0 B11R1.40 CNC(=O)NC1=CC=CC=C1 D77088 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.40 COC(=N)CC1=CC=CC=C1 C10559 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.40 COC(=O)CC1=NN=CC=C1 37155 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.40 N#C[C@@H](N)CC1=CC=CC=C1 D76472 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.40 N[C@H](CF)CC1=CC=CC=C1 AC6790 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.40 N[C@H](CF)CC1=CC=CC=C1 AC6791 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.18 CC(=O)CC1=NC=CC=N1 P10714 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.18 O=C(Cl)NC1=CC=CC=C1 D86031 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.18 O=C(O)CC1=CC=CC=C1 AT24078 [1,0,0,0,0,0|0,0,0]=1 9 B10R1.18 O=C(O)CC1=CN=NC=C1 P19188 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.18 O=C(O)CC1=NC=NC=C1 P10413 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.18 O=C(O)CC1=NN=CC=C1 P10994 [1,0,0,0,0,0|2,0,0]=3 12 B12R1.32 NCC[C@H](F)CC1=CC=CC=C1 D76607 [0,1,0,0,0,0|2,0,1]=4 13 B12R1.34 COC(=O)[C@H](C)C1=NC=CC=C1 AT23841 [0,1,0,0,0,0|1,0,0]=2 14 B12R1.50 COC(=O)CC1=CC(Cl)=CN=C1 AT23279 [0,1,0,0,0,0|1,0,0]=2 15 B12R1.50 COC(=O)CC1=CC=NC(Cl)=N1 AT12431 [0,1,0,0,0,0|2,0,0]=3 16 B12R1.50 O=C(CBr)CC1=CC=CC(Br)=C1 78583 [0,1,0,0,0,0|2,0,0]=3 17 B12R1.371 COC(=O)CC1=CC=CN=C1Cl AT23266 [0,1,0,0,0,0|1,0,0]=2 18 B12R2.18 [2H]C1=CC2=C(C=CC=C2)N1C AC6975 [0,0,0,1,0,0|2,0,1]=4 19 B12R2.23 OC1CCC1C2=CC=CC=C2 84063 [0,0,0,1,0,0|1,0,2]=4 20 B12R2.24 O=C1CC2=C(C=CN=C2)CN1 86460 [0,0,0,1,0,0|2,0,0]=3 21 B12R2.24 O=C1CCC2=C(C=NC=C2)N1 AC7087 [0,0,0,1,0,0|3,0,0]=4 22 B10R1.15 C[C@H](ON)C1=CC=CC=C1 D74249 [0,0,0,0,1,0|2,0,1]=4 23 B9R1.8 I\C=C/C1=CC=CC=C1 AT23642 [2,0,0,0,0,0|1,0,1]=4 24 B11R1.24 COCOC1=CC=CC(Br)=C1 C11085 [1,1,0,0,0,0|1,0,1]=4 25 B11R1.28 NOCCNC1=CC=CC=C1 AT21708 [1,1,0,0,0,0|1,0,1]=4 26 B11R1.20 C[C@H](N)CC1=CC=C(I)C=C1 A10374 [1,1,0,0,0,0|1,0,1]=4 27 B11R1.20 O=C(O)CC1=CN=C(Br)N=C1 D76259 [1,1,0,0,0,0|2,0,0]=4 28 B11R1.20 O=C(O)CC1=CN=C(F)C=C1 AT23306 [1,1,0,0,0,0|1,0,0]=3 29 B11R1.20 O=C(O)CC1=CNC(=O)C=C1 D86041 [1,1,0,0,0,0|1,0,0]=3 30 B11R1.36 CC(C)[C@H](C)C1=CC=CC=C1 T70930 [1,1,0,0,0,0|1,0,1]=4 31 B11R1.36 C[C@@H](C(=O)O)C1=NC=CC=C1 W18289 [1,1,0,0,0,0|1,0,0]=3 32 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N15520 [1,1,0,0,0,0|0,0,2]=4 33 B11R1.36 N[C@@H](C(=O)O)C1=CC=NC=C1 AT23446 [1,1,0,0,0,0|1,0,0]=3 34 B11R1.36 N[C@@H](C(=O)O)C1=CC=NC=C1 AT23447 [1,1,0,0,0,0|1,0,0]=3 35 B11R1.36 N[C@@H](C(=O)[O-])C1=CC=NC=C1 AT23529 [1,1,0,0,0,0|1,0,1]=4 36 B11R1.86 CC(=O)NC1=C(O)C=NC=C1 D74339 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.86 CC(=O)NC1=CC=CNC1=O D74338 [1,1,0,0,0,0|2,0,0]=4 38 B11R1.86 O=C(O)CC1=C(Br)C=CN=C1 AT23274 [1,1,0,0,0,0|1,0,0]=3 39 B11R1.86 O=C(O)CC1=C(Br)C=NC=C1 AT23277 [1,1,0,0,0,0|1,0,0]=3 40 B11R1.86 O=C(O)CC1=C(Cl)C=CN=C1 AT23281 [1,1,0,0,0,0|1,0,0]=3 41 B11R1.86 O=C(O)CC1=C(Cl)C=NC=C1 AT23303 [1,1,0,0,0,0|1,0,0]=3 42 B11R1.86 O=C(O)CC1=C(F)C=NC=C1 AT23311 [1,1,0,0,0,0|1,0,0]=3 43 B11R1.86 O=C(O)CC1=CC=CN=C1F AT23305 [1,1,0,0,0,0|1,0,0]=3 44 B11R1.86 O=C(O)CC1=NC=CC=C1O 37888 [1,1,0,0,0,0|1,0,0]=3 45 B11R1.86 O=C([O-])CC1=C(Cl)C=NC=C1 AT23304 [1,1,0,0,0,0|1,0,1]=4 46 B11R1.86 O=C([O-])CC1=C(F)C=NC=C1 AT23312 [1,1,0,0,0,0|1,0,1]=4 47 B11R1.157 CC(=O)CC1=CC(N)=CC=C1 D75584 [1,1,0,0,0,0|0,0,0]=2 48 B11R1.157 C[C@H](N)CC1=CC=CC(Cl)=C1 D96441 [1,1,0,0,0,0|1,0,1]=4 49 B11R1.157 O=C(O)CC1=CC(Cl)=CN=C1 AT23278 [1,1,0,0,0,0|1,0,0]=3 50 B11R1.157 O=C(O)CC1=CC(F)=NC=C1 AT23309 [1,1,0,0,0,0|1,0,0]=3 51 B11R1.157 O=C(O)CC1=NC=CC(Cl)=C1 C73248 [1,1,0,0,0,0|1,0,0]=3 52 B11R1.157 O=C(O)CC1=NC=CC(F)=C1 AT23307 [1,1,0,0,0,0|1,0,0]=3 53 B11R1.157 O=C([O-])CC1=CC(F)=NC=C1 AT23310 [1,1,0,0,0,0|1,0,1]=4 54 B11R1.22 CNC(=S)C1=CC=C(Br)C=C1 AC9075 [0,1,0,0,1,0|1,1,0]=4 55 B11R1.22 COC(=O)C1=CN=C(Br)N=C1 AT22353 [0,1,0,0,1,0|2,0,0]=4 56 B11R1.22 COC(=O)C1=NN=C(F)C=C1 AT24744 [0,1,0,0,1,0|2,0,0]=4 57 B11R1.23 COC(=O)C1=CN=NC(C)=C1 E71799 [0,1,0,0,1,0|2,0,0]=4 58 B11R1.222 C=CC(=O)C1=C(F)C=CC=C1 F13144 [0,1,0,0,1,0|1,0,1]=4 59 B11R1.222 COC(=O)C1=NN=CC=C1C F51619 [0,1,0,0,1,0|2,0,0]=4 60 B11R1.222 O=C(NO)C1=C(Br)C=CC=C1 D76830 [0,1,0,0,1,0|2,0,0]=4 61 B11R1.39 COC(=O)CC1=NC(Cl)=CS1 P13693 [0,1,0,0,1,0|2,0,0]=4 62 B13R1.11 COC(=O)C[C@H](N)C1=CN=CN=C1 AT26000 [0,1,0,0,0,1|2,0,0]=4 63 B13R1.11 COC(=O)C[C@H](N)C1=CN=CN=C1 AT26001 [0,1,0,0,0,1|2,0,0]=4 64 B13R1.11 COC(=O)C[C@H](N)C1=CN=CN=C1 AT26002 [0,1,0,0,0,1|2,0,0]=4 65 B13R1.42 [C-]#[N+]CC(=O)OCC1=CC=CC=C1 AC8601 [0,1,0,0,0,1|1,0,1]=4 66 B13R1.351 O=C(O)C(=O)OCC1=CC=CC=C1 D76053 [0,1,0,0,0,1|2,0,0]=4 67 B13R1.19 CCOC(=O)CC1=NC=C(N)N=C1 96606 [0,2,0,0,0,0|2,0,0]=4 68 B13R1.19 CCOC(=O)CC1=NC=C(O)C=N1 P14062 [0,2,0,0,0,0|2,0,0]=4 69 B13R1.19 CCOC(=O)NC1=CC=C(Br)C=C1 D86004 [0,2,0,0,0,0|1,0,0]=3 70 B13R1.20 CCOC(=O)CC1=CC(F)=NC=C1 AT23308 [0,2,0,0,0,0|1,0,0]=3 71 B13R1.20 CCOC(=O)CC1=NC=NC(C)=C1 P10095 [0,2,0,0,0,0|2,0,0]=4 72 B13R1.47 CCOC(=O)[C@H](Br)C1=CC=NC=C1 93364 [0,2,0,0,0,0|1,0,0]=3 73 B13R1.470 CCOC(=O)CC1=C(Br)C=CN=C1 AT23275 [0,2,0,0,0,0|1,0,0]=3 74 B13R1.470 CCOC(=O)CC1=C(Cl)C=CN=C1 AT23276 [0,2,0,0,0,0|1,0,0]=3 75 B13R1.21 COC(=O)[C@H](C)C1=CC=C(O)C=C1 AC6311 [0,2,0,0,0,0|0,0,0]=2 76 B13R1.22 COC(=O)[C@H](N)C1=NC=CC(Br)=C1 57355 [0,2,0,0,0,0|1,0,0]=3 77 B13R1.532 CN[C@@H](C(=O)OC)C1=CC=CC=C1 D74785 [0,2,0,0,0,0|0,0,0]=2 78 B13R1.696 COC(=O)[C@H](F)C1=C(O)C=CC=C1 D76546 [0,2,0,0,0,0|0,0,0]=2 79 B13R1.708 COC(=O)C(F)(F)C1=CN=CN=C1 AT13200 [0,2,0,0,0,0|2,0,0]=4 80 B13R1.148 CC(C)C(=O)CC1=CC(N)=CC=C1 D75586 [0,2,0,0,0,0|1,0,0]=3 81 B13R1.148 CC1=CC=CC(CC(=O)C(=O)O)=C1 C92166 [0,2,0,0,0,0|2,0,0]=4 82 B13R1.202 CC1=C(CC(=O)C(=O)O)C=CC=C1 C92179 [0,2,0,0,0,0|2,0,0]=4 83 B13R1.202 O=C(O)C(=O)CC1=C(F)C=CC=C1 C91157 [0,2,0,0,0,0|2,0,0]=4 84 B13R1.5 COC(=O)CC1=NC=C(OC)N=C1 AT23464 [0,2,0,0,0,0|2,0,0]=4 85 B13R1.2679 COC(=O)CC1=C(N)C=C(Br)C=C1 AT20854 [0,2,0,0,0,0|0,0,0]=2 86 B13R1.2679 O=C(CBr)CC1=C(Cl)C=C(Cl)C=C1 78585 [0,2,0,0,0,0|2,0,0]=4 87 B13R1.2879 COC(=O)CC1=NNC(=O)C(C)=C1 P13570 [0,2,0,0,0,0|2,0,0]=4 88 B13R1.2879 O=C(CBr)CC1=CC(Cl)=C(Cl)C=C1 78586 [0,2,0,0,0,0|2,0,0]=4 89 B13R1.2872 COC(=O)CN1C=C(Br)C=CC1=O F14160 [0,2,0,0,0,0|1,0,0]=3 90 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E73009 [1,0,0,1,0,0|2,0,0]=4 91 B11R2.20 C1=CC2=C(C=N1)COCC2 AT22006 [1,0,0,1,0,0|1,0,1]=4 92 B11R2.20 C1=CN=C2COCCC2=C1 AT22005 [1,0,0,1,0,0|1,0,1]=4 93 B11R2.10 IC1CC2=C(C=CC=C2)C1 H10270 [1,0,0,1,0,0|1,0,1]=4 94 B11R2.36 O=C1CCC2=C(C=CN2)C1 D96427 [0,0,0,1,1,0|2,0,0]=4 95 B13R2.10 O=C1CC[C@@H](C2=CC=NC=C2)N1 AT26736 [0,0,0,1,0,1|2,0,0]=4 96 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 94454 [0,0,0,1,0,1|1,0,0]=3 97 B13R2.10 O=C1NC[C@@H](C2=NC=CC=C2)N1 AC4396 [0,0,0,1,0,1|2,0,0]=4 98 B13R2.15 O=C1COC[C@@H]1C2=CC=CC=C2 E73015 [0,1,0,1,0,0|0,0,0]=2 99 B13R2.43 COC1=NC2=C(C=CC(N)=C2)S1 AT26537 [0,1,0,1,0,0|1,1,0]=4 100 B13R2.146 O=C1CCN1C2=CC=C(Br)C=C2 D87614 [0,1,0,1,0,0|2,0,0]=4 101 B13R2.146 O=C1CC[C@@H]1C2=CC=C(Br)C=C2 AT20244 [0,1,0,1,0,0|1,0,0]=3 102 B13R2.3683 NC1=CC2=C(C=C1)CC(=O)NC2 AT21752 [0,1,0,1,0,0|1,0,0]=3 103 B13R2.155 O=C1COC2=C(C=C(Br)C=C2)C1 D76117 [0,1,0,1,0,0|2,0,0]=4 104 B13R2.5179 O=C1CCC2=C(Cl)C=CC=C2N1 69698 [0,1,0,1,0,0|2,0,0]=4 105 B13R2.5190 CN1C(=O)NC2=C1C=CC(N)=C2 C75569 [0,1,0,1,0,0|2,0,0]=4 106 B13R2.4825 CN1C(=O)CC2=C1C=CC=C2N AC8496 [0,1,0,1,0,0|1,0,0]=3 107 B13R2.4825 C[C@@H]1C(=O)NC2=C(Br)C=CC=C21 D72111 [0,1,0,1,0,0|2,0,0]=4 108 B9R1.6 C=C(F)C1=CC=CC=C1 CS3204 [1,0,0,0,1,0|1,0,1]=4 109 B9R1.6 C[P@H](=O)C1=CC=CC=C1 O11981 [1,0,0,0,1,0|1,0,0]=3 110 B9R1.11 COC(=O)C1=CON=C1 F14140 [0,0,0,0,2,0|2,0,0]=4 111 B9R1.11 COC(=O)C1=CSN=C1 F14219 [0,0,0,0,2,0|2,0,0]=4