0 B12R1.891 FC(F)(F)CCC1=CC=CC=C1 PC7820ET [0,0,0,0,0,0|3,0,0]=3 1 B12R1.891 FC(F)(F)COC1=CC=CC=C1 PC6627 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.91 CC(C)NCC1=CC=CN=C1 OR470956 [1,0,0,0,0,0|2,0,0]=3 3 B11R1.91 CC(C)NCC1=CC=NC=C1 OR470957 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 OR304057 [1,0,0,0,0,0|0,0,0]=1 5 B11R1.91 FC(F)COC1=CC=CC=C1 PC450195 [1,0,0,0,0,0|3,0,0]=4 6 B13R1.157 C[N+]1=CC=CC=C1CC[N+](C)(C)C OR21148 [0,1,0,0,0,0|3,0,0]=4 7 B13R1.254 CC(C)(C#N)NCC1=CC=CC=C1 OR303996 [0,1,0,0,0,0|2,0,0]=3 8 B13R1.254 CC(C)(C#N)NCC1=CC=CC=C1 OR310062 [0,1,0,0,0,0|2,0,0]=3 9 B13R1.254 CC(C)(CN)NCC1=CC=CC=C1 OR310144 [0,1,0,0,0,0|2,0,0]=3 10 B13R1.353 CC(C)(C)\[N+]([O-])=C\C1=CC=CC=C1 OR24594 [0,1,0,0,0,0|2,0,1]=4 11 B13R1.353 NC(CC1=CC=CC=C1)C(F)(F)F PC2179 [0,1,0,0,0,0|3,0,0]=4 12 B13R1.353 OC(CC1=CC=CC=C1)C(F)(F)F PC32389 [0,1,0,0,0,0|3,0,0]=4 13 B13R1.512 FC(F)(F)CCC1=CC=C(Br)C=C1 PC520619 [0,1,0,0,0,0|3,0,0]=4 14 B13R1.838 FC(F)(F)CCC1=CC(Br)=CC=C1 PC520644 [0,1,0,0,0,0|3,0,0]=4 15 B13R2.222 CC1(C)NC2=CC=CC=C2CO1 OR346192 [0,0,0,1,0,0|2,0,0]=3 16 B11R1.509 CC(C)(C)CC1=CC=CC=C1 OR28909 [0,0,0,0,1,0|1,0,0]=2 17 B11R1.509 CC(C)(C)OC1=CC=CN=C1 OR321024 [0,0,0,0,1,0|3,0,0]=4 18 B11R1.509 CC(C)(C)OC1=NC=CC=C1 OR302217 [0,0,0,0,1,0|3,0,0]=4 19 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 PC2180 [0,0,0,0,1,0|2,0,0]=3 20 B11R1.509 FC(F)(F)CC1=CC=CC=C1 PC49584 [0,0,0,0,1,0|3,0,0]=4 21 B13R1.3523 C[Si](C)(C)CNCC1=CC=CC=C1 OR315257 [0,0,0,0,0,1|1,1,0]=3 22 B13R1.3523 FC(F)(F)CCCC1=CC=CC=C1 PC4337 [0,0,0,0,0,1|3,0,0]=4 23 B13R1.3523 FC(F)(F)CSCC1=CC=CC=C1 PC3722 [0,0,0,0,0,1|3,0,0]=4 24 B10R1.17 BrCCSC1=CC=CC=C1 OR322375 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.17 CCNCC1=CC=CC=N1 OR315116 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.17 CCNCC1=CC=CN=C1 OR318059 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.17 CCNCC1=CC=NC=C1 OR315114 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.17 CNCCC1=CN=CC=C1 OR12532 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.17 NCCCC1=CC=NC=C1 OR303785 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.17 OCCCC1=CC=CN=C1 OR303919 [2,0,0,0,0,0|1,0,0]=3 31 B10R1.17 OCCCC1=CC=NC=C1 OR350323 [2,0,0,0,0,0|1,0,0]=3 32 B10R1.17 SCCCC1=CC=CN=C1 OR305417 [2,0,0,0,0,0|1,1,0]=4 33 B10R1.17 SCCCC1=CC=NC=C1 OR305416 [2,0,0,0,0,0|1,1,0]=4 34 B10R1.17 SCCCC1=NC=CC=C1 OR305418 [2,0,0,0,0,0|1,1,0]=4 35 B12R1.21 CC(O)CCC1=CC=C(Br)C=C1 OR200157 [1,1,0,0,0,0|0,0,0]=2 36 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 PC4174G [1,1,0,0,0,0|1,0,1]=4 37 B12R1.27 NCC(O)COC1=CC=CC=C1 OR322020 [1,1,0,0,0,0|1,0,0]=3 38 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O OR1961 [1,1,0,0,0,0|1,0,1]=4 39 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 OR322015 [1,1,0,0,0,0|1,0,1]=4 40 B12R1.107 CC(C)CC(N)C1=CC=CN=C1 OR470279 [1,1,0,0,0,0|1,0,0]=3 41 B12R1.107 CC(C)CC(N)C1=CC=NC=C1 OR470278 [1,1,0,0,0,0|1,0,0]=3 42 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 PC0503 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 BICR106 [1,1,0,0,0,0|1,0,1]=4 44 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 OR10089 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.125 O=C(O)CCC1=CC=CC=C1F PC0312 [1,1,0,0,0,0|1,0,1]=4 46 B12R1.125 O=C(O)CCC1=CC=CC=C1O OR21513 [1,1,0,0,0,0|1,0,1]=4 47 B12R1.226 CC(=O)CCC1=CC=CC(Br)=C1 OR110679 [1,1,0,0,0,0|0,0,2]=4 48 B12R1.226 CC(C)COC1=NC(Cl)=CC=C1 OR323116 [1,1,0,0,0,0|2,0,0]=4 49 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 PC2030 [1,1,0,0,0,0|1,0,1]=4 50 B12R1.106 CC(C)(N)CC1=CC=C(F)C=C1 PC4170M [0,1,0,0,1,0|1,0,0]=3 51 B12R1.106 CC(C)(N)CC1=CC=C(F)C=C1 PC4170N [0,1,0,0,1,0|1,0,0]=3 52 B12R1.106 CC(C)(O)CC1=CC=C(F)C=C1 PC5535 [0,1,0,0,1,0|0,0,0]=2 53 B12R1.106 CC(F)(F)CC1=CC=C(Br)C=C1 PC520609 [0,1,0,0,1,0|2,0,0]=4 54 B12R1.119 CC(F)(F)CC1=CC=CC(Br)=C1 PC520641 [0,1,0,0,1,0|2,0,0]=4 55 B12R1.194 CC(C)(C#N)NC1=CC=CC=C1 OR303950 [0,1,0,0,1,0|2,0,0]=4 56 B14R1.3099 CC(C)(C)C(=O)CCC1=CC=CN=C1 OR470019 [0,1,0,0,0,1|2,0,0]=4 57 B14R1.293 CC1=CC=C(CNC(C)(C)C#N)C=C1 OR303949 [0,2,0,0,0,0|2,0,0]=4 58 B12R2.24 CC1CNC2=NC=CC=C2O1 OR111537 [1,0,0,1,0,0|2,0,0]=4 59 B12R2.92 CC1(C)NC1C2=CC=CC=C2 OR340191 [1,0,0,1,0,0|1,0,0]=3 60 B12R2.92 ClC1(Cl)CC1C2=CC=CC=C2 OR350128 [1,0,0,1,0,0|2,0,0]=4 61 B12R2.2057 C1=CC(CNC2CC2)=CC=N1 OR470955 [1,0,0,1,0,0|2,0,0]=4 62 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 OR451092 [1,0,0,1,0,0|1,0,0]=3 63 B14R2.5548 CC1(C)CNC2=C(C=CC=C2)OC1 OR111522 [0,1,0,1,0,0|1,0,0]=3 64 B14R2.4401 FC1(F)CC(C2=CC=C(Br)C=C2)C1 PC400054 [0,1,0,1,0,0|2,0,0]=4 65 B14R2.4401 NC1=CC=C(C2CC(F)(F)C2)C=C1 PC400058 [0,1,0,1,0,0|2,0,0]=4 66 B14R2.4474 FC1(F)CC(C2=CC=CC(Br)=C2)C1 PC400053 [0,1,0,1,0,0|2,0,0]=4 67 B14R2.4474 NC1=CC(C2CC(F)(F)C2)=CC=C1 PC400057 [0,1,0,1,0,0|2,0,0]=4 68 B14R3.4387 FC12CC(C3=CC=CC=C3)(C1)C2 PC405691 [0,0,0,2,0,0|1,0,0]=3 69 B14R3.4387 NC12CC(C3=CC=CC=C3)(C1)C2 OR312413 [0,0,0,2,0,0|1,0,0]=3 70 B10R1.18 CC(C)CC1=CC=NC=C1 OR470882 [1,0,0,0,1,0|1,0,0]=3 71 B10R1.18 CC(C)OC1=CC=CC=C1 OR25710 [1,0,0,0,1,0|1,0,0]=3 72 B10R1.18 CC(C)OC1=CN=CC=C1 OR321022 [1,0,0,0,1,0|2,0,0]=4 73 B10R1.18 CC(N)CC1=CC=CN=C1 OR322554 [1,0,0,0,1,0|2,0,0]=4 74 B10R1.18 C[C@H](O)CC1=CC=CC=C1 OR304049 [1,0,0,0,1,0|0,0,0]=2 75 B10R1.18 FC(F)CC1=CC=CC=C1 PC49564 [1,0,0,0,1,0|2,0,0]=4 76 B10R1.28 CC(F)(F)C1=CC=CC=C1 PC450090 [0,0,0,0,2,0|2,0,0]=4 77 B12R1.252 CC(=O)NCCC1=CC=CC=C1 OR27721 [1,0,0,0,0,1|0,0,2]=4 78 B12R1.252 CN(C)CCCC1=CC=NC=C1 OR25627 [1,0,0,0,0,1|2,0,0]=4 79 B12R1.252 O=C(O)CCSC1=CC=CC=C1 OR2272 [1,0,0,0,0,1|1,0,1]=4