0 B11R1.266 C#CC1=CC(C(=O)O)=CN=C1 AT12834 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.266 C=CC1=NC=CC(C(=O)O)=C1 AT19513 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.266 CCC1=CC=CC(C(=N)N)=N1 79414 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.266 COC1=CC(C(=O)O)=NN=C1 F30535 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.266 COC1=NC([C@H](C)N)=CC=C1 Y12185 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.266 COC1=NC=CC([C@H](C)N)=C1 32100 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.266 N#CC1=CC(C(=O)O)=NC=C1 79647 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.266 NCC1=CC(C(N)=O)=CN=C1 Y10183 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.266 NCC1=CC=CC(C(=O)O)=N1 Y11519 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.113 CC(=O)C1=NC(N)=CC=C1 D85223 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.113 CC1=CC(C(=O)O)=CN=N1 P12606 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 D85250 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.113 NC(=O)C1=CC(Cl)=CN=C1 D79763 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.113 O=C(O)C1=CC(Cl)=CN=N1 C71768 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.11 COC1=CC(Br)=NC(C(N)=O)=C1 AT21502 [0,1,0,0,0,0|2,0,0]=3 15 B12R1.11 COC1=CC(O)=CC(C(=O)O)=C1 O11013 [0,1,0,0,0,0|0,0,0]=1 16 B12R1.11 N#CC1=CC(C(=O)O)=CC(N)=C1 C11272 [0,1,0,0,0,0|2,0,0]=3 17 B12R1.56 COC1=C(C)C=CC(C(C)C)=C1 D76334 [0,1,0,0,0,0|2,0,1]=4 18 B12R1.56 COC1=C(I)C=CC(C(C)C)=C1 D70063 [0,1,0,0,0,0|2,0,1]=4 19 B12R1.258 CC(=O)C1=CC([C@H](C)N)=CC=C1 Y13934 [0,1,0,0,0,0|2,0,0]=3 20 B12R1.258 CN(C)C1=CC=CC(C(=O)O)=N1 AT21864 [0,1,0,0,0,0|2,0,0]=3 21 B12R1.258 O=C(O)C1=CC=CC(C(F)F)=N1 P18646 [0,1,0,0,0,0|3,0,0]=4 22 B12R1.258 O=C(O)C1=NC=CC(C(F)F)=C1 C72018 [0,1,0,0,0,0|3,0,0]=4 23 B12R1.279 CCCC1=CC=CC(C(=O)O)=C1 A10610 [0,1,0,0,0,0|1,0,0]=2 24 B12R1.279 CCOC1=CC([C@H](C)N)=CC=C1 Y13737 [0,1,0,0,0,0|2,0,1]=4 25 B12R1.435 C#CC1=CC=CC(C(=O)OC)=N1 N13245 [0,1,0,0,0,0|2,0,1]=4 26 B12R1.435 COC(=O)C1=CC=NC(SC)=N1 D79892 [0,1,0,0,0,0|2,1,0]=4 27 B12R1.435 COC(=O)C1=CN=CC(CN)=C1 C13965 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.435 CSC1=CC([C@@H](N)CO)=CC=C1 Y10824 [0,1,0,0,0,0|1,1,1]=4 29 B12R1.435 CSC1=CC([C@@H](N)CO)=CC=C1 Y13892 [0,1,0,0,0,0|1,1,1]=4 30 B12R1.436 CCC1=CC=CC(C(C)(C)O)=C1 Y14421 [0,1,0,0,0,0|2,0,1]=4 31 B12R1.440 COC1=C(Cl)C([C@H](C)N)=CC=C1 Y13243 [0,1,0,0,0,0|2,0,1]=4 32 B12R1.440 COC1=C(F)C(C(=O)O)=CC=N1 W19150 [0,1,0,0,0,0|1,0,0]=2 33 B12R1.440 COC1=C(F)C([C@H](C)N)=CC=C1 Y10290 [0,1,0,0,0,0|2,0,1]=4 34 B12R1.440 COC1=C(F)C([C@H](C)N)=CC=C1 Y11549 [0,1,0,0,0,0|2,0,1]=4 35 B12R1.440 COC1=C(F)C([C@H](C)N)=CC=C1 Y12980 [0,1,0,0,0,0|2,0,1]=4 36 B12R1.440 COC1=C(N)C(C(=O)O)=NC=C1 D76882 [0,1,0,0,0,0|1,0,0]=2 37 B12R1.440 COC1=CC=NC(C(=O)O)=C1Cl P20558 [0,1,0,0,0,0|1,0,0]=2 38 B12R1.453 CCC1=CC(C(=O)O)=C(Br)C=C1 78892 [0,1,0,0,0,0|1,0,0]=2 39 B12R1.453 COC1=CC(C(=O)O)=C(C)N=C1 P19231 [0,1,0,0,0,0|1,0,0]=2 40 B10R1.31 CCC1=CNC(C(=O)O)=C1 E70419 [0,0,0,0,1,0|2,0,0]=3 41 B10R1.31 COC1=CNC(C(=O)O)=C1 AC8161 [0,0,0,0,1,0|1,0,0]=2 42 B9R1.2 CC1=CC=NC(C=O)=N1 P10996 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.2 O=CC1=NC=CC(F)=C1 P11634 [2,0,0,0,0,0|2,0,0]=4 44 B11R1.21 CC(=O)C1=CC(Cl)=C(C)C=C1 F20825 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.21 CC1=C(F)C=C(C(=O)O)N=C1 W19243 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.21 O=C(O)C1=CC=C(F)C(F)=N1 D74727 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.21 O=C(O)C1=CC=C(O)C(=O)N1 O11445 [1,1,0,0,0,0|1,0,1]=4 48 B11R1.21 O=C(O)C1=NC(O)=C(O)N=C1 O11326 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.74 CC1=CC(C(=O)O)=NC(C)=C1 Y10195 [1,1,0,0,0,0|1,0,0]=3 50 B11R1.74 O=C(O)C1=CC(Cl)=NC(F)=C1 AC8374 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.159 CC(=O)C1=C(Br)C(C)=CC=C1 D82779 [1,1,0,0,0,0|1,0,0]=3 52 B11R1.159 CC1=C(C(=O)O)C=CN=C1Br D72094 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.159 CN1N=CC=C(C(=O)O)C1=O 63166 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.159 O=C(O)C1=C(O)C(F)=NC=C1 D94423 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.167 CN1C=CC(=O)C(C(=O)O)=C1 AT13146 [1,1,0,0,0,0|1,0,0]=3 56 B11R1.167 NC1=CC(C(=O)O)=C(N)C=C1 D77186 [1,1,0,0,0,0|1,0,0]=3 57 B11R1.189 CCOC1=CC=CC(C=O)=N1 D79228 [1,1,0,0,0,0|1,0,0]=3 58 B11R1.267 COC1=C(Cl)C(CN)=CC=C1 78920 [1,1,0,0,0,0|1,0,1]=4 59 B11R1.267 COC1=C(F)C(CO)=CC=C1 W18563 [1,1,0,0,0,0|0,0,1]=3 60 B11R1.267 N#CC1=CC=CC(C=O)=C1O Y14731 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.44 CCC1=CNC(C(=O)OC)=C1 C15752 [0,1,0,0,1,0|2,0,0]=4 62 B13R1.642 COC1=CC=CC(C(=O)C(=O)O)=C1 D84500 [0,1,0,0,0,1|0,0,0]=2 63 B13R1.126 CC(=O)C1=CC(N)=CC(C(C)=O)=C1 W10067 [0,2,0,0,0,0|2,0,0]=4 64 B13R1.298 COC1=CC([N+](=O)[O-])=CC(Cl)=C1F AC1311 [0,2,0,0,0,0|1,0,1]=4 65 B13R1.313 COC1=CC(CO)=CC([N+](=O)[O-])=C1 79058 [0,2,0,0,0,0|1,0,1]=4 66 B13R1.313 O=C(O)C1=CC(CBr)=CC(CBr)=C1 C11023 [0,2,0,0,0,0|2,0,0]=4 67 B13R1.314 COC(=O)C1=CC(C=O)=CC(F)=C1 32527 [0,2,0,0,0,0|2,0,0]=4 68 B13R1.314 COC(=O)C1=NC(Cl)=NC(OC)=C1 71987 [0,2,0,0,0,0|2,0,0]=4 69 B13R1.314 COC1=CC([C@@H](N)CO)=CC(F)=C1 Y14842 [0,2,0,0,0,0|1,0,1]=4 70 B13R1.437 COC1=CC([N+](=O)[O-])=C(Cl)C(C)=C1 D96363 [0,2,0,0,0,0|1,0,1]=4 71 B13R1.13 C[C@H](N)C1=C(F)C=CC(C(=O)O)=C1 Y12532 [0,2,0,0,0,0|1,0,0]=3 72 B13R1.13 C[C@H](N)C1=C(F)C=CC(C(=O)O)=C1 Y12533 [0,2,0,0,0,0|1,0,0]=3 73 B13R1.13 C[C@H](N)C1=C(F)C=CC(C(=O)O)=C1 Y13000 [0,2,0,0,0,0|1,0,0]=3 74 B13R1.49 COC(=O)C1=CC(C=O)=C(N)C=C1 24404 [0,2,0,0,0,0|2,0,0]=4 75 B13R1.49 COC1=C(Br)C=CC([C@@H](N)CO)=C1 Y13193 [0,2,0,0,0,0|1,0,1]=4 76 B13R1.49 COC1=C(Br)C=CC([C@@H](N)CO)=C1 Y13208 [0,2,0,0,0,0|1,0,1]=4 77 B13R1.49 COC1=C(F)C=CC([C@@H](N)CO)=C1 D96458 [0,2,0,0,0,0|1,0,1]=4 78 B13R1.49 COC1=C(F)C=CC([C@@H](N)CO)=C1 Y14843 [0,2,0,0,0,0|1,0,1]=4 79 B13R1.50 COC1=C(C)C=CC(S(=O)(=O)Cl)=C1 W19257 [0,2,0,0,0,0|1,0,1]=4 80 B13R1.651 COC1=CC(C(C)=O)=C(O)C=C1O W15328 [0,2,0,0,0,0|1,0,0]=3 81 B13R1.3091 COC1=C(CBr)C=CC([N+](=O)[O-])=C1 Y14735 [0,2,0,0,0,0|1,0,1]=4 82 B13R1.3091 COC1=C(SC)C=C(C(=O)O)C=C1 79347 [0,2,0,0,0,0|0,1,0]=3 83 B13R1.543 N[C@@H](CO)C1=CC=CC(C(=O)O)=C1 Y13820 [0,2,0,0,0,0|1,0,0]=3 84 B13R1.543 N[C@@H](CO)C1=CC=CC(C(=O)O)=C1 Y13821 [0,2,0,0,0,0|1,0,0]=3 85 B13R1.3801 CC(C)N1C=CC=C(C(=O)O)C1=O P19149 [0,2,0,0,0,0|2,0,0]=4 86 B13R1.374 COCC1=CC([C@@H](N)CO)=CC=C1 Y10832 [0,2,0,0,0,0|1,0,1]=4 87 B13R1.568 CCCCC1=CC=CC(C(=O)O)=C1 D85937 [0,2,0,0,0,0|1,0,0]=3 88 B13R1.568 OB(O)C1=CC=CC(OCCF)=C1 D77158 [0,2,0,0,0,0|1,0,1]=4 89 B13R1.82 COC(=O)C1=C(Cl)C(OC)=CC=N1 P19802 [0,2,0,0,0,0|1,0,0]=3 90 B13R1.82 COC(=O)C1=CC=CC(CBr)=C1F AT21057 [0,2,0,0,0,0|2,0,0]=4 91 B13R1.2430 C=C(C)C1=C(OC)C=CC(OC)=C1 Y14725 [0,2,0,0,0,0|2,0,0]=4 92 B13R2.2121 COC1=CC2=C(N=C1)NC(=O)C2 P19240 [0,0,0,1,0,1|2,0,0]=4 93 B13R2.5569 O=C(O)C1=C2C=COC2=NC=C1 D79573 [0,1,0,1,0,0|1,0,1]=4 94 B9R1.35 O=C(O)C1=CC(Cl)=CO1 P20559 [1,0,0,0,1,0|2,0,0]=4 95 B9R1.35 O=C(O)C1=CC(F)=CN1 W11739 [1,0,0,0,1,0|2,0,0]=4 96 B9R1.41 CC1=CON=C1C(=O)O C74055 [1,0,0,0,1,0|2,0,0]=4 97 B9R1.14 COC1=C(C=O)C=CS1 P15996 [1,0,0,0,1,0|1,0,0]=3 98 B11R1.157 NC1=CC=CC(CC(=O)O)=N1 F18201 [1,0,0,0,0,1|2,0,0]=4 99 B11R1.3 C#CC1=CN=C(C(=O)O)C=C1 55104 [0,0,0,0,1,1|1,0,1]=4 100 B11R1.3 CCC1=CN=C(C(=O)O)C=N1 D79974 [0,0,0,0,1,1|2,0,0]=4 101 B13R1.643 COC1=NC=CC(CCC(=O)O)=C1 72053 [0,0,0,0,0,2|1,0,0]=3