C)Oc1c(cccc1Br)Cl 7a_100010214474_100011216346 [0,0,1,0,0,0|2,1,0]=4 238 B16R1.106639 CCOC(=O)C(C)Oc1c(cccc1Cl)C 34a_100000033731_100011216346 [0,0,1,0,0,0|3,0,0]=4 239 B16R1.106639 CCOC(=O)C(C)Oc1c(cccc1Cl)C 7a_100000033731_100011216346 [0,0,1,0,0,0|3,0,0]=4 240 B16R1.106639 CCOC(=O)C(C)Oc1c(cccc1Cl)Cl 34a_100000211709_100011216346 [0,0,1,0,0,0|2,0,0]=3 241 B16R1.106639 CCOC(=O)C(C)Oc1c(cccc1Cl)Cl 7a_100000211709_100011216346 [0,0,1,0,0,0|2,0,0]=3 242 B16R1.106639 CCOC(=O)C(C)Oc1c(cccc1Cl)F 34a_100000694953_100011216346 [0,0,1,0,0,0|2,1,0]=4 243 B16R1.106639 CCOC(=O)C(C)Oc1c(cccc1Cl)F 7a_100000694953_100011216346 [0,0,1,0,0,0|2,1,0]=4 244 B16R1.106639 CCOC(=O)C(C)Oc1c(cccc1Cl)N 34a_100000754742_100011216346 [0,0,1,0,0,0|3,0,0]=4 245 B16R1.106639 CCOC(=O)C(C)Oc1c(cccc1I)Cl 34a_100010202889_100011216346 [0,0,1,0,0,0|2,1,0]=4 246 B16R1.106639 CCOC(=O)C(C)Oc1c(cccc1I)Cl 7a_100010202889_100011216346 [0,0,1,0,0,0|2,1,0]=4 247 B16R1.106639 CCOC(=O)C(C)Oc1c(ccnc1Cl)Cl 34a_100000118450_100011216346 [0,0,1,0,0,0|3,0,0]=4 248 B16R1.106639 CCOC(=O)C(C)Oc1c(ccnc1Cl)Cl 7a_100000118450_100011216346 [0,0,1,0,0,0|3,0,0]=4 249 B16R1.106639 CCOC(=O)C(C)Sc1c(cccc1Cl)Cl 62a_100000034237_100011216346 [0,0,1,0,0,0|2,1,0]=4 250 B16R1.106639 CCOC(=O)C(C)Sc1c(cccc1Cl)Cl 62a_100011216346_100000034237 [0,0,1,0,0,0|2,1,0]=4 251 B16R1.106639 CCOC(=O)C(F)Oc1c(cccc1Cl)Cl 34a_100000211709_100000760018 [0,0,1,0,0,0|3,0,0]=4 252 B16R1.106639 CCOC(=O)C(F)Oc1c(cccc1Cl)Cl 7a_100000211709_100000040065 [0,0,1,0,0,0|3,0,0]=4 253 B16R1.111883 COC(OC)C(C)Oc1c(cccc1Cl)Cl 34a_100000211709_100011222894 [0,0,1,0,0,0|2,0,1]=4 254 B18R3.106801 Clc1cccc(c1OC2CC3CCC2C3)Cl 34a_100000211709_100000727232 [0,0,0,1,0,0|2,0,1]=4 255 B18R2.6469 CC(Oc1c(cccc1Cl)Cl)c2cnccn2 7a_100000211709_200000703233 [0,0,0,0,0,1|0,0,3]=4 256 B18R2.65817 CC(=NNc1c(cccc1Cl)Cl)C2=NCCS2 4a_100000688888_100000065990 [0,0,0,0,0,1|2,0,1]=4 257 B18R2.65817 CC(COc1c(cccc1Cl)Cl)N2CCCC2 7a_100000211709_200015187269 [0,0,0,0,0,1|3,0,0]=4 258 B18R2.65817 CC(NCc1c(cccc1Cl)Cl)c2ncc[nH]2 269862a_100000174884_100000718901 [0,0,0,0,0,1|1,0,2]=4 259 B18R2.65817 CC(OCc1c(cccc1Cl)Cl)c2nccs2 7a_100000751044_100000187851 [0,0,0,0,0,1|1,0,2]=4 260 B18R2.65843 CN(CC1=NCCN1)Cc2c(cccc2Cl)Cl 269982a_100000186903_100000737910 [0,0,0,0,0,1|2,0,0]=3 261 B18R2.65843 CN(CC1=NCCN1)Cc2c(cccc2Cl)Cl 34a_100000186903_100000737910 [0,0,0,0,0,1|2,0,0]=3 262 B18R2.65843 CN(CC1=NCCN1)Cc2c(cccc2Cl)F 269982a_100000184537_100000737910 [0,0,0,0,0,1|2,1,0]=4 263 B18R2.65843 CN(CC1=NCCN1)Cc2c(cccc2Cl)F 34a_100000184537_100000737910 [0,0,0,0,0,1|2,1,0]=4 264 B15R1.1409 CC(CNCCF)Oc1ccccc1Cl 2230a_100000763343_100011217306 [1,0,1,0,0,0|1,0,1]=4 265 B15R1.1409 CC(CNCCF)Oc1ccccc1Cl 34a_100000763343_100011217306 [1,0,1,0,0,0|1,0,1]=4 266 B15R1.1409 CC(CNCCO)Oc1ccccc1Cl 2230a_100000763343_100000211926 [1,0,1,0,0,0|1,0,1]=4 267 B15R1.1409 CC(CNCCO)Oc1ccccc1Cl 34a_100000763343_100000211926 [1,0,1,0,0,0|1,0,1]=4 268 B15R1.1409 CCCNCC(C)Oc1ccccc1Cl 2230a_100000763343_100000210303 [1,0,1,0,0,0|1,0,1]=4 269 B15R1.1409 CCCNCC(C)Oc1ccccc1Cl 34a_100000763343_100000210303 [1,0,1,0,0,0|1,0,1]=4 270 B15R1.44685 FCCNCCOc1c(cccc1Cl)Cl 34a_100000724931_100000184560 [1,0,1,0,0,0|1,0,1]=4 271 B15R1.44685 NCCOCCOc1c(cccc1Cl)Cl 34a_100000210304_100000184560 [1,0,1,0,0,0|1,0,1]=4 272 B15R1.44685 OCCNCCOc1c(cccc1Cl)Cl 2230a_100016997473_100000184560 [1,0,1,0,0,0|1,0,1]=4 273 B15R1.44685 OCCNCCOc1c(cccc1Cl)Cl 34a_100016990907_100000184560 [1,0,1,0,0,0|1,0,1]=4 274 B15R1.45718 CC(Cc1c(cccc1Cl)Cl)NCCO 270004a_100000210304_100000692661 [1,0,1,0,0,0|2,0,0]=4 275 B15R1.45718 CCCCC(C)Oc1c(cccc1Cl)Cl 34a_100000211709_200011215066 [1,0,1,0,0,0|1,0,1]=4 276 B15R1.45718 CCCCC(C)Oc1c(cccc1Cl)Cl 7a_100000211709_200011215066 [1,0,1,0,0,0|1,0,1]=4 277 B15R1.45718 CCCNC(C)Cc1c(cccc1Cl)Cl 270004a_100020643023_100000692661 [1,0,1,0,0,0|2,0,0]=4 278 B15R1.3960 CCCC(=O)C(C)Oc1ccccc1Cl 1458a_100000191201_100000210303 [1,0,1,0,0,0|2,0,0]=4 279 B15R1.3960 CCNC(=O)C(C)Nc1ccccc1Cl 34a_100000185783_100000230173 [1,0,1,0,0,0|2,0,0]=4 280 B15R1.3960 CCNC(=O)C(C)Oc1ccccc1Br 11a_100015525214_100000246065 [1,0,1,0,0,0|1,1,0]=4 281 B15R1.3960 CCNC(=O)C(C)Oc1ccccc1Br 240690a_100015525214_100000246065 [1,0,1,0,0,0|1,1,0]=4 282 B15R1.3960 CCNC(=O)C(C)Oc1ccccc1Br 34a_100000181306_100000230173 [1,0,1,0,0,0|1,1,0]=4 283 B15R1.3960 CCNC(=O)C(C)Oc1ccccc1Br 527a_100015525214_100000246065 [1,0,1,0,0,0|1,1,0]=4 284 B15R1.3960 CCNC(=O)C(C)Oc1ccccc1Br 7a_100000181306_100000230173 [1,0,1,0,0,0|1,1,0]=4 285 B15R1.3960 CCNC(=O)C(C)Oc1ccccc1C 11a_100015525214_100000189243 [1,0,1,0,0,0|2,0,0]=4 286 B15R1.3960 CCNC(=O)C(C)Oc1ccccc1C 240690a_100015525214_100000189243 [1,0,1,0,0,0|2,0,0]=4 287 B15R1.3960 CCNC(=O)C(C)Oc1ccccc1C 34a_100000210338_100000230173 [1,0,1,0,0,0|2,0,0]=4 288 B15R1.3960 CCNC(=O)C(C)Oc1ccccc1C 527a_100015525214_100000189243 [1,0,1,0,0,0|2,0,0]=4 289 B15R1.3960 CCNC(=O)C(C)Oc1ccccc1C 7a_100000210338_100000230173 [1,0,1,0,0,0|2,0,0]=4 290 B15R1.3960 CCNC(=O)C(C)Oc1ccccc1Cl 11a_100015525214_100000191201 [1,0,1,0,0,0|1,0,0]=3 291 B15R1.3960 CCNC(=O)C(C)Oc1ccccc1Cl 240690a_100015525214_100000191201 [1,0,1,0,0,0|1,0,0]=3 292 B15R1.3960 CCNC(=O)C(C)Oc1ccccc1Cl 34a_100000210172_100000230173 [1,0,1,0,0,0|1,0,0]=3 293 B15R1.3960 CCNC(=O)C(C)Oc1ccccc1Cl 527a_100015525214_100000191201 [1,0,1,0,0,0|1,0,0]=3 294 B15R1.3960 CCNC(=O)C(C)Oc1ccccc1Cl 7a_100000210172_100000230173 [1,0,1,0,0,0|1,0,0]=3 295 B15R1.3960 CCNC(=O)C(C)Oc1ccccc1F 11a_100015525214_100000191191 [1,0,1,0,0,0|1,1,0]=4 296 B15R1.3960 CCNC(=O)C(C)Oc1ccccc1F 240690a_100015525214_100000191191 [1,0,1,0,0,0|1,1,0]=4 297 B15R1.3960 CCNC(=O)C(C)Oc1ccccc1F 34a_100000210171_100000230173 [1,0,1,0,0,0|1,1,0]=4 298 B15R1.3960 CCNC(=O)C(C)Oc1ccccc1F 527a_100015525214_100000191191 [1,0,1,0,0,0|1,1,0]=4 299 B15R1.3960 CCNC(=O)C(C)Oc1ccccc1F 7a_100000210171_100000230173 [1,0,1,0,0,0|1,1,0]=4 300 B15R1.3960 CCNC(=O)C(C)Oc1ccccc1I 34a_100000739446_100000230173 [1,0,1,0,0,0|1,1,0]=4 301 B15R1.3960 CCNC(=O)C(C)Oc1ccccc1I 7a_100000739446_100000230173 [1,0,1,0,0,0|1,1,0]=4 302 B15R1.3960 CCNC(=O)C(C)Oc1ccccc1N 34a_100000185747_100000230173 [1,0,1,0,0,0|2,0,0]=4 303 B15R1.3960 CCNC(=O)C(C)Oc1ccccc1N 7a_100000185747_100000230173 [1,0,1,0,0,0|2,0,0]=4 304 B15R1.3960 CCNC(=O)C(C)Oc1cccnc1Cl 34a_100000757616_100000230173 [1,0,1,0,0,0|2,0,0]=4 305 B15R1.3960 CCNC(=O)C(C)Oc1cccnc1Cl 7a_100000757616_100000230173 [1,0,1,0,0,0|2,0,0]=4 306 B15R1.3960 CCNC(=O)C(C)Oc1ccncc1Cl 34a_100011997054_100000230173 [1,0,1,0,0,0|2,0,0]=4 307 B15R1.3960 CCNC(=O)C(C)Oc1cnccc1Cl 34a_100011996695_100000230173 [1,0,1,0,0,0|2,0,0]=4 308 B15R1.3960 CCNC(=O)C(C)Oc1ncccc1Cl 34a_100011290957_100000230173 [1,0,1,0,0,0|2,0,0]=4 309 B15R1.3960 CCNC(=O)C(C)Sc1ccccc1Cl 11a_100015525214_100000181065 [1,0,1,0,0,0|1,1,0]=4 310 B15R1.3960 CCNC(=O)C(C)Sc1ccccc1Cl 240690a_100015525214_100000181065 [1,0,1,0,0,0|1,1,0]=4 311 B15R1.3960 CCNC(=O)C(C)Sc1ccccc1Cl 527a_100015525214_100000181065 [1,0,1,0,0,0|1,1,0]=4 312 B15R1.3960 CCNC(=O)C(C)Sc1ccccc1Cl 62a_100000230173_100000764095 [1,0,1,0,0,0|1,1,0]=4 313 B15R1.3960 CCNC(=O)C(C)Sc1ccccc1Cl 62a_100000764095_100000230173 [1,0,1,0,0,0|1,1,0]=4 314 B15R1.3960 CCOC(=O)C(C)Oc1ccccc1Cl 34a_100000210172_100011216346 [1,0,1,0,0,0|2,0,0]=4 315 B15R1.3960 CCOC(=O)C(C)Oc1ccccc1Cl 7a_100000210172_100011216346 [1,0,1,0,0,0|2,0,0]=4 316 B15R1.3960 CNNC(=O)C(C)Oc1ccccc1Cl 22a_100016993582_100000191201 [1,0,1,0,0,0|2,0,0]=4 317 B15R1.13264 CCC(=O)C(C)Oc1c(cccc1Br)Cl 7a_100010214474_100000742827 [1,0,1,0,0,0|1,1,0]=4 318 B15R1.13264 CCC(=O)C(C)Oc1c(cccc1Cl)C 7a_100000033731_100000742827 [1,0,1,0,0,0|2,0,0]=4 319 B15R1.13264 CCC(=O)C(C)Oc1c(cccc1Cl)Cl 7a_100000211709_100000742827 [1,0,1,0,0,0|1,0,0]=3 320 B15R1.13264 CCC(=O)C(C)Oc1c(cccc1Cl)F 7a_100000694953_100000742827 [1,0,1,0,0,0|1,1,0]=4 321 B15R1.13264 CCC(=O)C(C)Oc1c(cccc1I)Cl 7a_100010202889_100000742827 [1,0,1,0,0,0|1,1,0]=4 322 B15R1.13264 CCC(=O)C(C)Oc1c(ccnc1Cl)Cl 7a_100000118450_100000742827 [1,0,1,0,0,0|2,0,0]=4 323 B15R1.13264 CCC(=O)C(C)Sc1c(cccc1Cl)Cl 62a_100000034237_100000742827 [1,0,1,0,0,0|1,1,0]=4 324 B15R1.13264 CCC(=O)C(C)Sc1c(cccc1Cl)Cl 62a_100000742827_100000034237 [1,0,1,0,0,0|1,1,0]=4 325 B15R1.13264 CNC(=O)C(C)Nc1c(cccc1Cl)Cl 34a_100000210028_100000731044 [1,0,1,0,0,0|2,0,0]=4 326 B15R1.13264 CNC(=O)C(C)Oc1c(cccc1Br)Cl 34a_100010214474_100000731044 [1,0,1,0,0,0|1,1,0]=4 327 B15R1.13264 CNC(=O)C(C)Oc1c(cccc1Br)Cl 7a_100010214474_100000209862 [1,0,1,0,0,0|1,1,0]=4 328 B15R1.13264 CNC(=O)C(C)Oc1c(cccc1Cl)C 34a_100000033731_100000731044 [1,0,1,0,0,0|2,0,0]=4 329 B15R1.13264 CNC(=O)C(C)Oc1c(cccc1Cl)C 7a_100000033731_100000209862 [1,0,1,0,0,0|2,0,0]=4 330 B15R1.13264 CNC(=O)C(C)Oc1c(cccc1Cl)Cl 34a_100000211709_100000731044 [1,0,1,0,0,0|1,0,0]=3 331 B15R1.13264 CNC(=O)C(C)Oc1c(cccc1Cl)Cl 7a_100000211709_100000209862 [1,0,1,0,0,0|1,0,0]=3 332 B15R1.13264 CNC(=O)C(C)Oc1c(cccc1Cl)F 34a_100000694953_100000731044 [1,0,1,0,0,0|1,1,0]=4 333 B15R1.13264 CNC(=O)C(C)Oc1c(cccc1Cl)F 7a_100000694953_100000209862 [1,0,1,0,0,0|1,1,0]=4 334 B15R1.13264 CNC(=O)C(C)Oc1c(cccc1Cl)N 34a_100000754742_100000731044 [1,0,1,0,0,0|2,0,0]=4 335 B15R1.13264 CNC(=O)C(C)Oc1c(cccc1I)Cl 34a_100010202889_100000731044 [1,0,1,0,0,0|1,1,0]=4 336 B15R1.13264 CNC(=O)C(C)Oc1c(cccc1I)Cl 7a_100010202889_100000209862 [1,0,1,0,0,0|1,1,0]=4 337 B15R1.13264 CNC(=O)C(C)Oc1c(ccnc1Cl)Cl 34a_100000118450_100000731044 [1,0,1,0,0,0|2,0,0]=4 338 B15R1.13264 CNC(=O)C(C)Oc1c(ccnc1Cl)Cl 7a_100000118450_100000209862 [1,0,1,0,0,0|2,0,0]=4 339 B15R1.13264 CNC(=O)C(C)Sc1c(cccc1Cl)Cl 62a_100000034237_100000731044 [1,0,1,0,0,0|1,1,0]=4 340 B15R1.13264 CNC(=O)C(C)Sc1c(cccc1Cl)Cl 62a_100000209862_100000034237 [1,0,1,0,0,0|1,1,0]=4 341 B15R1.13264 CNC(=O)C(F)Oc1c(cccc1Cl)Cl 34a_100000211709_100009813575 [1,0,1,0,0,0|2,0,0]=4 342 B15R1.13264 CNC(=O)C(F)Oc1c(cccc1Cl)Cl 7a_100000211709_100009813575 [1,0,1,0,0,0|2,0,0]=4 343 B15R1.13264 COC(=O)C(C)Oc1c(cccc1Cl)Cl 34a_100000211709_100000211248 [1,0,1,0,0,0|2,0,0]=4 344 B15R1.13264 COC(=O)C(C)Oc1c(cccc1Cl)Cl 7a_100000211709_100000211248 [1,0,1,0,0,0|2,0,0]=4 345 B15R1.36731 CCCC(=O)COc1c(cccc1Cl)Cl 1458a_100000184137_100000210303 [1,0,1,0,0,0|2,0,0]=4 346 B15R1.36731 CCCC(=O)COc1c(cccc1Cl)Cl 7a_100000211709_100000747444 [1,0,1,0,0,0|2,0,0]=4 347 B15R1.36731 CCNC(=O)CCc1c(cccc1Cl)Cl 11a_100015525214_100011225048 [1,0,1,0,0,0|2,0,0]=4 348 B15R1.36731 CCNC(=O)CCc1c(cccc1Cl)Cl 240690a_100015525214_100011225048 [1,0,1,0,0,0|2,0,0]=4 349 B15R1.36731 CCNC(=O)CCc1c(cccc1Cl)Cl 527a_100015525214_100011225048 [1,0,1,0,0,0|2,0,0]=4 350 B15R1.36731 CCNC(=O)CNc1c(cccc1Cl)Cl 34a_100000210028_100000183381 [1,0,1,0,0,0|2,0,0]=4 351 B15R1.36731 CCNC(=O)COc1c(cccc1Br)Cl 34a_100010214474_100000183381 [1,0,1,0,0,0|1,1,0]=4 352 B15R1.36731 CCNC(=O)COc1c(cccc1Br)Cl 7a_100010214474_100000183381 [1,0,1,0,0,0|1,1,0]=4 353 B15R1.36731 CCNC(=O)COc1c(cccc1Cl)C 34a_100000033731_100000183381 [1,0,1,0,0,0|2,0,0]=4 354 B15R1.36731 CCNC(=O)COc1c(cccc1Cl)C 7a_100000033731_100000183381 [1,0,1,0,0,0|2,0,0]=4 355 B15R1.36731 CCNC(=O)COc1c(cccc1Cl)Cl 11a_100015525214_100000184137 [1,0,1,0,0,0|1,0,0]=3 356 B15R1.36731 CCNC(=O)COc1c(cccc1Cl)Cl 240690a_100015525214_100000184137 [1,0,1,0,0,0|1,0,0]=3 357 B15R1.36731 CCNC(=O)COc1c(cccc1Cl)Cl 34a_100000211709_100000183381 [1,0,1,0,0,0|1,0,0]=3 358 B15R1.36731 CCNC(=O)COc1c(cccc1Cl)Cl 527a_100015525214_100000184137 [1,0,1,0,0,0|1,0,0]=3 359 B15R1.36731 CCNC(=O)COc1c(cccc1Cl)Cl 7a_100000211709_100000183381 [1,0,1,0,0,0|1,0,0]=3 360 B15R1.36731 CCNC(=O)COc1c(cccc1Cl)F 34a_100000694953_100000183381 [1,0,1,0,0,0|1,1,0]=4 361 B15R1.36731 CCNC(=O)COc1c(cccc1Cl)F 7a_100000694953_100000183381 [1,0,1,0,0,0|1,1,0]=4 362 B15R1.36731 CCNC(=O)COc1c(cccc1Cl)N 34a_100000754742_100000183381 [1,0,1,0,0,0|2,0,0]=4 363 B15R1.36731 CCNC(=O)COc1c(cccc1I)Cl 34a_100010202889_100000183381 [1,0,1,0,0,0|1,1,0]=4 364 B15R1.36731 CCNC(=O)COc1c(cccc1I)Cl 7a_100010202889_100000183381 [1,0,1,0,0,0|1,1,0]=4 365 B15R1.36731 CCNC(=O)COc1c(ccnc1Cl)Cl 34a_100000118450_100000183381 [1,0,1,0,0,0|2,0,0]=4 366 B15R1.36731 CCNC(=O)COc1c(ccnc1Cl)Cl 7a_100000118450_100000183381 [1,0,1,0,0,0|2,0,0]=4 367 B15R1.36731 CCNC(=O)CSc1c(cccc1Cl)Cl 11a_100015525214_100000184567 [1,0,1,0,0,0|1,1,0]=4 368 B15R1.36731 CCNC(=O)CSc1c(cccc1Cl)Cl 240690a_100015525214_100000184567 [1,0,1,0,0,0|1,1,0]=4 369 B15R1.36731 CCNC(=O)CSc1c(cccc1Cl)Cl 527a_100015525214_100000184567 [1,0,1,0,0,0|1,1,0]=4 370 B15R1.36731 CCNC(=O)CSc1c(cccc1Cl)Cl 62a_100000034237_100000183381 [1,0,1,0,0,0|1,1,0]=4 371 B15R1.36731 CCNC(=O)CSc1c(cccc1Cl)Cl 62a_100000183381_100000034237 [1,0,1,0,0,0|1,1,0]=4 372 B15R1.36731 CCOC(=O)COc1c(cccc1Cl)Cl 34a_100000211709_100000188475 [1,0,1,0,0,0|2,0,0]=4 373 B15R1.36731 CCOC(=O)COc1c(cccc1Cl)Cl 7a_100000211709_100000188475 [1,0,1,0,0,0|2,0,0]=4 374 B15R1.36731 CNNC(=O)COc1c(cccc1Cl)Cl 22a_100016993582_100000184137 [1,0,1,0,0,0|2,0,0]=4 375 B15R1.36731 O=C(COc1c(cccc1Cl)Cl)NCO 34a_100000211709_100000185155 [1,0,1,0,0,0|2,0,0]=4 376 B15R1.36731 O=C(COc1c(cccc1Cl)Cl)NCO 7a_100000211709_100000185155 [1,0,1,0,0,0|2,0,0]=4 377 B15R2.562 Brc1ccccc1NCC2=NCCN2 34a_100000210017_100000737910 [2,0,0,0,0,0|1,1,0]=4 378 B15R2.562 Brc1ccccc1OCC2=NCCN2 34a_100000181306_100000737910 [2,0,0,0,0,0|0,1,0]=3 379 B15R2.562 Brc1ccccc1OCC2=NCCN2 7a_100000181306_100000737910 [2,0,0,0,0,0|0,1,0]=3 380 B15R2.562 Brc1ccccc1SCC2=NCCN2 62a_100000695589_100000737910 [2,0,0,0,0,0|0,2,0]=4 381 B15R2.562 Brc1ccccc1SCC2=NCCN2 62a_100000737910_100000695589 [2,0,0,0,0,0|0,2,0]=4 382 B15R2.562 Brc1cnccc1OCC2=NCCN2 34a_100011996408_100000737910 [2,0,0,0,0,0|1,1,0]=4 383 B15R2.562 Brc1ncccc1OCC2=NCCN2 34a_100000744436_100000737910 [2,0,0,0,0,0|1,1,0]=4 384 B15R2.562 Brc1ncccc1OCC2=NCCN2 7a_100000744436_100000737910 [2,0,0,0,0,0|1,1,0]=4 385 B15R2.562 Cc1ccccc1NCC2=NCCN2 34a_100015192222_100000737910 [2,0,0,0,0,0|2,0,0]=4 386 B15R2.562 Cc1ccccc1OCC2=NCCN2 34a_100000210338_100000737910 [2,0,0,0,0,0|1,0,0]=3 387 B15R2.562 Cc1ccccc1OCC2=NCCN2 7a_100000210338_100000737910 [2,0,0,0,0,0|1,0,0]=3 388 B15R2.562 Cc1ccccc1SCC2=NCCN2 62a_100000210755_100000737910 [2,0,0,0,0,0|1,1,0]=4 389 B15R2.562 Cc1ccccc1SCC2=NCCN2 62a_100000737910_100000210755 [2,0,0,0,0,0|1,1,0]=4 390 B15R2.562 Cc1ccncc1OCC2=NCCN2 34a_100011997053_100000737910 [2,0,0,0,0,0|2,0,0]=4 391 B15R2.562 Cc1ccncc1OCC2=NCCN2 7a_100011997053_100000737910 [2,0,0,0,0,0|2,0,0]=4 392 B15R2.562 Cc1cnccc1OCC2=NCCN2 34a_100000694293_100000737910 [2,0,0,0,0,0|2,0,0]=4 393 B15R2.562 Cc1ncccc1OCC2=NCCN2 34a_100000745507_100000737910 [2,0,0,0,0,0|2,0,0]=4 394 B15R2.562 Cc1ncccc1OCC2=NCCN2 7a_100000745507_100000737910 [2,0,0,0,0,0|2,0,0]=4 395 B15R2.562 Clc1ccccc1NCC2=NCCN2 34a_100000185783_100000737910 [2,0,0,0,0,0|1,0,0]=3 396 B15R2.562 Clc1ccccc1OCC2=NCCN2 34a_100000210172_100000737910 [2,0,0,0,0,0|0,0,0]=2 397 B15R2.562 Clc1ccccc1OCC2=NCCN2 7a_100000210172_100000737910 [2,0,0,0,0,0|0,0,0]=2 398 B15R2.562 Clc1ccccc1OCc2ncc[nH]2 34a_100000210172_100016991755 [2,0,0,0,0,0|0,0,2]=4 399 B15R2.562 Clc1ccccc1OCc2ncc[nH]2 7a_100000210172_100000753453 [2,0,0,0,0,0|0,0,2]=4 400 B15R2.562 Clc1ccccc1OCc2nnn[nH]2 34a_100000210172_100000765167 [2,0,0,0,0,0|2,0,0]=4 401 B15R2.562 Clc1ccccc1OCc2nnn[nH]2 7a_100000210172_100000765167 [2,0,0,0,0,0|2,0,0]=4 402 B15R2.562 Clc1ccccc1SCC2=NCCN2 62a_100000737910_100000764095 [2,0,0,0,0,0|0,1,0]=3 403 B15R2.562 Clc1ccccc1SCC2=NCCN2 62a_100000764095_100000737910 [2,0,0,0,0,0|0,1,0]=3 404 B15R2.562 Clc1cccnc1OCC2=NCCN2 34a_100011290957_100000737910 [2,0,0,0,0,0|1,0,0]=3 405 B15R2.562 Clc1cccnc1SCC2=NCCN2 62a_100000737910_100011356963 [2,0,0,0,0,0|1,1,0]=4 406 B15R2.562 Clc1cccnc1SCC2=NCCN2 62a_100011356963_100000737910 [2,0,0,0,0,0|1,1,0]=4 407 B15R2.562 Clc1ccncc1OCC2=NCCN2 34a_100011996695_100000737910 [2,0,0,0,0,0|1,0,0]=3 408 B15R2.562 Clc1ccncc1SCC2=NCCN2 62a_100000737910_100009995489 [2,0,0,0,0,0|1,1,0]=4 409 B15R2.562 Clc1ccncc1SCC2=NCCN2 62a_100009995489_100000737910 [2,0,0,0,0,0|1,1,0]=4 410 B15R2.562 Clc1cnccc1OCC2=NCCN2 34a_100011997054_100000737910 [2,0,0,0,0,0|1,0,0]=3 411 B15R2.562 Clc1cnccc1SCC2=NCCN2 62a_100000708259_100000737910 [2,0,0,0,0,0|1,1,0]=4 412 B15R2.562 Clc1cnccc1SCC2=NCCN2 62a_100000737910_100000708259 [2,0,0,0,0,0|1,1,0]=4 413 B15R2.562 Clc1ncccc1OCC2=NCCN2 34a_100000757616_100000737910 [2,0,0,0,0,0|1,0,0]=3 414 B15R2.562 Clc1ncccc1OCC2=NCCN2 7a_100000757616_100000737910 [2,0,0,0,0,0|1,0,0]=3 415 B15R2.562 Clc1ncccc1SCC2=NCCN2 62a_100000036424_100000737910 [2,0,0,0,0,0|1,1,0]=4 416 B15R2.562 Clc1ncccc1SCC2=NCCN2 62a_100000737910_100000036424 [2,0,0,0,0,0|1,1,0]=4 417 B15R2.562 Fc1ccccc1NCC2=NCCN2 34a_100000210422_100000737910 [2,0,0,0,0,0|1,1,0]=4 418 B15R2.562 Fc1ccccc1OCC2=NCCN2 34a_100000210171_100000737910 [2,0,0,0,0,0|0,1,0]=3 419 B15R2.562 Fc1ccccc1OCC2=NCCN2 7a_100000210171_100000737910 [2,0,0,0,0,0|0,1,0]=3 420 B15R2.562 Fc1ccccc1SCC2=NCCN2 62a_100000737910_100011215700 [2,0,0,0,0,0|0,2,0]=4 421 B15R2.562 Fc1ccccc1SCC2=NCCN2 62a_100011215700_100000737910 [2,0,0,0,0,0|0,2,0]=4 422 B15R2.562 Fc1cccnc1OCC2=NCCN2 34a_100011219419_100000737910 [2,0,0,0,0,0|1,1,0]=4 423 B15R2.562 Fc1cnccc1OCC2=NCCN2 34a_200000081243_100000737910 [2,0,0,0,0,0|1,1,0]=4 424 B15R2.562 Fc1ncccc1OCC2=NCCN2 34a_100000061740_100000737910 [2,0,0,0,0,0|1,1,0]=4 425 B15R2.562 Fc1ncccc1OCC2=NCCN2 7a_100000061740_100000737910 [2,0,0,0,0,0|1,1,0]=4 426 B15R2.562 Ic1ccccc1NCC2=NCCN2 34a_100000210053_100000737910 [2,0,0,0,0,0|1,1,0]=4 427 B15R2.562 Ic1ccccc1OCC2=NCCN2 34a_100000739446_100000737910 [2,0,0,0,0,0|0,1,0]=3 428 B15R2.562 Ic1ccccc1OCC2=NCCN2 7a_100000739446_100000737910 [2,0,0,0,0,0|0,1,0]=3 429 B15R2.562 Ic1ccncc1OCC2=NCCN2 34a_100000050107_100000737910 [2,0,0,0,0,0|1,1,0]=4 430 B15R2.562 Ic1ncccc1OCC2=NCCN2 34a_100000034122_100000737910 [2,0,0,0,0,0|1,1,0]=4 431 B15R2.562 Ic1ncccc1OCC2=NCCN2 7a_100000034122_100000737910 [2,0,0,0,0,0|1,1,0]=4 432 B15R2.562 Nc1ccccc1OCC2=NCCN2 34a_100000185747_100000737910 [2,0,0,0,0,0|1,0,0]=3 433 B15R2.562 Nc1ccccc1OCC2=NCCN2 7a_100000185747_100000737910 [2,0,0,0,0,0|1,0,0]=3 434 B15R2.562 Nc1ccccc1SCC2=NCCN2 62a_100000210017_100000737910 [2,0,0,0,0,0|1,1,0]=4 435 B15R2.562 Nc1ccccc1SCC2=NCCN2 62a_100000737910_100000210017 [2,0,0,0,0,0|1,1,0]=4 436 B15R2.562 Nc1cccnc1OCC2=NCCN2 34a_100000746358_100000737910 [2,0,0,0,0,0|2,0,0]=4 437 B15R2.562 Nc1ccncc1OCC2=NCCN2 34a_100000753702_100000737910 [2,0,0,0,0,0|2,0,0]=4 438 B15R2.562 Nc1ncccc1OCC2=NCCN2 34a_100000211975_100000737910 [2,0,0,0,0,0|2,0,0]=4 439 B15R2.562 Nc1ncccc1OCC2=NCCN2 7a_100000211975_100000737910 [2,0,0,0,0,0|2,0,0]=4 440 B15R2.562 O=c1ccocc1OCC2=NCCN2 34a_100000060831_100000737910 [2,0,0,0,0,0|2,0,0]=4 441 B15R2.562 O=c1occcc1OCC2=NCCN2 34a_100000077404_100000737910 [2,0,0,0,0,0|2,0,0]=4 442 B15R2.562 O=c1occcc1OCC2=NCCN2 7a_100000077404_100000737910 [2,0,0,0,0,0|2,0,0]=4 443 B15R2.562 Oc1ccccc1NCC2=NCCN2 34a_100000185747_100000737910 [2,0,0,0,0,0|2,0,0]=4 444 B15R2.562 Oc1ccccc1SCC2=NCCN2 62a_100000737910_100000739446 [2,0,0,0,0,0|1,1,0]=4 445 B15R2.562 Oc1ccccc1SCC2=NCCN2 62a_100000739446_100000737910 [2,0,0,0,0,0|1,1,0]=4 446 B15R2.562 [O-][n+]1ccccc1OCC2=NCCN2 7a_100000211761_100000737910 [2,0,0,0,0,0|2,0,0]=4 447 B17R1.268212 C#CCNC(=O)C(C)Oc1c(cccc1Cl)Cl 34a_100000211709_100000735948 [0,1,1,0,0,0|1,0,1]=4 448 B17R1.268212 C#CCNC(=O)C(C)Oc1c(cccc1Cl)Cl 7a_100000211709_100000735948 [0,1,1,0,0,0|1,0,1]=4 449 B17R1.268212 C=CCNC(=O)C(C)Oc1c(cccc1Cl)Cl 7a_100000211709_100000230288 [0,1,1,0,0,0|1,0,1]=4 450 B17R1.268212 CCCNC(=O)C(C)Nc1c(cccc1Cl)Cl 34a_100000210028_100000230305 [0,1,1,0,0,0|2,0,0]=4 451 B17R1.268212 CCCNC(=O)C(C)Oc1c(cccc1Br)Cl 34a_100010214474_100000230305 [0,1,1,0,0,0|1,1,0]=4 452 B17R1.268212 CCCNC(=O)C(C)Oc1c(cccc1Br)Cl 7a_100010214474_100000230305 [0,1,1,0,0,0|1,1,0]=4 453 B17R1.268212 CCCNC(=O)C(C)Oc1c(cccc1Cl)C 34a_100000033731_100000230305 [0,1,1,0,0,0|2,0,0]=4 454 B17R1.268212 CCCNC(=O)C(C)Oc1c(cccc1Cl)C 7a_100000033731_100000230305 [0,1,1,0,0,0|2,0,0]=4 455 B17R1.268212 CCCNC(=O)C(C)Oc1c(cccc1Cl)Cl 34a_100000211709_100000230305 [0,1,1,0,0,0|1,0,0]=3 456 B17R1.268212 CCCNC(=O)C(C)Oc1c(cccc1Cl)Cl 7a_100000211709_100000230305 [0,1,1,0,0,0|1,0,0]=3 457 B17R1.268212 CCCNC(=O)C(C)Oc1c(cccc1Cl)F 34a_100000694953_100000230305 [0,1,1,0,0,0|1,1,0]=4 458 B17R1.268212 CCCNC(=O)C(C)Oc1c(cccc1Cl)F 7a_100000694953_100000230305 [0,1,1,0,0,0|1,1,0]=4 459 B17R1.268212 CCCNC(=O)C(C)Oc1c(cccc1Cl)N 34a_100000754742_100000230305 [0,1,1,0,0,0|2,0,0]=4 460 B17R1.268212 CCCNC(=O)C(C)Oc1c(cccc1I)Cl 34a_100010202889_100000230305 [0,1,1,0,0,0|1,1,0]=4 461 B17R1.268212 CCCNC(=O)C(C)Oc1c(cccc1I)Cl 7a_100010202889_100000230305 [0,1,1,0,0,0|1,1,0]=4 462 B17R1.268212 CCCNC(=O)C(C)Oc1c(ccnc1Cl)Cl 34a_100000118450_100000230305 [0,1,1,0,0,0|2,0,0]=4 463 B17R1.268212 CCCNC(=O)C(C)Oc1c(ccnc1Cl)Cl 7a_100000118450_100000230305 [0,1,1,0,0,0|2,0,0]=4 464 B17R1.268212 CCCNC(=O)C(C)Sc1c(cccc1Cl)Cl 62a_100000034237_100000230305 [0,1,1,0,0,0|1,1,0]=4 465 B17R1.268212 CCCNC(=O)C(C)Sc1c(cccc1Cl)Cl 62a_100000230305_100000034237 [0,1,1,0,0,0|1,1,0]=4 466 B17R1.268212 CCCOC(=O)C(C)Oc1c(cccc1Cl)Cl 34a_100000211709_100000760410 [0,1,1,0,0,0|2,0,0]=4 467 B17R1.268212 CCCOC(=O)C(C)Oc1c(cccc1Cl)Cl 7a_100000211709_100000760410 [0,1,1,0,0,0|2,0,0]=4 468 B17R1.43176 CCNC(=O)C(C)Oc1c(cccc1C#N)Cl 34a_100009866432_100000230173 [0,1,1,0,0,0|2,0,0]=4 469 B17R1.43176 CCNC(=O)C(C)Oc1c(cccc1C#N)Cl 7a_100009866432_100000230173 [0,1,1,0,0,0|2,0,0]=4 470 B17R1.43176 CCNC(=O)C(C)Oc1c(cccc1OC)Cl 34a_100009851661_100000230173 [0,1,1,0,0,0|2,0,0]=4 471 B17R1.43176 CCNC(=O)C(C)Oc1c(cccc1OC)Cl 7a_100009851661_100000230173 [0,1,1,0,0,0|2,0,0]=4 472 B17R1.43181 CCNC(=O)C(C)Nc1c(ccc(c1Cl)C)Cl 34a_100000210993_100000230173 [0,1,1,0,0,0|2,0,0]=4 473 B17R1.43181 CCNC(=O)C(C)Nc1c(ccc(c1Cl)Cl)Cl 34a_103437851083_100000230173 [0,1,1,0,0,0|2,0,0]=4 474 B17R1.43181 CCNC(=O)C(C)Nc1c(ccc(c1Cl)O)Cl 34a_100016988457_100000230173 [0,1,1,0,0,0|2,0,0]=4 475 B17R1.43181 CCNC(=O)C(C)Nc1c(ccc(c1Cl)O)Cl 7a_100016988457_100000230173 [0,1,1,0,0,0|2,0,0]=4 476 B17R1.43181 CCNC(=O)C(C)Oc1c(ccc(c1Cl)Br)Cl 34a_100010089855_100000230173 [0,1,1,0,0,0|1,0,0]=3 477 B17R1.43181 CCNC(=O)C(C)Oc1c(ccc(c1Cl)Br)Cl 7a_100010089855_100000230173 [0,1,1,0,0,0|1,0,0]=3 478 B17R1.43181 CCNC(=O)C(C)Oc1c(ccc(c1Cl)C)Cl 34a_200000087117_100000230173 [0,1,1,0,0,0|1,0,0]=3 479 B17R1.43181 CCNC(=O)C(C)Oc1c(ccc(c1Cl)C)Cl 7a_200000087117_100000230173 [0,1,1,0,0,0|1,0,0]=3 480 B17R1.43181 CCNC(=O)C(C)Oc1c(ccc(c1Cl)C)F 34a_100000035349_100000230173 [0,1,1,0,0,0|1,1,0]=4 481 B17R1.43181 CCNC(=O)C(C)Oc1c(ccc(c1Cl)C)F 7a_100000035349_100000230173 [0,1,1,0,0,0|1,1,0]=4 482 B17R1.43181 CCNC(=O)C(C)Oc1c(ccc(c1Cl)Cl)Cl 34a_100000042553_100000230173 [0,1,1,0,0,0|1,0,0]=3 483 B17R1.43181 CCNC(=O)C(C)Oc1c(ccc(c1Cl)Cl)Cl 7a_100000042553_100000230173 [0,1,1,0,0,0|1,0,0]=3 484 B17R1.43181 CCNC(=O)C(C)Oc1c(ccc(c1Cl)Cl)F 34a_100000062035_100000230173 [0,1,1,0,0,0|1,1,0]=4 485 B17R1.43181 CCNC(=O)C(C)Oc1c(ccc(c1Cl)Cl)F 7a_100000062035_100000230173 [0,1,1,0,0,0|1,1,0]=4 486 B17R1.43181 CCNC(=O)C(C)Oc1c(ccc(c1Cl)F)Br 34a_100014979575_100000230173 [0,1,1,0,0,0|1,1,0]=4 487 B17R1.43181 CCNC(=O)C(C)Oc1c(ccc(c1Cl)F)Br 7a_100014979575_100000230173 [0,1,1,0,0,0|1,1,0]=4 488 B17R1.43181 CCNC(=O)C(C)Oc1c(ccc(c1Cl)F)F 34a_100000038336_100000230173 [0,1,1,0,0,0|1,1,0]=4 489 B17R1.43181 CCNC(=O)C(C)Oc1c(ccc(c1Cl)F)F 7a_100000038336_100000230173 [0,1,1,0,0,0|1,1,0]=4 490 B17R1.43181 CCNC(=O)C(C)Oc1c(ccc(c1Cl)N)C 34a_100000036876_100000230173 [0,1,1,0,0,0|2,0,0]=4 491 B17R1.43181 CCNC(=O)C(C)Oc1c(ccc(c1Cl)N)C 7a_100000036876_100000230173 [0,1,1,0,0,0|2,0,0]=4 492 B17R1.43181 CCNC(=O)C(C)Oc1c(ccc(c1F)Br)Cl 34a_100010240321_100000230173 [0,1,1,0,0,0|1,1,0]=4 493 B17R1.43181 CCNC(=O)C(C)Oc1c(ccc(c1F)Br)Cl 7a_100010240321_100000230173 [0,1,1,0,0,0|1,1,0]=4 494 B17R1.43181 CCNC(=O)C(C)Oc1c(ccc(c1F)C)Cl 34a_200000034537_100000230173 [0,1,1,0,0,0|1,1,0]=4 495 B17R1.43181 CCNC(=O)C(C)Oc1c(ccc(c1F)C)Cl 7a_200000034537_100000230173 [0,1,1,0,0,0|1,1,0]=4 496 B17R1.43181 CCNC(=O)C(C)Sc1c(ccc(c1Cl)Cl)Cl 62a_100000230173_200010170825 [0,1,1,0,0,0|1,1,0]=4 497 B17R1.43181 CCNC(=O)C(C)Sc1c(ccc(c1Cl)Cl)Cl 62a_200010170825_100000230173 [0,1,1,0,0,0|1,1,0]=4 498 B17R1.43181 CCOC(=O)C(C)Oc1c(ccc(c1Cl)Br)Cl 34a_100010089855_100011216346 [0,1,1,0,0,0|2,0,0]=4 499 B17R1.43181 CCOC(=O)C(C)Oc1c(ccc(c1Cl)Br)Cl 7a_100010089855_100011216346 [0,1,1,0,0,0|2,0,0]=4 500 B17R1.43181 CCOC(=O)C(C)Oc1c(ccc(c1Cl)C)Cl 34a_200000087117_100011216346 [0,1,1,0,0,0|2,0,0]=4 501 B17R1.43181 CCOC(=O)C(C)Oc1c(ccc(c1Cl)C)Cl 7a_200000087117_100011216346 [0,1,1,0,0,0|2,0,0]=4 502 B17R1.43181 CCOC(=O)C(C)Oc1c(ccc(c1Cl)Cl)Cl 34a_100000042553_100011216346 [0,1,1,0,0,0|2,0,0]=4 503 B17R1.43181 CCOC(=O)C(C)Oc1c(ccc(c1Cl)Cl)Cl 7a_100000042553_100011216346 [0,1,1,0,0,0|2,0,0]=4 504 B17R1.76325 CC(C)NC(=O)C(C)Nc1c(cccc1Cl)Cl 34a_100000210028_100000195394 [0,1,1,0,0,0|2,0,0]=4 505 B17R1.76325 CC(C)NC(=O)C(C)Oc1c(cccc1Br)Cl 34a_100010214474_100000195394 [0,1,1,0,0,0|1,1,0]=4 506 B17R1.76325 CC(C)NC(=O)C(C)Oc1c(cccc1Br)Cl 7a_100010214474_100000195394 [0,1,1,0,0,0|1,1,0]=4 507 B17R1.76325 CC(C)NC(=O)C(C)Oc1c(cccc1Cl)Cl 34a_100000211709_100000195394 [0,1,1,0,0,0|1,0,0]=3 508 B17R1.76325 CC(C)NC(=O)C(C)Oc1c(cccc1Cl)Cl 7a_100000211709_100000195394 [0,1,1,0,0,0|1,0,0]=3 509 B17R1.76325 CC(C)NC(=O)C(C)Oc1c(cccc1Cl)F 34a_100000694953_100000195394 [0,1,1,0,0,0|1,1,0]=4 510 B17R1.76325 CC(C)NC(=O)C(C)Oc1c(cccc1Cl)F 7a_100000694953_100000195394 [0,1,1,0,0,0|1,1,0]=4 511 B17R1.76325 CC(C)NC(=O)C(C)Oc1c(cccc1Cl)N 34a_100000754742_100000195394 [0,1,1,0,0,0|2,0,0]=4 512 B17R1.76325 CC(C)NC(=O)C(C)Oc1c(cccc1I)Cl 34a_100010202889_100000195394 [0,1,1,0,0,0|1,1,0]=4 513 B17R1.76325 CC(C)NC(=O)C(C)Oc1c(cccc1I)Cl 7a_100010202889_100000195394 [0,1,1,0,0,0|1,1,0]=4 514 B17R1.76325 CC(C)NC(=O)C(C)Oc1c(ccnc1Cl)Cl 34a_100000118450_100000195394 [0,1,1,0,0,0|2,0,0]=4 515 B17R1.76325 CC(C)NC(=O)C(C)Oc1c(ccnc1Cl)Cl 7a_100000118450_100000195394 [0,1,1,0,0,0|2,0,0]=4 516 B17R1.76325 CC(C)NC(=O)C(C)Sc1c(cccc1Cl)Cl 62a_100000034237_100000195394 [0,1,1,0,0,0|1,1,0]=4 517 B17R1.76325 CC(C)NC(=O)C(C)Sc1c(cccc1Cl)Cl 62a_100000195394_100000034237 [0,1,1,0,0,0|1,1,0]=4 518 B17R1.76325 Cc1cccc(c1OC(C)C(=O)NC(C)C)Cl 34a_100000033731_100000195394 [0,1,1,0,0,0|2,0,0]=4 519 B17R1.76325 Cc1cccc(c1OC(C)C(=O)NC(C)C)Cl 7a_100000033731_100000195394 [0,1,1,0,0,0|2,0,0]=4 520 B17R1.208081 CCNC(=O)C(C)Nc1c(cc(cc1Cl)Br)Cl 34a_100000211608_100000230173 [0,1,1,0,0,0|2,0,0]=4 521 B17R1.208081 CCNC(=O)C(C)Nc1c(cc(cc1Cl)C)Cl 34a_100011996032_100000230173 [0,1,1,0,0,0|2,0,0]=4 522 B17R1.208081 CCNC(=O)C(C)Nc1c(cc(cc1Cl)Cl)Cl 34a_100000210601_100000230173 [0,1,1,0,0,0|2,0,0]=4 523 B17R1.208081 CCNC(=O)C(C)Nc1c(cc(cc1Cl)F)Cl 34a_100000688861_100000230173 [0,1,1,0,0,0|2,0,0]=4 524 B17R1.208081 CCNC(=O)C(C)Oc1c(cc(cc1Br)Br)Cl 34a_100012337755_100000230173 [0,1,1,0,0,0|1,1,0]=4 525 B17R1.208081 CCNC(=O)C(C)Oc1c(cc(cc1Br)Br)Cl 7a_100012337755_100000230173 [0,1,1,0,0,0|1,1,0]=4 526 B17R1.208081 CCNC(=O)C(C)Oc1c(cc(cc1Br)Cl)Cl 34a_200000243811_100000230173 [0,1,1,0,0,0|1,1,0]=4 527 B17R1.208081 CCNC(=O)C(C)Oc1c(cc(cc1Br)Cl)Cl 7a_200000243811_100000230173 [0,1,1,0,0,0|1,1,0]=4 528 B17R1.208081 CCNC(=O)C(C)Oc1c(cc(cc1Br)F)Cl 34a_100011830411_100000230173 [0,1,1,0,0,0|1,1,0]=4 529 B17R1.208081 CCNC(=O)C(C)Oc1c(cc(cc1Br)F)Cl 7a_100011830411_100000230173 [0,1,1,0,0,0|1,1,0]=4 530 B17R1.208081 CCNC(=O)C(C)Oc1c(cc(cc1Cl)Br)C 34a_100000211485_100000230173 [0,1,1,0,0,0|2,0,0]=4 531 B17R1.208081 CCNC(=O)C(C)Oc1c(cc(cc1Cl)Br)C 7a_100000211485_100000230173 [0,1,1,0,0,0|2,0,0]=4 532 B17R1.208081 CCNC(=O)C(C)Oc1c(cc(cc1Cl)Br)Cl 34a_100000753780_100000230173 [0,1,1,0,0,0|1,0,0]=3 533 B17R1.208081 CCNC(=O)C(C)Oc1c(cc(cc1Cl)Br)Cl 7a_100000753780_100000230173 [0,1,1,0,0,0|1,0,0]=3 534 B17R1.208081 CCNC(=O)C(C)Oc1c(cc(cc1Cl)Br)F 34a_100011216646_100000230173 [0,1,1,0,0,0|1,1,0]=4 535 B17R1.208081 CCNC(=O)C(C)Oc1c(cc(cc1Cl)Br)F 7a_100011216646_100000230173 [0,1,1,0,0,0|1,1,0]=4 536 B17R1.208081 CCNC(=O)C(C)Oc1c(cc(cc1Cl)Br)N 34a_100000694353_100000230173 [0,1,1,0,0,0|2,0,0]=4 537 B17R1.208081 CCNC(=O)C(C)Oc1c(cc(cc1Cl)Br)N 7a_100000694353_100000230173 [0,1,1,0,0,0|2,0,0]=4 538 B17R1.208081 CCNC(=O)C(C)Oc1c(cc(cc1Cl)C)Cl 34a_100000034925_100000230173 [0,1,1,0,0,0|1,0,0]=3 539 B17R1.208081 CCNC(=O)C(C)Oc1c(cc(cc1Cl)C)Cl 7a_100000034925_100000230173 [0,1,1,0,0,0|1,0,0]=3 540 B17R1.208081 CCNC(=O)C(C)Oc1c(cc(cc1Cl)Cl)C 34a_100011218458_100000230173 [0,1,1,0,0,0|2,0,0]=4 541 B17R1.208081 CCNC(=O)C(C)Oc1c(cc(cc1Cl)Cl)C 7a_100011218458_100000230173 [0,1,1,0,0,0|2,0,0]=4 542 B17R1.208081 CCNC(=O)C(C)Oc1c(cc(cc1Cl)Cl)Cl 34a_100000210218_100000230173 [0,1,1,0,0,0|1,0,0]=3 543 B17R1.208081 CCNC(=O)C(C)Oc1c(cc(cc1Cl)Cl)Cl 7a_100000210218_100000230173 [0,1,1,0,0,0|1,0,0]=3 544 B17R1.208081 CCNC(=O)C(C)Oc1c(cc(cc1Cl)Cl)N 34a_100000695819_100000230173 [0,1,1,0,0,0|2,0,0]=4 545 B17R1.208081 CCNC(=O)C(C)Oc1c(cc(cc1Cl)Cl)N 7a_100000695819_100000230173 [0,1,1,0,0,0|2,0,0]=4 546 B17R1.208081 CCNC(=O)C(C)Oc1c(cc(cc1Cl)F)Cl 34a_100011217724_100000230173 [0,1,1,0,0,0|1,0,0]=3 547 B17R1.208081 CCNC(=O)C(C)Oc1c(cc(cc1Cl)F)Cl 7a_100011217724_100000230173 [0,1,1,0,0,0|1,0,0]=3 548 B17R1.208081 CCNC(=O)C(C)Oc1c(cc(cc1Cl)F)F 34a_100011935252_100000230173 [0,1,1,0,0,0|1,1,0]=4 549 B17R1.208081 CCNC(=O)C(C)Oc1c(cc(cc1Cl)F)F 7a_100011935252_100000230173 [0,1,1,0,0,0|1,1,0]=4 550 B17R1.208081 CCNC(=O)C(C)Oc1c(cc(cc1Cl)I)C 34a_200015900153_100000230173 [0,1,1,0,0,0|2,0,0]=4 551 B17R1.208081 CCNC(=O)C(C)Oc1c(cc(cc1Cl)I)C 7a_200015900153_100000230173 [0,1,1,0,0,0|2,0,0]=4 552 B17R1.208081 CCNC(=O)C(C)Oc1c(cc(cc1Cl)I)Cl 7a_100012339652_100000230173 [0,1,1,0,0,0|1,0,0]=3 553 B17R1.208081 CCNC(=O)C(C)Oc1c(cc(cc1Cl)N)Cl 34a_100000695418_100000230173 [0,1,1,0,0,0|1,0,0]=3 554 B17R1.208081 CCNC(=O)C(C)Oc1c(cc(cc1Cl)N)Cl 7a_100000695418_100000230173 [0,1,1,0,0,0|1,0,0]=3 555 B17R1.208081 CCNC(=O)C(C)Oc1c(cc(cc1I)Cl)Cl 34a_200012339341_100000230173 [0,1,1,0,0,0|1,1,0]=4 556 B17R1.208081 CCNC(=O)C(C)Oc1c(cc(cc1I)Cl)Cl 7a_200012339341_100000230173 [0,1,1,0,0,0|1,1,0]=4 557 B17R1.208081 CCNC(=O)C(C)Oc1c(cc(cc1I)I)Cl 7a_100009997439_100000230173 [0,1,1,0,0,0|1,1,0]=4 558 B17R1.208081 CCNC(=O)C(C)Sc1c(cc(cc1Cl)Br)Cl 62a_100000230173_200011263224 [0,1,1,0,0,0|1,1,0]=4 559 B17R1.208081 CCNC(=O)C(C)Sc1c(cc(cc1Cl)Br)Cl 62a_200011263224_100000230173 [0,1,1,0,0,0|1,1,0]=4 560 B17R1.208081 CCNC(=O)C(C)Sc1c(cc(cc1Cl)Cl)Cl 62a_100000230173_200011216440 [0,1,1,0,0,0|1,1,0]=4 561 B17R1.208081 CCNC(=O)C(C)Sc1c(cc(cc1Cl)Cl)Cl 62a_200011216440_100000230173 [0,1,1,0,0,0|1,1,0]=4 562 B17R1.208081 CCNC(=O)C(C)Sc1c(cc(cc1Cl)F)Cl 62a_100000230173_100010175091 [0,1,1,0,0,0|1,1,0]=4 563 B17R1.208081 CCNC(=O)C(C)Sc1c(cc(cc1Cl)F)Cl 62a_100010175091_100000230173 [0,1,1,0,0,0|1,1,0]=4 564 B17R1.208081 CCOC(=O)C(C)Oc1c(cc(cc1Cl)Br)Cl 34a_100000753780_100011216346 [0,1,1,0,0,0|2,0,0]=4 565 B17R1.208081 CCOC(=O)C(C)Oc1c(cc(cc1Cl)Br)Cl 7a_100000753780_100011216346 [0,1,1,0,0,0|2,0,0]=4 566 B17R1.208081 CCOC(=O)C(C)Oc1c(cc(cc1Cl)C)Cl 34a_100000034925_100011216346 [0,1,1,0,0,0|2,0,0]=4 567 B17R1.208081 CCOC(=O)C(C)Oc1c(cc(cc1Cl)C)Cl 7a_100000034925_100011216346 [0,1,1,0,0,0|2,0,0]=4 568 B17R1.208081 CCOC(=O)C(C)Oc1c(cc(cc1Cl)Cl)Cl 34a_100000210218_100011216346 [0,1,1,0,0,0|2,0,0]=4 569 B17R1.208081 CCOC(=O)C(C)Oc1c(cc(cc1Cl)Cl)Cl 7a_100000210218_100011216346 [0,1,1,0,0,0|2,0,0]=4 570 B17R1.208081 CCOC(=O)C(C)Oc1c(cc(cc1Cl)F)Cl 34a_100011217724_100011216346 [0,1,1,0,0,0|2,0,0]=4 571 B17R1.208081 CCOC(=O)C(C)Oc1c(cc(cc1Cl)F)Cl 7a_100011217724_100011216346 [0,1,1,0,0,0|2,0,0]=4 572 B17R1.208081 CCOC(=O)C(C)Oc1c(cc(cc1Cl)I)Cl 7a_100012339652_100011216346 [0,1,1,0,0,0|2,0,0]=4 573 B17R1.208081 CCOC(=O)C(C)Oc1c(cc(cc1Cl)N)Cl 34a_100000695418_100011216346 [0,1,1,0,0,0|2,0,0]=4 574 B17R1.208081 CCOC(=O)C(C)Oc1c(cc(cc1Cl)N)Cl 7a_100000695418_100011216346 [0,1,1,0,0,0|2,0,0]=4 575 B17R1.221592 CCN(C)C(=O)C(C)Nc1c(cccc1Cl)Cl 34a_100000210028_200012002205 [0,1,1,0,0,0|2,0,0]=4 576 B17R1.221592 CCN(C)C(=O)C(C)Oc1c(cccc1Br)Cl 34a_100010214474_200012002205 [0,1,1,0,0,0|1,1,0]=4 577 B17R1.221592 CCN(C)C(=O)C(C)Oc1c(cccc1Br)Cl 7a_100010214474_200012002205 [0,1,1,0,0,0|1,1,0]=4 578 B17R1.221592 CCN(C)C(=O)C(C)Oc1c(cccc1Cl)C 34a_100000033731_200012002205 [0,1,1,0,0,0|2,0,0]=4 579 B17R1.221592 CCN(C)C(=O)C(C)Oc1c(cccc1Cl)C 7a_100000033731_200012002205 [0,1,1,0,0,0|2,0,0]=4 580 B17R1.221592 CCN(C)C(=O)C(C)Oc1c(cccc1Cl)Cl 34a_100000211709_200012002205 [0,1,1,0,0,0|1,0,0]=3 581 B17R1.221592 CCN(C)C(=O)C(C)Oc1c(cccc1Cl)Cl 7a_100000211709_200012002205 [0,1,1,0,0,0|1,0,0]=3 582 B17R1.221592 CCN(C)C(=O)C(C)Oc1c(cccc1Cl)F 34a_100000694953_200012002205 [0,1,1,0,0,0|1,1,0]=4 583 B17R1.221592 CCN(C)C(=O)C(C)Oc1c(cccc1Cl)F 7a_100000694953_200012002205 [0,1,1,0,0,0|1,1,0]=4 584 B17R1.221592 CCN(C)C(=O)C(C)Oc1c(cccc1Cl)N 34a_100000754742_200012002205 [0,1,1,0,0,0|2,0,0]=4 585 B17R1.221592 CCN(C)C(=O)C(C)Oc1c(cccc1I)Cl 34a_100010202889_200012002205 [0,1,1,0,0,0|1,1,0]=4 586 B17R1.221592 CCN(C)C(=O)C(C)Oc1c(cccc1I)Cl 7a_100010202889_200012002205 [0,1,1,0,0,0|1,1,0]=4 587 B17R1.221592 CCN(C)C(=O)C(C)Oc1c(ccnc1Cl)Cl 34a_100000118450_200012002205 [0,1,1,0,0,0|2,0,0]=4 588 B17R1.221592 CCN(C)C(=O)C(C)Oc1c(ccnc1Cl)Cl 7a_100000118450_200012002205 [0,1,1,0,0,0|2,0,0]=4 589 B17R1.221592 CCN(C)C(=O)C(C)Sc1c(cccc1Cl)Cl 62a_100000034237_200012002205 [0,1,1,0,0,0|1,1,0]=4 590 B17R1.221592 CCN(C)C(=O)C(C)Sc1c(cccc1Cl)Cl 62a_200012002205_100000034237 [0,1,1,0,0,0|1,1,0]=4 591 B17R1.332043 CCNC(=O)C(C)C(=O)c1c(cccc1Cl)Cl 1458a_100000210656_100000230173 [0,1,1,0,0,0|2,0,0]=4 592 B17R1.332043 CCNC(=O)C(C)N(C)c1c(cccc1Cl)Cl 269982a_100000691019_100000230173 [0,1,1,0,0,0|2,0,0]=4 593 B17R1.332043 CCNC(=O)C(C)N(C)c1c(cccc1Cl)Cl 34a_100000691019_100000230173 [0,1,1,0,0,0|2,0,0]=4 594 B17R1.353943 CCOC(=O)C(C)(C)Oc1c(cccc1Cl)Cl 7a_100000211709_100011216345 [0,1,1,0,0,0|2,0,0]=4 595 B17R1.370326 CCOC(=O)C(CC)Oc1c(cccc1Cl)Cl 34a_100000211709_100000212269 [0,1,1,0,0,0|2,0,0]=4 596 B17R1.370326 CCOC(=O)C(CC)Oc1c(cccc1Cl)Cl 7a_100000211709_100000212269 [0,1,1,0,0,0|2,0,0]=4 597 B17R1.370326 CCOC(=O)C(Oc1c(cccc1Cl)Cl)SC 34a_100000211709_100009893047 [0,1,1,0,0,0|2,0,0]=4 598 B17R2.38423 Cn1ccnc1COc2c(cccc2Cl)Cl 34a_100000211709_100000700302 [1,1,0,0,0,0|0,0,2]=4 599 B17R2.38423 Cn1ccnc1COc2c(cccc2Cl)Cl 7a_100000211709_100000700302 [1,1,0,0,0,0|0,0,2]=4 600 B17R2.41886 CN(CC1=NCCN1)c2c(cccc2Cl)Cl 269982a_100000691019_100000737910 [1,1,0,0,0,0|1,0,0]=3 601 B17R2.41886 CN(CC1=NCCN1)c2c(cccc2Cl)Cl 34a_100000691019_100000737910 [1,1,0,0,0,0|1,0,0]=3 602 B17R2.71328 CCc1cccc(c1OCC2=NCCN2)Br 34a_200010001580_100000737910 [1,1,0,0,0,0|1,1,0]=4 603 B17R2.71328 CCc1cccc(c1OCC2=NCCN2)Br 7a_200010001580_100000737910 [1,1,0,0,0,0|1,1,0]=4 604 B17R2.71328 CCc1cccc(c1OCC2=NCCN2)C 34a_100000034007_100000737910 [1,1,0,0,0,0|2,0,0]=4 605 B17R2.71328 CCc1cccc(c1OCC2=NCCN2)C 7a_100000034007_100000737910 [1,1,0,0,0,0|2,0,0]=4 606 B17R2.71328 COc1cccc(c1NCC2=NCCN2)Cl 34a_100011309317_100000737910 [1,1,0,0,0,0|2,0,0]=4 607 B17R2.71328 COc1cccc(c1OCC2=NCCN2)Br 34a_100000686866_100000737910 [1,1,0,0,0,0|1,1,0]=4 608 B17R2.71328 COc1cccc(c1OCC2=NCCN2)C 34a_100011219253_100000737910 [1,1,0,0,0,0|2,0,0]=4 609 B17R2.71328 COc1cccc(c1OCC2=NCCN2)C 7a_100011219253_100000737910 [1,1,0,0,0,0|2,0,0]=4 610 B17R2.71328 COc1cccc(c1OCC2=NCCN2)Cl 34a_100009851661_100000737910 [1,1,0,0,0,0|1,0,0]=3 611 B17R2.71328 COc1cccc(c1OCC2=NCCN2)Cl 7a_100009851661_100000737910 [1,1,0,0,0,0|1,0,0]=3 612 B17R2.71328 COc1cccc(c1OCC2=NCCN2)F 34a_100000036725_100000737910 [1,1,0,0,0,0|1,1,0]=4 613 B17R2.71328 COc1cccc(c1OCC2=NCCN2)F 7a_100000036725_100000737910 [1,1,0,0,0,0|1,1,0]=4 614 B17R2.71328 COc1cccc(c1OCC2=NCCN2)N 34a_100000123586_100000737910 [1,1,0,0,0,0|2,0,0]=4 615 B17R2.71328 Cc1cccc(c1OCC2=NCCN2)C#N 34a_100011659161_100000737910 [1,1,0,0,0,0|2,0,0]=4 616 B17R2.71328 Cc1cccc(c1OCC2=NCCN2)C#N 7a_100011659161_100000737910 [1,1,0,0,0,0|2,0,0]=4 617 B17R2.71328 Cc1cccc(c1OCC2=NCCN2)CN 34a_100020639391_100000737910 [1,1,0,0,0,0|2,0,0]=4 618 B17R2.71328 N#Cc1cccc(c1OCC2=NCCN2)Br 34a_100009817103_100000737910 [1,1,0,0,0,0|1,1,0]=4 619 B17R2.71328 N#Cc1cccc(c1OCC2=NCCN2)Cl 34a_100009866432_100000737910 [1,1,0,0,0,0|1,0,0]=3 620 B17R2.71328 N#Cc1cccc(c1OCC2=NCCN2)Cl 7a_100009866432_100000737910 [1,1,0,0,0,0|1,0,0]=3 621 B17R2.71328 N#Cc1cccc(c1OCC2=NCCN2)F 34a_100000117915_100000737910 [1,1,0,0,0,0|1,1,0]=4 622 B17R2.71328 N#Cc1cccc(c1OCC2=NCCN2)F 7a_100000117915_100000737910 [1,1,0,0,0,0|1,1,0]=4 623 B17R2.71328 N#Cc1cccc(c1SCC2=NCCN2)Cl 62a_100000737910_100010134094 [1,1,0,0,0,0|1,1,0]=4 624 B17R2.71328 OCc1cccc(c1NCC2=NCCN2)Cl 34a_100012182729_100000737910 [1,1,0,0,0,0|2,0,0]=4 625 B17R2.71328 OCc1cccc(c1OCC2=NCCN2)F 34a_100011997349_100000737910 [1,1,0,0,0,0|1,1,0]=4 626 B17R2.71328 OCc1cccc(c1OCC2=NCCN2)F 7a_100011997349_100000737910 [1,1,0,0,0,0|1,1,0]=4 627 B17R2.83661 Brc1cc(c(c(c1)Br)OCC2=NCCN2)Br 34a_100000210219_100000737910 [1,1,0,0,0,0|0,2,0]=4 628 B17R2.83661 Brc1cc(c(c(c1)Br)OCC2=NCCN2)Br 7a_100000210219_100000737910 [1,1,0,0,0,0|0,2,0]=4 629 B17R2.83661 Cc1cc(c(c(c1)Br)NCC2=NCCN2)Cl 34a_100012339639_100000737910 [1,1,0,0,0,0|1,1,0]=4 630 B17R2.83661 Cc1cc(c(c(c1)Br)OCC2=NCCN2)Br 34a_100000203795_100000737910 [1,1,0,0,0,0|0,2,0]=4 631 B17R2.83661 Cc1cc(c(c(c1)Br)OCC2=NCCN2)Br 7a_100000203795_100000737910 [1,1,0,0,0,0|0,2,0]=4 632 B17R2.83661 Cc1cc(c(c(c1)Br)OCC2=NCCN2)C 34a_100011934984_100000737910 [1,1,0,0,0,0|1,1,0]=4 633 B17R2.83661 Cc1cc(c(c(c1)Br)OCC2=NCCN2)C 7a_100011934984_100000737910 [1,1,0,0,0,0|1,1,0]=4 634 B17R2.83661 Cc1cc(c(c(c1)Br)OCC2=NCCN2)F 34a_200010713133_100000737910 [1,1,0,0,0,0|0,2,0]=4 635 B17R2.83661 Cc1cc(c(c(c1)Br)OCC2=NCCN2)F 7a_200010713133_100000737910 [1,1,0,0,0,0|0,2,0]=4 636 B17R2.83661 Cc1cc(c(c(c1)C)OCC2=NCCN2)C 34a_100000212074_100000737910 [1,1,0,0,0,0|2,0,0]=4 637 B17R2.83661 Cc1cc(c(c(c1)C)OCC2=NCCN2)C 7a_100000212074_100000737910 [1,1,0,0,0,0|2,0,0]=4 638 B17R2.83661 Cc1cc(c(c(c1)Cl)NCC2=NCCN2)C 34a_100000211461_100000737910 [1,1,0,0,0,0|2,0,0]=4 639 B17R2.83661 Cc1cc(c(c(c1)Cl)NCC2=NCCN2)C 7a_100000211461_100000737910 [1,1,0,0,0,0|2,0,0]=4 640 B17R2.83661 Cc1cc(c(c(c1)Cl)NCC2=NCCN2)Cl 34a_100011996032_100000737910 [1,1,0,0,0,0|1,0,0]=3 641 B17R2.83661 Cc1cc(c(c(c1)Cl)NCC2=NCCN2)O 34a_100015906060_100000737910 [1,1,0,0,0,0|2,0,0]=4 642 B17R2.83661 Cc1cc(c(c(c1)Cl)OCC2=NCCN2)Cl 34a_100000034925_100000737910 [1,1,0,0,0,0|0,0,0]=2 643 B17R2.83661 Cc1cc(c(c(c1)Cl)OCC2=NCCN2)Cl 7a_100000034925_100000737910 [1,1,0,0,0,0|0,0,0]=2 644 B17R2.83661 Cc1cc(c(c(c1)Cl)OCc2ncc[nH]2)Cl 34a_100000034925_100016991755 [1,1,0,0,0,0|0,0,2]=4 645 B17R2.83661 Cc1cc(c(c(c1)Cl)OCc2ncc[nH]2)Cl 7a_100000034925_100000753453 [1,1,0,0,0,0|0,0,2]=4 646 B17R2.83661 Cc1cc(c(c(c1)Cl)OCc2nnn[nH]2)Cl 34a_100000034925_100000765167 [1,1,0,0,0,0|2,0,0]=4 647 B17R2.83661 Cc1cc(c(c(c1)Cl)OCc2nnn[nH]2)Cl 7a_100000034925_100000765167 [1,1,0,0,0,0|2,0,0]=4 648 B17R2.83661 Cc1cc(c(c(c1)I)OCC2=NCCN2)F 34a_200135191068_100000737910 [1,1,0,0,0,0|0,2,0]=4 649 B17R2.83661 Cc1cc(c(c(c1)I)OCC2=NCCN2)F 7a_200135191068_100000737910 [1,1,0,0,0,0|0,2,0]=4 650 B17R2.83661 Cc1cc(c(c(c1)N)OCC2=NCCN2)C 34a_100011216242_100000737910 [1,1,0,0,0,0|2,0,0]=4 651 B17R2.83661 Cc1cc(c(c(c1)N)OCC2=NCCN2)C 7a_100011216242_100000737910 [1,1,0,0,0,0|2,0,0]=4 652 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Cl)Br 34a_100000741131_100000737910 [1,1,0,0,0,0|2,0,0]=4 653 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Cl)Br 7a_100000741131_100000737910 [1,1,0,0,0,0|2,0,0]=4 654 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Cl)Cl 34a_100011215104_100000737910 [1,1,0,0,0,0|2,0,0]=4 655 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Cl)Cl 7a_100011215104_100000737910 [1,1,0,0,0,0|2,0,0]=4 656 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Cl)F 34a_100000725997_100000737910 [1,1,0,0,0,0|2,0,0]=4 657 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Cl)F 7a_100000725997_100000737910 [1,1,0,0,0,0|2,0,0]=4 658 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Br)Br 34a_100000186369_100000737910 [1,1,0,0,0,0|1,1,0]=4 659 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Br)Br 7a_100000186369_100000737910 [1,1,0,0,0,0|1,1,0]=4 660 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Br)Cl 34a_100012337756_100000737910 [1,1,0,0,0,0|1,1,0]=4 661 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Br)Cl 7a_100012337756_100000737910 [1,1,0,0,0,0|1,1,0]=4 662 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Br)I 34a_100010982682_100000737910 [1,1,0,0,0,0|1,1,0]=4 663 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Br)I 7a_100010982682_100000737910 [1,1,0,0,0,0|1,1,0]=4 664 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Br)N 34a_100010064301_100000737910 [1,1,0,0,0,0|1,1,0]=4 665 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Br)N 7a_100010064301_100000737910 [1,1,0,0,0,0|1,1,0]=4 666 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)C)Br 34a_100000187306_100000737910 [1,1,0,0,0,0|2,0,0]=4 667 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)C)Br 7a_100000187306_100000737910 [1,1,0,0,0,0|2,0,0]=4 668 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)C)Cl 34a_100000211519_100000737910 [1,1,0,0,0,0|2,0,0]=4 669 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)C)Cl 7a_100000211519_100000737910 [1,1,0,0,0,0|2,0,0]=4 670 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)C)F 34a_100000081862_100000737910 [1,1,0,0,0,0|2,0,0]=4 671 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)C)F 7a_100000081862_100000737910 [1,1,0,0,0,0|2,0,0]=4 672 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)C)I 34a_100011216129_100000737910 [1,1,0,0,0,0|2,0,0]=4 673 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)C)I 7a_100011216129_100000737910 [1,1,0,0,0,0|2,0,0]=4 674 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)C)N 34a_100000703291_100000737910 [1,1,0,0,0,0|2,0,0]=4 675 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)C)N 7a_100000703291_100000737910 [1,1,0,0,0,0|2,0,0]=4 676 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Cl)Br 34a_100000211485_100000737910 [1,1,0,0,0,0|1,0,0]=3 677 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Cl)Br 7a_100000211485_100000737910 [1,1,0,0,0,0|1,0,0]=3 678 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Cl)Cl 34a_100011218458_100000737910 [1,1,0,0,0,0|1,0,0]=3 679 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Cl)Cl 7a_100011218458_100000737910 [1,1,0,0,0,0|1,0,0]=3 680 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Cl)I 34a_200015900153_100000737910 [1,1,0,0,0,0|1,0,0]=3 681 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Cl)I 7a_200015900153_100000737910 [1,1,0,0,0,0|1,0,0]=3 682 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)I)Cl 34a_100012343667_100000737910 [1,1,0,0,0,0|1,1,0]=4 683 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)I)Cl 7a_100012343667_100000737910 [1,1,0,0,0,0|1,1,0]=4 684 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)N)Br 34a_100011825904_100000737910 [1,1,0,0,0,0|2,0,0]=4 685 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)N)Br 7a_100011825904_100000737910 [1,1,0,0,0,0|2,0,0]=4 686 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)N)F 34a_100000130126_100000737910 [1,1,0,0,0,0|2,0,0]=4 687 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)N)F 7a_100000130126_100000737910 [1,1,0,0,0,0|2,0,0]=4 688 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)Cl)Cl 62a_100000737910_200000035511 [1,1,0,0,0,0|1,1,0]=4 689 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)Cl)Cl 62a_200000035511_100000737910 [1,1,0,0,0,0|1,1,0]=4 690 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)Cl)F 62a_100000737910_100010079234 [1,1,0,0,0,0|1,1,0]=4 691 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)Cl)F 62a_100010079234_100000737910 [1,1,0,0,0,0|1,1,0]=4 692 B17R2.83661 Clc1cc(c(c(c1)Br)NCC2=NCCN2)Cl 34a_100011218119_100000737910 [1,1,0,0,0,0|1,1,0]=4 693 B17R2.83661 Clc1cc(c(c(c1)Br)OCC2=NCCN2)Br 34a_100012337757_100000737910 [1,1,0,0,0,0|0,2,0]=4 694 B17R2.83661 Clc1cc(c(c(c1)Br)OCC2=NCCN2)Br 7a_100012337757_100000737910 [1,1,0,0,0,0|0,2,0]=4 695 B17R2.83661 Clc1cc(c(c(c1)Br)OCC2=NCCN2)Cl 34a_200000243811_100000737910 [1,1,0,0,0,0|0,1,0]=3 696 B17R2.83661 Clc1cc(c(c(c1)Br)OCC2=NCCN2)Cl 7a_200000243811_100000737910 [1,1,0,0,0,0|0,1,0]=3 697 B17R2.83661 Clc1cc(c(c(c1)Br)SCC2=NCCN2)Cl 62a_100000737910_200009992027 [1,1,0,0,0,0|0,2,0]=4 698 B17R2.83661 Clc1cc(c(c(c1)Br)SCC2=NCCN2)Cl 62a_200009992027_100000737910 [1,1,0,0,0,0|0,2,0]=4 699 B17R2.83661 Clc1cc(c(c(c1)Cl)NCC2=NCCN2)Cl 34a_100000210601_100000737910 [1,1,0,0,0,0|1,0,0]=3 700 B17R2.83661 Clc1cc(c(c(c1)Cl)OCC2=NCCN2)Cl 34a_100000210218_100000737910 [1,1,0,0,0,0|0,0,0]=2 701 B17R2.83661 Clc1cc(c(c(c1)Cl)OCC2=NCCN2)Cl 7a_100000210218_100000737910 [1,1,0,0,0,0|0,0,0]=2 702 B17R2.83661 Clc1cc(c(c(c1)Cl)OCc2ncc[nH]2)Cl 34a_100000210218_100016991755 [1,1,0,0,0,0|0,0,2]=4 703 B17R2.83661 Clc1cc(c(c(c1)Cl)OCc2ncc[nH]2)Cl 7a_100000210218_100000753453 [1,1,0,0,0,0|0,0,2]=4 704 B17R2.83661 Clc1cc(c(c(c1)Cl)OCc2nnn[nH]2)Cl 34a_100000210218_100000765167 [1,1,0,0,0,0|2,0,0]=4 705 B17R2.83661 Clc1cc(c(c(c1)Cl)OCc2nnn[nH]2)Cl 7a_100000210218_100000765167 [1,1,0,0,0,0|2,0,0]=4 706 B17R2.83661 Clc1cc(c(c(c1)Cl)SCC2=NCCN2)Cl 62a_100000737910_200011216440 [1,1,0,0,0,0|0,1,0]=3 707 B17R2.83661 Clc1cc(c(c(c1)Cl)SCC2=NCCN2)Cl 62a_200011216440_100000737910 [1,1,0,0,0,0|0,1,0]=3 708 B17R2.83661 Clc1cc(c(c(c1)I)OCC2=NCCN2)Cl 34a_200012339341_100000737910 [1,1,0,0,0,0|0,1,0]=3 709 B17R2.83661 Clc1cc(c(c(c1)I)OCC2=NCCN2)Cl 7a_200012339341_100000737910 [1,1,0,0,0,0|0,1,0]=3 710 B17R2.83661 Clc1cc(c(c(c1)I)OCC2=NCCN2)I 7a_100000730656_100000737910 [1,1,0,0,0,0|0,2,0]=4 711 B17R2.83661 Clc1cc(cc(c1NCC2=NCCN2)Br)Br 34a_100011216035_100000737910 [1,1,0,0,0,0|1,1,0]=4 712 B17R2.83661 Clc1cc(cc(c1NCC2=NCCN2)Cl)Br 34a_100000211608_100000737910 [1,1,0,0,0,0|1,0,0]=3 713 B17R2.83661 Clc1cc(cc(c1OCC2=NCCN2)Br)Br 34a_100012337755_100000737910 [1,1,0,0,0,0|0,1,0]=3 714 B17R2.83661 Clc1cc(cc(c1OCC2=NCCN2)Br)Br 7a_100012337755_100000737910 [1,1,0,0,0,0|0,1,0]=3 715 B17R2.83661 Clc1cc(cc(c1OCC2=NCCN2)Cl)Br 34a_100000753780_100000737910 [1,1,0,0,0,0|0,0,0]=2 716 B17R2.83661 Clc1cc(cc(c1OCC2=NCCN2)Cl)Br 7a_100000753780_100000737910 [1,1,0,0,0,0|0,0,0]=2 717 B17R2.83661 Clc1cc(cc(c1OCC2=NCCN2)Cl)I 7a_100012339652_100000737910 [1,1,0,0,0,0|0,0,0]=2 718 B17R2.83661 Clc1cc(cc(c1OCC2=NCCN2)I)I 7a_100009997439_100000737910 [1,1,0,0,0,0|0,1,0]=3 719 B17R2.83661 Clc1cc(cc(c1OCc2ncc[nH]2)Cl)Br 34a_100000753780_100016991755 [1,1,0,0,0,0|0,0,2]=4 720 B17R2.83661 Clc1cc(cc(c1OCc2ncc[nH]2)Cl)Br 7a_100000753780_100000753453 [1,1,0,0,0,0|0,0,2]=4 721 B17R2.83661 Clc1cc(cc(c1OCc2ncc[nH]2)Cl)I 7a_100012339652_100000753453 [1,1,0,0,0,0|0,0,2]=4 722 B17R2.83661 Clc1cc(cc(c1OCc2nnn[nH]2)Cl)Br 34a_100000753780_100000765167 [1,1,0,0,0,0|2,0,0]=4 723 B17R2.83661 Clc1cc(cc(c1OCc2nnn[nH]2)Cl)Br 7a_100000753780_100000765167 [1,1,0,0,0,0|2,0,0]=4 724 B17R2.83661 Clc1cc(cc(c1OCc2nnn[nH]2)Cl)I 7a_100012339652_100000765167 [1,1,0,0,0,0|2,0,0]=4 725 B17R2.83661 Clc1cc(cc(c1SCC2=NCCN2)Cl)Br 62a_100000737910_200011263224 [1,1,0,0,0,0|0,1,0]=3 726 B17R2.83661 Clc1cc(cc(c1SCC2=NCCN2)Cl)Br 62a_200011263224_100000737910 [1,1,0,0,0,0|0,1,0]=3 727 B17R2.83661 Fc1cc(c(c(c1)Br)NCC2=NCCN2)Cl 34a_100000694656_100000737910 [1,1,0,0,0,0|1,1,0]=4 728 B17R2.83661 Fc1cc(c(c(c1)Br)OCC2=NCCN2)Br 34a_100011215434_100000737910 [1,1,0,0,0,0|0,2,0]=4 729 B17R2.83661 Fc1cc(c(c(c1)Br)OCC2=NCCN2)Br 7a_100011215434_100000737910 [1,1,0,0,0,0|0,2,0]=4 730 B17R2.83661 Fc1cc(c(c(c1)Br)OCC2=NCCN2)Cl 34a_100011830411_100000737910 [1,1,0,0,0,0|0,1,0]=3 731 B17R2.83661 Fc1cc(c(c(c1)Br)OCC2=NCCN2)Cl 7a_100011830411_100000737910 [1,1,0,0,0,0|0,1,0]=3 732 B17R2.83661 Fc1cc(c(c(c1)Br)OCC2=NCCN2)F 34a_100000688693_100000737910 [1,1,0,0,0,0|0,2,0]=4 733 B17R2.83661 Fc1cc(c(c(c1)Br)OCC2=NCCN2)F 7a_100000688693_100000737910 [1,1,0,0,0,0|0,2,0]=4 734 B17R2.83661 Fc1cc(c(c(c1)Br)SCC2=NCCN2)Cl 62a_100000737910_100012356682 [1,1,0,0,0,0|0,2,0]=4 735 B17R2.83661 Fc1cc(c(c(c1)Br)SCC2=NCCN2)Cl 62a_100012356682_100000737910 [1,1,0,0,0,0|0,2,0]=4 736 B17R2.83661 Fc1cc(c(c(c1)Cl)NCC2=NCCN2)Cl 34a_100000688861_100000737910 [1,1,0,0,0,0|1,0,0]=3 737 B17R2.83661 Fc1cc(c(c(c1)Cl)NCC2=NCCN2)F 34a_100000688773_100000737910 [1,1,0,0,0,0|1,1,0]=4 738 B17R2.83661 Fc1cc(c(c(c1)Cl)OCC2=NCCN2)Cl 34a_100011217724_100000737910 [1,1,0,0,0,0|0,0,0]=2 739 B17R2.83661 Fc1cc(c(c(c1)Cl)OCC2=NCCN2)Cl 7a_100011217724_100000737910 [1,1,0,0,0,0|0,0,0]=2 740 B17R2.83661 Fc1cc(c(c(c1)Cl)OCC2=NCCN2)F 34a_100011935252_100000737910 [1,1,0,0,0,0|0,1,0]=3 741 B17R2.83661 Fc1cc(c(c(c1)Cl)OCC2=NCCN2)F 7a_100011935252_100000737910 [1,1,0,0,0,0|0,1,0]=3 742 B17R2.83661 Fc1cc(c(c(c1)Cl)OCc2ncc[nH]2)Cl 34a_100011217724_100016991755 [1,1,0,0,0,0|0,0,2]=4 743 B17R2.83661 Fc1cc(c(c(c1)Cl)OCc2ncc[nH]2)Cl 7a_100011217724_100000753453 [1,1,0,0,0,0|0,0,2]=4 744 B17R2.83661 Fc1cc(c(c(c1)Cl)OCc2nnn[nH]2)Cl 34a_100011217724_100000765167 [1,1,0,0,0,0|2,0,0]=4 745 B17R2.83661 Fc1cc(c(c(c1)Cl)OCc2nnn[nH]2)Cl 7a_100011217724_100000765167 [1,1,0,0,0,0|2,0,0]=4 746 B17R2.83661 Fc1cc(c(c(c1)Cl)SCC2=NCCN2)Cl 62a_100000737910_100010175091 [1,1,0,0,0,0|0,1,0]=3 747 B17R2.83661 Fc1cc(c(c(c1)Cl)SCC2=NCCN2)Cl 62a_100010175091_100000737910 [1,1,0,0,0,0|0,1,0]=3 748 B17R2.83661 Fc1cc(c(c(c1)F)OCC2=NCCN2)F 34a_100011218396_100000737910 [1,1,0,0,0,0|0,2,0]=4 749 B17R2.83661 Fc1cc(c(c(c1)F)OCC2=NCCN2)F 7a_100011218396_100000737910 [1,1,0,0,0,0|0,2,0]=4 750 B17R2.83661 Fc1cc(c(c(c1)I)OCC2=NCCN2)Br 34a_200013085147_100000737910 [1,1,0,0,0,0|0,2,0]=4 751 B17R2.83661 Fc1cc(c(c(c1)I)OCC2=NCCN2)Br 7a_200013085147_100000737910 [1,1,0,0,0,0|0,2,0]=4 752 B17R2.83661 Fc1cc(c(c(c1)I)OCC2=NCCN2)F 34a_200013204775_100000737910 [1,1,0,0,0,0|0,2,0]=4 753 B17R2.83661 Fc1cc(c(c(c1)I)OCC2=NCCN2)F 7a_200013204775_100000737910 [1,1,0,0,0,0|0,2,0]=4 754 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)Cl)Br 34a_100000725741_100000737910 [1,1,0,0,0,0|1,1,0]=4 755 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)Cl)Br 7a_100000725741_100000737910 [1,1,0,0,0,0|1,1,0]=4 756 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)Cl)Cl 34a_100000688862_100000737910 [1,1,0,0,0,0|1,1,0]=4 757 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)Cl)Cl 7a_100000688862_100000737910 [1,1,0,0,0,0|1,1,0]=4 758 B17R2.83661 Fc1cc(cc(c1OCC2=NCCN2)Br)Br 34a_100011216695_100000737910 [1,1,0,0,0,0|0,2,0]=4 759 B17R2.83661 Fc1cc(cc(c1OCC2=NCCN2)Br)Br 7a_100011216695_100000737910 [1,1,0,0,0,0|0,2,0]=4 760 B17R2.83661 Fc1cc(cc(c1OCC2=NCCN2)Br)Cl 34a_100011830412_100000737910 [1,1,0,0,0,0|0,2,0]=4 761 B17R2.83661 Fc1cc(cc(c1OCC2=NCCN2)Br)Cl 7a_100011830412_100000737910 [1,1,0,0,0,0|0,2,0]=4 762 B17R2.83661 Fc1cc(cc(c1OCC2=NCCN2)Cl)Br 34a_100011216646_100000737910 [1,1,0,0,0,0|0,1,0]=3 763 B17R2.83661 Fc1cc(cc(c1OCC2=NCCN2)Cl)Br 7a_100011216646_100000737910 [1,1,0,0,0,0|0,1,0]=3 764 B17R2.83661 Fc1cc(cc(c1OCC2=NCCN2)F)Br 34a_100011216917_100000737910 [1,1,0,0,0,0|0,2,0]=4 765 B17R2.83661 Fc1cc(cc(c1OCC2=NCCN2)F)Br 7a_100011216917_100000737910 [1,1,0,0,0,0|0,2,0]=4 766 B17R2.83661 Fc1cc(cc(c1OCC2=NCCN2)F)Cl 34a_100011830429_100000737910 [1,1,0,0,0,0|0,2,0]=4 767 B17R2.83661 Fc1cc(cc(c1OCC2=NCCN2)F)Cl 7a_100011830429_100000737910 [1,1,0,0,0,0|0,2,0]=4 768 B17R2.83661 Fc1cc(cc(c1OCC2=NCCN2)F)I 34a_200011830255_100000737910 [1,1,0,0,0,0|0,2,0]=4 769 B17R2.83661 Fc1cc(cc(c1OCC2=NCCN2)F)I 7a_200011830255_100000737910 [1,1,0,0,0,0|0,2,0]=4 770 B17R2.83661 Fc1cc(cc(c1OCC2=NCCN2)I)Br 34a_100013354677_100000737910 [1,1,0,0,0,0|0,2,0]=4 771 B17R2.83661 Fc1cc(cc(c1OCC2=NCCN2)I)Br 7a_100013354677_100000737910 [1,1,0,0,0,0|0,2,0]=4 772 B17R2.83661 Fc1cc(cc(c1SCC2=NCCN2)Cl)Br 62a_100000737910_100010212234 [1,1,0,0,0,0|0,2,0]=4 773 B17R2.83661 Fc1cc(cc(c1SCC2=NCCN2)Cl)Br 62a_100010212234_100000737910 [1,1,0,0,0,0|0,2,0]=4 774 B17R2.83661 Nc1cc(c(c(c1)Br)OCC2=NCCN2)Br 34a_200000186426_100000737910 [1,1,0,0,0,0|0,2,0]=4 775 B17R2.83661 Nc1cc(c(c(c1)Cl)OCC2=NCCN2)Cl 34a_100000695418_100000737910 [1,1,0,0,0,0|0,0,0]=2 776 B17R2.83661 Nc1cc(c(c(c1)Cl)OCC2=NCCN2)Cl 7a_100000695418_100000737910 [1,1,0,0,0,0|0,0,0]=2 777 B17R2.83661 Nc1cc(c(c(c1)Cl)OCc2ncc[nH]2)Cl 34a_100000695418_100016991755 [1,1,0,0,0,0|0,0,2]=4 778 B17R2.83661 Nc1cc(c(c(c1)Cl)OCc2ncc[nH]2)Cl 7a_100000695418_100000753453 [1,1,0,0,0,0|0,0,2]=4 779 B17R2.83661 Nc1cc(c(c(c1)Cl)OCc2nnn[nH]2)Cl 34a_100000695418_100000765167 [1,1,0,0,0,0|2,0,0]=4 780 B17R2.83661 Nc1cc(c(c(c1)Cl)OCc2nnn[nH]2)Cl 7a_100000695418_100000765167 [1,1,0,0,0,0|2,0,0]=4 781 B17R2.83661 Nc1cc(c(c(c1)Cl)SCC2=NCCN2)F 62a_100000737910_100014833993 [1,1,0,0,0,0|0,2,0]=4 782 B17R2.83661 Nc1cc(c(c(c1)Cl)SCC2=NCCN2)F 62a_100014833993_100000737910 [1,1,0,0,0,0|0,2,0]=4 783 B17R2.83661 Nc1cc(c(c(c1)F)OCC2=NCCN2)F 34a_100016987357_100000737910 [1,1,0,0,0,0|0,2,0]=4 784 B17R2.83661 Nc1cc(c(c(c1)F)OCC2=NCCN2)F 7a_100016987357_100000737910 [1,1,0,0,0,0|0,2,0]=4 785 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)Br)Br 34a_100010781877_100000737910 [1,1,0,0,0,0|1,1,0]=4 786 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)Br)Br 7a_100010781877_100000737910 [1,1,0,0,0,0|1,1,0]=4 787 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)Br)Cl 34a_106741647128_100000737910 [1,1,0,0,0,0|1,1,0]=4 788 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)Br)Cl 7a_106741647128_100000737910 [1,1,0,0,0,0|1,1,0]=4 789 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)Br)F 34a_200011217456_100000737910 [1,1,0,0,0,0|1,1,0]=4 790 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)Br)F 7a_200011217456_100000737910 [1,1,0,0,0,0|1,1,0]=4 791 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)Cl)Br 34a_100000694353_100000737910 [1,1,0,0,0,0|1,0,0]=3 792 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)Cl)Br 7a_100000694353_100000737910 [1,1,0,0,0,0|1,0,0]=3 793 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)Cl)Cl 34a_100000695819_100000737910 [1,1,0,0,0,0|1,0,0]=3 794 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)Cl)Cl 7a_100000695819_100000737910 [1,1,0,0,0,0|1,0,0]=3 795 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)F)Br 34a_100011217383_100000737910 [1,1,0,0,0,0|1,1,0]=4 796 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)F)Br 7a_100011217383_100000737910 [1,1,0,0,0,0|1,1,0]=4 797 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)F)F 34a_100015205836_100000737910 [1,1,0,0,0,0|1,1,0]=4 798 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)F)F 7a_100015205836_100000737910 [1,1,0,0,0,0|1,1,0]=4 799 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)I)Br 7a_100016071998_100000737910 [1,1,0,0,0,0|1,1,0]=4 800 B17R2.146246 O=c1[nH]nc([nH]1)COc2c(cccc2Cl)Cl 7a_100000211709_100000754189 [1,1,0,0,0,0|1,0,1]=4 801 B17R2.276976 Cc1c(ccc(c1NCC2=NCCN2)Cl)Cl 34a_100009961198_100000737910 [1,1,0,0,0,0|2,0,0]=4 802 B17R2.276976 Cc1c(ccc(c1OCC2=NCCN2)Br)Cl 34a_200010391122_100000737910 [1,1,0,0,0,0|1,1,0]=4 803 B17R2.276976 Cc1c(ccc(c1OCC2=NCCN2)Br)Cl 7a_200010391122_100000737910 [1,1,0,0,0,0|1,1,0]=4 804 B17R2.276976 Cc1c(ccc(c1OCC2=NCCN2)Br)F 34a_200010391124_100000737910 [1,1,0,0,0,0|1,1,0]=4 805 B17R2.276976 Cc1c(ccc(c1OCC2=NCCN2)Br)F 7a_200010391124_100000737910 [1,1,0,0,0,0|1,1,0]=4 806 B17R2.276976 Cc1ccc(c(c1Br)OCC2=NCCN2)F 34a_200010223207_100000737910 [1,1,0,0,0,0|0,2,0]=4 807 B17R2.276976 Cc1ccc(c(c1Br)OCC2=NCCN2)F 7a_200010223207_100000737910 [1,1,0,0,0,0|0,2,0]=4 808 B17R2.276976 Cc1ccc(c(c1C)OCC2=NCCN2)C 34a_100000211305_100000737910 [1,1,0,0,0,0|2,0,0]=4 809 B17R2.276976 Cc1ccc(c(c1C)OCC2=NCCN2)C 7a_100000211305_100000737910 [1,1,0,0,0,0|2,0,0]=4 810 B17R2.276976 Cc1ccc(c(c1Cl)NCC2=NCCN2)Cl 34a_100000210993_100000737910 [1,1,0,0,0,0|1,0,0]=3 811 B17R2.276976 Cc1ccc(c(c1Cl)NCC2=NCCN2)F 34a_106744479701_100000737910 [1,1,0,0,0,0|1,1,0]=4 812 B17R2.276976 Cc1ccc(c(c1Cl)OCC2=NCCN2)Cl 34a_200000087117_100000737910 [1,1,0,0,0,0|0,0,0]=2 813 B17R2.276976 Cc1ccc(c(c1Cl)OCC2=NCCN2)Cl 7a_200000087117_100000737910 [1,1,0,0,0,0|0,0,0]=2 814 B17R2.276976 Cc1ccc(c(c1Cl)OCC2=NCCN2)F 34a_100000035349_100000737910 [1,1,0,0,0,0|0,1,0]=3 815 B17R2.276976 Cc1ccc(c(c1Cl)OCC2=NCCN2)F 7a_100000035349_100000737910 [1,1,0,0,0,0|0,1,0]=3 816 B17R2.276976 Cc1ccc(c(c1Cl)OCc2ncc[nH]2)Cl 34a_200000087117_100016991755 [1,1,0,0,0,0|0,0,2]=4 817 B17R2.276976 Cc1ccc(c(c1Cl)OCc2ncc[nH]2)Cl 7a_200000087117_100000753453 [1,1,0,0,0,0|0,0,2]=4 818 B17R2.276976 Cc1ccc(c(c1Cl)OCc2nnn[nH]2)Cl 34a_200000087117_100000765167 [1,1,0,0,0,0|2,0,0]=4 819 B17R2.276976 Cc1ccc(c(c1Cl)OCc2nnn[nH]2)Cl 7a_200000087117_100000765167 [1,1,0,0,0,0|2,0,0]=4 820 B17R2.276976 Cc1ccc(c(c1F)NCC2=NCCN2)Cl 34a_100000062009_100000737910 [1,1,0,0,0,0|1,1,0]=4 821 B17R2.276976 Cc1ccc(c(c1F)OCC2=NCCN2)Br 34a_100000722096_100000737910 [1,1,0,0,0,0|0,2,0]=4 822 B17R2.276976 Cc1ccc(c(c1F)OCC2=NCCN2)Br 7a_100000722096_100000737910 [1,1,0,0,0,0|0,2,0]=4 823 B17R2.276976 Cc1ccc(c(c1F)OCC2=NCCN2)Cl 34a_200000034537_100000737910 [1,1,0,0,0,0|0,1,0]=3 824 B17R2.276976 Cc1ccc(c(c1F)OCC2=NCCN2)Cl 7a_200000034537_100000737910 [1,1,0,0,0,0|0,1,0]=3 825 B17R2.276976 Cc1ccc(c(c1F)OCC2=NCCN2)F 34a_100011216644_100000737910 [1,1,0,0,0,0|0,2,0]=4 826 B17R2.276976 Cc1ccc(c(c1F)OCC2=NCCN2)F 7a_100011216644_100000737910 [1,1,0,0,0,0|0,2,0]=4 827 B17R2.276976 Cc1ccc(c(c1OCC2=NCCN2)Cl)N 34a_100000036876_100000737910 [1,1,0,0,0,0|1,0,0]=3 828 B17R2.276976 Cc1ccc(c(c1OCC2=NCCN2)Cl)N 7a_100000036876_100000737910 [1,1,0,0,0,0|1,0,0]=3 829 B17R2.276976 Clc1ccc(c(c1Cl)NCC2=NCCN2)Cl 34a_103437851083_100000737910 [1,1,0,0,0,0|1,0,0]=3 830 B17R2.276976 Clc1ccc(c(c1Cl)OCC2=NCCN2)Cl 34a_100000042553_100000737910 [1,1,0,0,0,0|0,0,0]=2 831 B17R2.276976 Clc1ccc(c(c1Cl)OCC2=NCCN2)Cl 7a_100000042553_100000737910 [1,1,0,0,0,0|0,0,0]=2 832 B17R2.276976 Clc1ccc(c(c1Cl)OCc2ncc[nH]2)Cl 34a_100000042553_100016991755 [1,1,0,0,0,0|0,0,2]=4 833 B17R2.276976 Clc1ccc(c(c1Cl)OCc2ncc[nH]2)Cl 7a_100000042553_100000753453 [1,1,0,0,0,0|0,0,2]=4 834 B17R2.276976 Clc1ccc(c(c1Cl)OCc2nnn[nH]2)Cl 34a_100000042553_100000765167 [1,1,0,0,0,0|2,0,0]=4 835 B17R2.276976 Clc1ccc(c(c1Cl)OCc2nnn[nH]2)Cl 7a_100000042553_100000765167 [1,1,0,0,0,0|2,0,0]=4 836 B17R2.276976 Clc1ccc(c(c1Cl)SCC2=NCCN2)Cl 62a_100000737910_200010170825 [1,1,0,0,0,0|0,1,0]=3 837 B17R2.276976 Clc1ccc(c(c1Cl)SCC2=NCCN2)Cl 62a_200010170825_100000737910 [1,1,0,0,0,0|0,1,0]=3 838 B17R2.276976 Clc1ccc(c(c1OCC2=NCCN2)Cl)Br 34a_100010089855_100000737910 [1,1,0,0,0,0|0,0,0]=2 839 B17R2.276976 Clc1ccc(c(c1OCC2=NCCN2)Cl)Br 7a_100010089855_100000737910 [1,1,0,0,0,0|0,0,0]=2 840 B17R2.276976 Clc1ccc(c(c1OCc2ncc[nH]2)Cl)Br 34a_100010089855_100016991755 [1,1,0,0,0,0|0,0,2]=4 841 B17R2.276976 Clc1ccc(c(c1OCc2ncc[nH]2)Cl)Br 7a_100010089855_100000753453 [1,1,0,0,0,0|0,0,2]=4 842 B17R2.276976 Clc1ccc(c(c1OCc2nnn[nH]2)Cl)Br 34a_100010089855_100000765167 [1,1,0,0,0,0|2,0,0]=4 843 B17R2.276976 Clc1ccc(c(c1OCc2nnn[nH]2)Cl)Br 7a_100010089855_100000765167 [1,1,0,0,0,0|2,0,0]=4 844 B17R2.276976 Fc1c(ccc(c1NCC2=NCCN2)Cl)Br 34a_100010995236_100000737910 [1,1,0,0,0,0|1,1,0]=4 845 B17R2.276976 Fc1c(ccc(c1NCC2=NCCN2)Cl)Cl 34a_200000061452_100000737910 [1,1,0,0,0,0|1,1,0]=4 846 B17R2.276976 Fc1c(ccc(c1OCC2=NCCN2)Br)Cl 34a_100010081130_100000737910 [1,1,0,0,0,0|0,2,0]=4 847 B17R2.276976 Fc1c(ccc(c1OCC2=NCCN2)Br)Cl 7a_100010081130_100000737910 [1,1,0,0,0,0|0,2,0]=4 848 B17R2.276976 Fc1c(ccc(c1OCC2=NCCN2)Br)I 34a_200010782288_100000737910 [1,1,0,0,0,0|0,2,0]=4 849 B17R2.276976 Fc1c(ccc(c1OCC2=NCCN2)Br)I 7a_200010782288_100000737910 [1,1,0,0,0,0|0,2,0]=4 850 B17R2.276976 Fc1c(ccc(c1OCC2=NCCN2)Cl)Br 34a_100010240321_100000737910 [1,1,0,0,0,0|0,1,0]=3 851 B17R2.276976 Fc1c(ccc(c1OCC2=NCCN2)Cl)Br 7a_100010240321_100000737910 [1,1,0,0,0,0|0,1,0]=3 852 B17R2.276976 Fc1c(ccc(c1SCC2=NCCN2)Cl)Br 62a_100000737910_100011092007 [1,1,0,0,0,0|0,2,0]=4 853 B17R2.276976 Fc1c(ccc(c1SCC2=NCCN2)Cl)Br 62a_100011092007_100000737910 [1,1,0,0,0,0|0,2,0]=4 854 B17R2.276976 Fc1ccc(c(c1Br)OCC2=NCCN2)F 34a_100010170822_100000737910 [1,1,0,0,0,0|0,2,0]=4 855 B17R2.276976 Fc1ccc(c(c1Br)OCC2=NCCN2)F 7a_100010170822_100000737910 [1,1,0,0,0,0|0,2,0]=4 856 B17R2.276976 Fc1ccc(c(c1Cl)NCC2=NCCN2)F 34a_100000062006_100000737910 [1,1,0,0,0,0|1,1,0]=4 857 B17R2.276976 Fc1ccc(c(c1Cl)OCC2=NCCN2)Br 34a_100014979575_100000737910 [1,1,0,0,0,0|0,1,0]=3 858 B17R2.276976 Fc1ccc(c(c1Cl)OCC2=NCCN2)Br 7a_100014979575_100000737910 [1,1,0,0,0,0|0,1,0]=3 859 B17R2.276976 Fc1ccc(c(c1Cl)OCC2=NCCN2)F 34a_100000038336_100000737910 [1,1,0,0,0,0|0,1,0]=3 860 B17R2.276976 Fc1ccc(c(c1Cl)OCC2=NCCN2)F 7a_100000038336_100000737910 [1,1,0,0,0,0|0,1,0]=3 861 B17R2.276976 Fc1ccc(c(c1Cl)SCC2=NCCN2)Br 62a_100000737910_200037249116 [1,1,0,0,0,0|0,2,0]=4 862 B17R2.276976 Fc1ccc(c(c1Cl)SCC2=NCCN2)Br 62a_200037249116_100000737910 [1,1,0,0,0,0|0,2,0]=4 863 B17R2.276976 Fc1ccc(c(c1Cl)SCC2=NCCN2)F 62a_100000737910_100010167948 [1,1,0,0,0,0|0,2,0]=4 864 B17R2.276976 Fc1ccc(c(c1Cl)SCC2=NCCN2)F 62a_100010167948_100000737910 [1,1,0,0,0,0|0,2,0]=4 865 B17R2.276976 Fc1ccc(c(c1F)NCC2=NCCN2)Cl 34a_200010381624_100000737910 [1,1,0,0,0,0|1,1,0]=4 866 B17R2.276976 Fc1ccc(c(c1F)OCC2=NCCN2)Br 34a_100010243909_100000737910 [1,1,0,0,0,0|0,2,0]=4 867 B17R2.276976 Fc1ccc(c(c1F)OCC2=NCCN2)Br 7a_100010243909_100000737910 [1,1,0,0,0,0|0,2,0]=4 868 B17R2.276976 Fc1ccc(c(c1F)OCC2=NCCN2)F 34a_100000031686_100000737910 [1,1,0,0,0,0|0,2,0]=4 869 B17R2.276976 Fc1ccc(c(c1F)OCC2=NCCN2)F 7a_100000031686_100000737910 [1,1,0,0,0,0|0,2,0]=4 870 B17R2.276976 Fc1ccc(c(c1NCC2=NCCN2)Cl)Cl 34a_100000061523_100000737910 [1,1,0,0,0,0|1,1,0]=4 871 B17R2.276976 Fc1ccc(c(c1OCC2=NCCN2)Cl)Cl 34a_100000062035_100000737910 [1,1,0,0,0,0|0,1,0]=3 872 B17R2.276976 Fc1ccc(c(c1OCC2=NCCN2)Cl)Cl 7a_100000062035_100000737910 [1,1,0,0,0,0|0,1,0]=3 873 B17R2.276976 Fc1ccc(c(c1OCC2=NCCN2)F)Br 34a_100010167067_100000737910 [1,1,0,0,0,0|0,2,0]=4 874 B17R2.276976 Fc1ccc(c(c1OCC2=NCCN2)F)Br 7a_100010167067_100000737910 [1,1,0,0,0,0|0,2,0]=4 875 B17R2.276976 Fc1ccc(c(c1OCC2=NCCN2)F)Cl 34a_100000034634_100000737910 [1,1,0,0,0,0|0,2,0]=4 876 B17R2.276976 Fc1ccc(c(c1OCC2=NCCN2)F)Cl 7a_100000034634_100000737910 [1,1,0,0,0,0|0,2,0]=4 877 B17R2.276976 Fc1ccc(c(c1SCC2=NCCN2)Cl)Cl 62a_100000737910_200015697950 [1,1,0,0,0,0|0,2,0]=4 878 B17R2.276976 Fc1ccc(c(c1SCC2=NCCN2)Cl)Cl 62a_200015697950_100000737910 [1,1,0,0,0,0|0,2,0]=4 879 B17R2.276976 Fc1ncc(c(c1Cl)SCC2=NCCN2)Cl 62a_100000737910_100010116697 [1,1,0,0,0,0|1,1,0]=4 880 B17R2.276976 Fc1ncc(c(c1Cl)SCC2=NCCN2)Cl 62a_100010116697_100000737910 [1,1,0,0,0,0|1,1,0]=4 881 B17R2.276976 Nc1ccc(c(c1OCC2=NCCN2)Br)F 34a_100010128263_100000737910 [1,1,0,0,0,0|1,1,0]=4 882 B17R2.276976 Nc1ccc(c(c1OCC2=NCCN2)Br)F 7a_100010128263_100000737910 [1,1,0,0,0,0|1,1,0]=4 883 B17R2.276976 Nc1ccc(c(c1OCC2=NCCN2)F)F 34a_100015205010_100000737910 [1,1,0,0,0,0|1,1,0]=4 884 B17R2.276976 Nc1ccc(c(c1OCC2=NCCN2)F)F 7a_100015205010_100000737910 [1,1,0,0,0,0|1,1,0]=4 885 B17R2.276976 Nc1ccc(c(c1SCC2=NCCN2)Cl)Br 62a_100000737910_200010779962 [1,1,0,0,0,0|1,1,0]=4 886 B17R2.276976 Nc1ccc(c(c1SCC2=NCCN2)Cl)Br 62a_200010779962_100000737910 [1,1,0,0,0,0|1,1,0]=4 887 B17R2.276976 Nc1ccc(c(c1SCC2=NCCN2)Cl)Cl 62a_100000737910_200011093878 [1,1,0,0,0,0|1,1,0]=4 888 B17R2.276976 Nc1ccc(c(c1SCC2=NCCN2)Cl)Cl 62a_200011093878_100000737910 [1,1,0,0,0,0|1,1,0]=4 889 B17R2.276976 Oc1ccc(c(c1Cl)NCC2=NCCN2)Cl 34a_100016988457_100000737910 [1,1,0,0,0,0|1,0,0]=3 890 B17R2.276976 Oc1ccc(c(c1Cl)NCC2=NCCN2)Cl 7a_100016988457_100000737910 [1,1,0,0,0,0|1,0,0]=3 891 B19R2.101344 CC(C)(OCc1c(cccc1Cl)Cl)[C@H]2CCCN2 34a_100020587339_100000187851 [0,1,0,0,0,1|1,0,1]=4 892 B19R2.512424 C[C@H](OCc1c(cccc1Cl)Cl)[C@@H]2CCCN2C 34a_100160487421_100000187851 [0,1,0,0,0,1|1,0,1]=4 893 B17R2.24116 CC1CC(C(=O)O1)Oc2c(cccc2Cl)Cl 34a_100000211709_200000216747 [0,0,1,1,0,0|2,0,0]=4 894 B17R2.24116 CC1CC(C(=O)O1)Oc2c(cccc2Cl)Cl 7a_100000211709_200000216747 [0,0,1,1,0,0|2,0,0]=4 895 B17R2.24354 Cc1cccc(c1OC2CCCNC2=O)Cl 34a_100000033731_100000687798 [0,0,1,1,0,0|2,0,0]=4 896 B17R2.24354 Cc1cccc(c1OC2CCCNC2=O)Cl 7a_100000033731_100000687798 [0,0,1,1,0,0|2,0,0]=4 897 B17R2.24354 Nc1cccc(c1OC2CCCNC2=O)Cl 34a_100000754742_100000687798 [0,0,1,1,0,0|2,0,0]=4 898 B17R2.24354 O=C1CCCCC1Oc2c(cccc2Cl)Cl 34a_100000211709_100000754470 [0,0,1,1,0,0|2,0,0]=4 899 B17R2.24354 O=C1CCCCC1Oc2c(cccc2Cl)Cl 7a_100000211709_100000204591 [0,0,1,1,0,0|2,0,0]=4 900 B17R2.24354 O=C1NCCCC1Nc2c(cccc2Cl)Cl 34a_100000210028_100000687798 [0,0,1,1,0,0|2,0,0]=4 901 B17R2.24354 O=C1NCCCC1Oc2c(cccc2Br)Cl 34a_100010214474_100000687798 [0,0,1,1,0,0|1,1,0]=4 902 B17R2.24354 O=C1NCCCC1Oc2c(cccc2Br)Cl 7a_100010214474_100000687798 [0,0,1,1,0,0|1,1,0]=4 903 B17R2.24354 O=C1NCCCC1Oc2c(cccc2Cl)Cl 34a_100000211709_100000687798 [0,0,1,1,0,0|1,0,0]=3 904 B17R2.24354 O=C1NCCCC1Oc2c(cccc2Cl)Cl 7a_100000211709_100000687798 [0,0,1,1,0,0|1,0,0]=3 905 B17R2.24354 O=C1NCCCC1Oc2c(cccc2Cl)F 34a_100000694953_100000687798 [0,0,1,1,0,0|1,1,0]=4 906 B17R2.24354 O=C1NCCCC1Oc2c(cccc2Cl)F 7a_100000694953_100000687798 [0,0,1,1,0,0|1,1,0]=4 907 B17R2.24354 O=C1NCCCC1Oc2c(cccc2I)Cl 34a_100010202889_100000687798 [0,0,1,1,0,0|1,1,0]=4 908 B17R2.24354 O=C1NCCCC1Oc2c(cccc2I)Cl 7a_100010202889_100000687798 [0,0,1,1,0,0|1,1,0]=4 909 B17R2.24354 O=C1NCCCC1Oc2c(ccnc2Cl)Cl 34a_100000118450_100000687798 [0,0,1,1,0,0|2,0,0]=4 910 B17R2.24354 O=C1NCCCC1Oc2c(ccnc2Cl)Cl 7a_100000118450_100000687798 [0,0,1,1,0,0|2,0,0]=4 911 B17R2.24354 O=C1NCCCC1Sc2c(cccc2Cl)Cl 62a_100000034237_100000687798 [0,0,1,1,0,0|1,1,0]=4 912 B17R2.24354 O=C1NCCCC1Sc2c(cccc2Cl)Cl 62a_100000687798_100000034237 [0,0,1,1,0,0|1,1,0]=4 913 B15R1.51699 CCNC(=O)N(C)c1c(cccc1Cl)Cl 512a_100015525214_100000691019 [0,0,1,0,1,0|2,0,0]=4 914 B15R2.8669 Clc1cccc(c1OCC2CCC2)Cl 34a_100000211709_100000763275 [1,0,0,0,1,0|1,0,1]=4 915 B15R2.8669 Clc1cccc(c1OCC2CCC2)Cl 7a_100000211709_100000763275 [1,0,0,0,1,0|1,0,1]=4 916 B15R2.8669 Clc1cccc(c1OCC2CCO2)Cl 34a_100000211709_100000103362 [1,0,0,0,1,0|1,0,1]=4 917 B15R2.8669 Clc1cccc(c1OCC2CCO2)Cl 7a_100000211709_100000103362 [1,0,0,0,1,0|1,0,1]=4 918 B17R1.207239 CCNC(=O)C(C)NCc1c(cccc1Cl)Cl 2230a_100000174884_100000230173 [0,0,1,0,0,1|2,0,0]=4 919 B17R1.207239 CCNC(=O)C(C)NCc1c(cccc1Cl)Cl 2230a_100000736553_100000187851 [0,0,1,0,0,1|2,0,0]=4 920 B17R1.207239 CCNC(=O)C(C)NCc1c(cccc1Cl)Cl 270004a_100000736553_100000189306 [0,0,1,0,0,1|2,0,0]=4 921 B17R1.207239 CCNC(=O)C(C)NCc1c(cccc1Cl)Cl 34a_100000174884_100000230173 [0,0,1,0,0,1|2,0,0]=4 922 B17R1.207239 CCNC(=O)C(C)NCc1c(cccc1Cl)Cl 34a_100000736553_100000187851 [0,0,1,0,0,1|2,0,0]=4 923 B17R1.207239 CCNC(=O)C(C)OCc1c(cccc1Cl)C 34a_100000082531_100000230173 [0,0,1,0,0,1|2,0,0]=4 924 B17R1.207239 CCNC(=O)C(C)OCc1c(cccc1Cl)C 7a_100000082531_100000230173 [0,0,1,0,0,1|2,0,0]=4 925 B17R1.207239 CCNC(=O)C(C)OCc1c(cccc1Cl)Cl 34a_100000215722_100000230173 [0,0,1,0,0,1|1,0,0]=3 926 B17R1.207239 CCNC(=O)C(C)OCc1c(cccc1Cl)Cl 7a_100000215722_100000230173 [0,0,1,0,0,1|1,0,0]=3 927 B17R1.207239 CCNC(=O)C(C)OCc1c(cccc1Cl)F 34a_100000215723_100000230173 [0,0,1,0,0,1|1,1,0]=4 928 B17R1.207239 CCNC(=O)C(C)OCc1c(cccc1Cl)F 7a_100000215723_100000230173 [0,0,1,0,0,1|1,1,0]=4 929 B17R1.207239 CCNC(=O)C(C)OCc1c(cccc1Cl)N 34a_100011916388_100000230173 [0,0,1,0,0,1|2,0,0]=4 930 B17R1.207239 CCNC(=O)C(C)OCc1c(ccnc1Cl)Cl 34a_200009882739_100000230173 [0,0,1,0,0,1|2,0,0]=4 931 B17R1.207239 CCNC(=O)C(C)OCc1c(ccnc1Cl)Cl 7a_200009882739_100000230173 [0,0,1,0,0,1|2,0,0]=4 932 B17R1.207239 CCNC(=O)C(C)SCc1c(cccc1Cl)Cl 62a_100000187851_100000230173 [0,0,1,0,0,1|1,1,0]=4 933 B17R1.207239 CCNC(=O)C(C)SCc1c(cccc1Cl)Cl 62a_100000230173_100000187851 [0,0,1,0,0,1|1,1,0]=4 934 B17R1.207239 CCOC(=O)C(C)OCc1c(cccc1Cl)Cl 34a_100000215722_100011216346 [0,0,1,0,0,1|2,0,0]=4 935 B17R1.207239 CCOC(=O)C(C)OCc1c(cccc1Cl)Cl 7a_100000215722_100011216346 [0,0,1,0,0,1|2,0,0]=4 936 B17R1.207239 CCOC(=O)[C@H](C)OCc1c(cccc1Cl)Cl 7a_100000751109_100000187851 [0,0,1,0,0,1|2,0,0]=4 937 B17R2.3431 CN(CC1=NCCN1)Cc2ccccc2Cl 269982a_100000184507_100000737910 [1,0,0,0,0,1|2,0,0]=4 938 B17R2.41802 Brc1cccc(c1COCC2=NCCN2)Br 34a_100010172814_100000737910 [1,0,0,0,0,1|0,2,0]=4 939 B17R2.41802 Brc1cccc(c1COCC2=NCCN2)Br 7a_100010172814_100000737910 [1,0,0,0,0,1|0,2,0]=4 940 B17R2.41802 Cc1cccc(c1COCC2=NCCN2)C 34a_100011933981_100000737910 [1,0,0,0,0,1|2,0,0]=4 941 B17R2.41802 Cc1cccc(c1COCC2=NCCN2)C 7a_100011933981_100000737910 [1,0,0,0,0,1|2,0,0]=4 942 B17R2.41802 Cc1cccc(c1COCC2=NCCN2)Cl 34a_100000082531_100000737910 [1,0,0,0,0,1|1,0,0]=3 943 B17R2.41802 Cc1cccc(c1COCC2=NCCN2)Cl 7a_100000082531_100000737910 [1,0,0,0,0,1|1,0,0]=3 944 B17R2.41802 Cc1cccc(c1COCC2=NCCN2)F 34a_100000057874_100000737910 [1,0,0,0,0,1|1,1,0]=4 945 B17R2.41802 Cc1cccc(c1COCC2=NCCN2)F 7a_100000057874_100000737910 [1,0,0,0,0,1|1,1,0]=4 946 B17R2.41802 Clc1cccc(c1CNCC2=NCCN2)Cl 34a_100000174884_100000737910 [1,0,0,0,0,1|1,0,0]=3 947 B17R2.41802 Clc1cccc(c1COCC2=NCCN2)Cl 34a_100000215722_100000737910 [1,0,0,0,0,1|0,0,0]=2 948 B17R2.41802 Clc1cccc(c1COCC2=NCCN2)Cl 7a_100000215722_100000737910 [1,0,0,0,0,1|0,0,0]=2 949 B17R2.41802 Clc1cccc(c1COC[C@H]2CCCN2)Cl 34a_100000745186_100000187851 [1,0,0,0,0,1|1,0,1]=4 950 B17R2.41802 Clc1cccc(c1COCc2ncc[nH]2)Cl 34a_100000215722_100016991755 [1,0,0,0,0,1|0,0,2]=4 951 B17R2.41802 Clc1cccc(c1COCc2ncc[nH]2)Cl 7a_100000215722_100000753453 [1,0,0,0,0,1|0,0,2]=4 952 B17R2.41802 Clc1cccc(c1COCc2nnn[nH]2)Cl 34a_100000215722_100000765167 [1,0,0,0,0,1|2,0,0]=4 953 B17R2.41802 Clc1cccc(c1COCc2nnn[nH]2)Cl 7a_100000215722_100000765167 [1,0,0,0,0,1|2,0,0]=4 954 B17R2.41802 Clc1cccc(c1CSCC2=NCCN2)Br 62a_100000737910_100010138402 [1,0,0,0,0,1|0,2,0]=4 955 B17R2.41802 Clc1cccc(c1CSCC2=NCCN2)Br 62a_100010138402_100000737910 [1,0,0,0,0,1|0,2,0]=4 956 B17R2.41802 Clc1cccc(c1CSCC2=NCCN2)Cl 62a_100000187851_100000737910 [1,0,0,0,0,1|0,1,0]=3 957 B17R2.41802 Clc1cccc(c1CSCC2=NCCN2)Cl 62a_100000737910_100000187851 [1,0,0,0,0,1|0,1,0]=3 958 B17R2.41802 Clc1cccc(c1OCCc2nnn[nH]2)Cl 7a_100000211709_100000031946 [1,0,0,0,0,1|2,0,0]=4 959 B17R2.41802 Clc1ccnc(c1COCC2=NCCN2)Cl 34a_200009882739_100000737910 [1,0,0,0,0,1|1,0,0]=3 960 B17R2.41802 Clc1ccnc(c1COCC2=NCCN2)Cl 7a_200009882739_100000737910 [1,0,0,0,0,1|1,0,0]=3 961 B17R2.41802 Clc1cncc(c1CSCC2=NCCN2)Cl 62a_100000737910_200009872113 [1,0,0,0,0,1|1,1,0]=4 962 B17R2.41802 Clc1cncc(c1CSCC2=NCCN2)Cl 62a_200009872113_100000737910 [1,0,0,0,0,1|1,1,0]=4 963 B17R2.41802 Clc1nccc(c1COCC2=NCCN2)I 7a_100000047008_100000737910 [1,0,0,0,0,1|1,1,0]=4 964 B17R2.41802 Fc1cccc(c1CNCC2=NCCN2)Cl 34a_100000174883_100000737910 [1,0,0,0,0,1|1,1,0]=4 965 B17R2.41802 Fc1cccc(c1COCC2=NCCN2)Br 34a_100012355691_100000737910 [1,0,0,0,0,1|0,2,0]=4 966 B17R2.41802 Fc1cccc(c1COCC2=NCCN2)Br 7a_100012355691_100000737910 [1,0,0,0,0,1|0,2,0]=4 967 B17R2.41802 Fc1cccc(c1COCC2=NCCN2)Cl 34a_100000215723_100000737910 [1,0,0,0,0,1|0,1,0]=3 968 B17R2.41802 Fc1cccc(c1COCC2=NCCN2)Cl 7a_100000215723_100000737910 [1,0,0,0,0,1|0,1,0]=3 969 B17R2.41802 Fc1cccc(c1COCC2=NCCN2)F 34a_100000698215_100000737910 [1,0,0,0,0,1|0,2,0]=4 970 B17R2.41802 Fc1cccc(c1COCC2=NCCN2)F 7a_100000698215_100000737910 [1,0,0,0,0,1|0,2,0]=4 971 B17R2.41802 Fc1cccc(c1COCC2=NCCN2)I 34a_100010214973_100000737910 [1,0,0,0,0,1|0,2,0]=4 972 B17R2.41802 Fc1cccc(c1COCC2=NCCN2)I 7a_100010214973_100000737910 [1,0,0,0,0,1|0,2,0]=4 973 B17R2.41802 Fc1cccc(c1CSCC2=NCCN2)Cl 62a_100000187852_100000737910 [1,0,0,0,0,1|0,2,0]=4 974 B17R2.41802 Fc1cccc(c1CSCC2=NCCN2)Cl 62a_100000737910_100000187852 [1,0,0,0,0,1|0,2,0]=4 975 B17R2.41802 Nc1cccc(c1COCC2=NCCN2)Br 34a_100000747656_100000737910 [1,0,0,0,0,1|1,1,0]=4 976 B17R2.41802 Nc1cccc(c1COCC2=NCCN2)Cl 34a_100011916388_100000737910 [1,0,0,0,0,1|1,0,0]=3 977 B17R2.41802 Nc1cccc(c1COCC2=NCCN2)F 34a_100011846719_100000737910 [1,0,0,0,0,1|1,1,0]=4 978 B17R2.41848 CC(OCc1c(cccc1Cl)Cl)C2CCC2 34a_100000766398_100000187851 [0,0,0,0,1,1|1,0,1]=4 979 B17R2.41848 CC(OCc1c(cccc1Cl)Cl)C2CCC2 7a_100000766398_100000187851 [0,0,0,0,1,1|1,0,1]=4 980 B19R2.7678 CC(OCc1c(cccc1Cl)Cl)C2CCCNC2 34a_100000740858_100000187851 [0,0,0,0,0,2|1,0,1]=4