0 B11R1.509 CS(C)(=O)=NC1=CN=CC=C1 E72526 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.18 CC(C)NC1=NC=CC=C1 D86001 [1,0,0,0,0,0|2,0,0]=3 2 B10R1.18 O=C(O)CC1=CC=CC=C1 AT24078 [1,0,0,0,0,0|1,0,1]=3 3 B12R1.106 CC(C)(C)OC1=CN=C(Br)C=C1 D88146 [0,1,0,0,0,0|3,0,0]=4 4 B12R1.106 CS(C)(=O)=NC1=CC=C(Br)C=C1 AT18486 [0,1,0,0,0,0|2,0,1]=4 5 B12R1.106 CS(C)(=O)=NC1=CC=C(N)C=C1 AT18477 [0,1,0,0,0,0|2,0,1]=4 6 B12R1.106 C[S@](=N)(=O)CC1=CC=C(Cl)C=C1 E72405 [0,1,0,0,0,0|2,0,1]=4 7 B12R1.119 CC(C)(C)SC1=CC(Cl)=CN=C1 AT19858 [0,1,0,0,0,0|3,0,0]=4 8 B12R1.119 CC(C)(N)CC1=CC=CC(Br)=C1 AT24486 [0,1,0,0,0,0|1,0,0]=2 9 B12R1.119 CC(C)(O)CC1=CC(N)=CC=C1 D75585 [0,1,0,0,0,0|0,0,0]=1 10 B12R1.119 CS(C)(=O)=NC1=CC(N)=CC=C1 AT18478 [0,1,0,0,0,0|2,0,1]=4 11 B12R1.119 CS(C)(=O)=NC1=CC=CC(Br)=C1 AT18487 [0,1,0,0,0,0|2,0,1]=4 12 B12R1.119 C[S@](=N)(=O)CC1=CC=CC(Cl)=C1 E72406 [0,1,0,0,0,0|2,0,1]=4 13 B12R1.151 CC(C)(O)CC1=C(Br)C=CC=N1 AT24027 [0,1,0,0,0,0|1,0,0]=2 14 B12R1.151 CS(C)(=O)=NC1=C(Br)C=CC=C1 AT18488 [0,1,0,0,0,0|2,0,1]=4 15 B12R1.151 CS(C)(=O)=NC1=C(N)C=CC=C1 AT18479 [0,1,0,0,0,0|2,0,1]=4 16 B12R1.151 CS(C)(=O)=NC1=C(O)C=CC=C1 AT18482 [0,1,0,0,0,0|2,0,1]=4 17 B12R1.151 C[S@](=N)(=O)CC1=C(Br)C=CC=C1 E72410 [0,1,0,0,0,0|2,0,1]=4 18 B12R1.564 CC(C)(O)[C@H](N)C1=CC=CC=C1 51065 [0,1,0,0,0,0|0,0,0]=1 19 B12R1.564 CC(C)(O)[C@H](N)C1=CC=NC=C1 86470 [0,1,0,0,0,0|1,0,0]=2 20 B12R1.564 CC(C)(O)[C@H](N)C1=NC=CC=C1 86469 [0,1,0,0,0,0|1,0,0]=2 21 B12R1.564 [2H]C([2H])([2H])[C@H](Br)C1=CC=CC=C1 D99002 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.28 [2H]C([2H])(N)C1=CC=CC=C1 D99382 [0,0,0,0,1,0|3,0,0]=4 23 B10R1.281 CC(C)(O)CN1C=CC=N1 AT24023 [0,0,0,0,1,0|2,0,0]=3 24 B12R1.891 [2H]C([2H])([2H])NCC1=CC=CC=C1 D99269 [0,0,0,0,0,1|3,0,0]=4 25 B9R1.8 CCOC1=CN=CC=C1 F31361 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.8 ClCCC1=CN=CC=C1 D87792 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.8 OCCC1=NC=NC=C1 20262 [2,0,0,0,0,0|2,0,0]=4 28 B9R1.8 SCCC1=CN=CC=C1 F18092 [2,0,0,0,0,0|1,1,0]=4 29 B11R1.20 CN(C)CC1=CN=C(Br)C=C1 D76266 [1,1,0,0,0,0|2,0,0]=4 30 B11R1.20 C[C@H](N)CC1=CC=C(I)C=C1 A10374 [1,1,0,0,0,0|1,0,0]=3 31 B11R1.36 CC(C)[C@H](C)C1=CC=CC=C1 T70930 [1,1,0,0,0,0|0,0,0]=2 32 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N15520 [1,1,0,0,0,0|0,0,0]=2 33 B11R1.36 O[C@H](C1=CC=CC=C1)C(F)F AT21494 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.36 O[C@H](C1=CC=CC=C1)C(F)F AT21495 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.40 COC(=N)CC1=CC=CC=C1 C10559 [1,1,0,0,0,0|1,0,1]=4 36 B11R1.40 N#C[C@@H](N)CC1=CC=CC=C1 D76472 [1,1,0,0,0,0|1,0,1]=4 37 B11R1.40 N[C@H](CF)CC1=CC=CC=C1 AC6790 [1,1,0,0,0,0|1,0,0]=3 38 B11R1.40 N[C@H](CF)CC1=CC=CC=C1 AC6791 [1,1,0,0,0,0|1,0,0]=3 39 B11R1.157 CC(=O)CC1=CC(N)=CC=C1 D75584 [1,1,0,0,0,0|0,0,2]=4 40 B11R1.157 C[C@H](N)CC1=CC=CC(Cl)=C1 D96441 [1,1,0,0,0,0|1,0,0]=3 41 B11R1.19 CC(C)(Br)C1=CC=C(Br)C=C1 AC9251 [0,1,0,0,1,0|1,0,0]=3 42 B11R1.19 CC(C)(F)C1=CC=C(N)C=C1 AT21859 [0,1,0,0,1,0|1,0,0]=3 43 B11R1.19 CC(C)(F)C1=CC=C(O)C=C1 AC6205 [0,1,0,0,1,0|1,0,0]=3 44 B11R1.19 CC(C)(O)C1=NC=C(N)N=C1 AT20018 [0,1,0,0,1,0|2,0,0]=4 45 B11R1.19 CP(C)(=O)C1=CC=C(Br)C=C1 D73584 [0,1,0,0,1,0|1,0,1]=4 46 B11R1.87 CC(C)(C)C1=C(Br)C=CC=N1 AT10672 [0,1,0,0,1,0|2,0,0]=4 47 B11R1.87 CC(C)(C)C1=C(Cl)C=CC=N1 68805 [0,1,0,0,1,0|2,0,0]=4 48 B11R1.87 CC(C)(N)C1=C(N)C=CC=C1 D86445 [0,1,0,0,1,0|1,0,0]=3 49 B11R1.87 CC(C)(O)C1=NC=CC=C1N AT11529 [0,1,0,0,1,0|1,0,0]=3 50 B11R1.87 CP(C)(=O)C1=C(I)C=CC=C1 AT11111 [0,1,0,0,1,0|1,0,1]=4 51 B11R1.155 CC(C)(C)C1=CN=CC(N)=C1 F51180 [0,1,0,0,1,0|2,0,0]=4 52 B11R1.155 CC(C)(N)C1=CC(F)=CN=C1 AT26869 [0,1,0,0,1,0|2,0,0]=4 53 B11R1.155 CC(C)(O)C1=CC(F)=CN=C1 AT26870 [0,1,0,0,1,0|1,0,0]=3 54 B11R1.76 CC(C)(O)CN1C=C(I)C=N1 AT22628 [0,1,0,0,1,0|2,0,0]=4 55 B11R1.76 CC(C)(O)CN1C=CC(Br)=N1 AT22826 [0,1,0,0,1,0|2,0,0]=4 56 B11R1.76 CC(C)(O)CN1C=CC(I)=N1 AT24024 [0,1,0,0,1,0|2,0,0]=4 57 B13R1.525 CC(C)(O)[C@H](N)C1=CC=C(F)C=C1 E71785 [0,2,0,0,0,0|0,0,0]=2 58 B13R1.883 CC(C)(O)CN1C=CC(Br)=CC1=O AT22625 [0,2,0,0,0,0|1,0,0]=3 59 B13R1.80 CC(C)(C)OC1=CC=CC(CBr)=C1 AT23135 [0,2,0,0,0,0|2,0,0]=4 60 B13R1.894 CC(C)(C)OC1=C(O)C=CC(I)=C1 AT24022 [0,2,0,0,0,0|2,0,0]=4 61 B13R1.894 CC(C)(O)CN1C=C(Br)C=CC1=O AT22624 [0,2,0,0,0,0|1,0,0]=3 62 B13R1.276 CC1=CC=CN=C1[C@@H](N)C(C)(C)C N13217 [0,2,0,0,0,0|2,0,0]=4 63 B13R1.1073 C[C@](O)(CC1=CC=CC=C1)C(=O)O D78560 [0,2,0,0,0,0|0,0,1]=3 64 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 P15599 [1,0,0,1,0,0|1,0,0]=3 65 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P19381 [1,0,0,1,0,0|1,0,0]=3 66 B11R2.10 IC1CC2=C(C=CC=C2)C1 H10270 [1,0,0,1,0,0|1,0,0]=3 67 B11R2.10 N[C@H]1CC2=CC=CN=C2C1 AT25949 [1,0,0,1,0,0|2,0,0]=4 68 B11R2.40 NC1(C2=CC=NC=C2)CC1 AC2827 [0,0,0,1,1,0|2,0,0]=4 69 B11R2.40 OC1(C2=CC=CC=C2)CC1 D72927 [0,0,0,1,1,0|0,0,0]=2 70 B11R2.40 OC1(C2=NC=CC=C2)CC1 AC9082 [0,0,0,1,1,0|1,0,0]=3 71 B13R2.173 C[C@]1(N)C[C@@H](C2=CC=CC=C2)C1 D79061 [0,0,0,1,0,1|1,0,0]=3 72 B13R2.222 CC1(C)NCC2=C(C=CC=C2)O1 D87992 [0,0,0,1,0,1|0,0,0]=2 73 B13R2.3051 NC1=CC2=C(C=C1)CC(F)(F)C2 AC4772 [0,1,0,1,0,0|2,0,0]=4 74 B13R2.103 NCC1(N)CC2=C(C=CC=C2)C1 C72743 [0,1,0,1,0,0|1,0,0]=3 75 B13R2.3201 CC1(C)C[C@@]1(N)C2=CC=CC=C2 E73018 [0,1,0,1,0,0|1,0,0]=3 76 B9R1.6 C[C@H](O)C1=CN=CN=C1 P11936 [1,0,0,0,1,0|2,0,0]=4 77 B9R1.6 C[C@H](O)C1=NN=CC=C1 P14065 [1,0,0,0,1,0|2,0,0]=4 78 B9R1.6 C[P@H](=O)C1=CC=CC=C1 O11981 [1,0,0,0,1,0|1,0,1]=4 79 B11R1.91 C[C@H](O)CCC1=CC=NC=C1 AT24513 [1,0,0,0,0,1|1,0,0]=3 80 B13R1.3523 CC(C)(O)COCC1=CC=CC=C1 AT19586 [0,0,0,0,0,2|0,0,0]=2