0 B11R1.167 CC(=O)C1=C(N)N=CC(Cl)=N1 D79879 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.167 CC(=O)C1=CC(F)=CN=C1F AT10058 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.167 CC(C)C1=C(N)C=CC(F)=C1 W13840 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.167 CC1=C([C@H](C)N)C=C(F)C=C1 Y11917 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.167 CC1=C([C@H](C)N)C=C(F)C=C1 Y11918 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.167 CN1C=CC(=O)C(C(=O)O)=C1 AT13146 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.167 C[C@H](N)C1=C(N)C=CC(F)=C1 Y12486 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.167 C[C@H](N)C1=C(N)C=CC(F)=C1 Y12487 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.167 C[C@H](N)C1=C(N)C=CC(F)=C1 Y12997 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.167 C[C@H](N)C1=C(O)C=CC(Cl)=C1 52372 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.167 C[C@H](N)C1=C(O)C=CC(Cl)=C1 Y13678 [0,0,0,0,0,0|2,0,1]=3 11 B11R1.167 NC1=CC(C(=O)O)=C(N)C=C1 D77186 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.30 CSC1=CC(C)=CN=C1Br D79859 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.30 NCC1=C(O)C=CC(O)=C1 Y13730 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.30 O=CC1=CC(F)=CN=C1O AT21536 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.61 C[C@H](N)C1=C(O)C=CC=C1 Y13669 [1,0,0,0,0,0|1,0,1]=3 16 B10R1.61 O=C(O)C1=C(S)C=CC=N1 D94966 [1,0,0,0,0,0|2,1,0]=4 17 B10R1.113 CC(=O)C1=NC(N)=CC=C1 D85223 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.113 CC1=CC(C(=O)O)=CN=N1 P12606 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y14695 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 D85250 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.113 NC(=O)C1=CC(Cl)=CN=C1 D79763 [1,0,0,0,0,0|3,0,0]=4 22 B12R1.46 COC1=CN=C(Br)C=C1C(=O)O C72014 [0,1,0,0,0,0|3,0,0]=4 23 B12R1.46 COC1=NC=C(Br)C=C1C(C)=O O10301 [0,1,0,0,0,0|2,0,0]=3 24 B12R1.46 NNC1=C(C(=O)O)C=C(F)C=C1 D96915 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.232 CC1=CC(F)=C(N)C=C1C(=O)O AT14691 [0,1,0,0,0,0|3,0,0]=4 26 B12R1.232 CC1=CC(N)=C(C(=O)O)C=C1C 34919 [0,1,0,0,0,0|2,0,0]=3 27 B12R1.354 CC1=CC([C@@H](N)CO)=C(F)C=C1 D96394 [0,1,0,0,0,0|2,0,1]=4 28 B12R1.354 COC(=O)C1=C(F)C=NC(N)=C1 90088 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.354 N[C@@H](CO)C1=C(O)C=CC(F)=C1 Y13827 [0,1,0,0,0,0|2,0,1]=4 30 B12R1.354 N[C@@H](CO)C1=C(O)C=CC(F)=C1 Y13828 [0,1,0,0,0,0|2,0,1]=4 31 B12R1.354 N[C@@H](CO)C1=C(O)C=CC(F)=C1 Y14300 [0,1,0,0,0,0|2,0,1]=4 32 B12R1.453 CCC1=CC(C(=O)O)=C(Br)C=C1 78892 [0,1,0,0,0,0|2,0,0]=3 33 B12R1.453 COC1=CC(C(=O)O)=C(C)N=C1 P19231 [0,1,0,0,0,0|3,0,0]=4 34 B12R1.511 NC1=C(N)C(C(=O)O)=CC(Br)=C1 27923 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.511 NC1=CC(F)=C(F)C(C(=O)O)=C1 D70727 [0,1,0,0,0,0|3,0,0]=4 36 B12R1.894 NC1=CC=C(F)C(Cl)=C1C(=O)O F17501 [0,1,0,0,0,0|3,0,0]=4 37 B12R2.132 N[C@H]1COC2=C1C=C(Br)C=C2 Y13240 [0,0,0,1,0,0|2,0,1]=4 38 B12R2.132 N[C@H]1COC2=C1C=C(Br)C=C2 Y13296 [0,0,0,1,0,0|2,0,1]=4 39 B12R2.132 N[C@H]1COC2=C1C=C(F)C=C2 Y10762 [0,0,0,1,0,0|2,0,1]=4 40 B12R2.132 N[C@H]1COC2=C1C=C(F)C=C2 Y14815 [0,0,0,1,0,0|2,0,1]=4 41 B12R2.132 O=C1CCC2=NC=C(Br)C=C12 W18637 [0,0,0,1,0,0|3,0,0]=4 42 B12R2.132 O=C1CCC2=NC=C(F)C=C12 P19250 [0,0,0,1,0,0|3,0,0]=4 43 B12R2.132 O=C1COC2=C1C=C(F)C=C2 Y13790 [0,0,0,1,0,0|1,0,0]=2 44 B9R1.2 CC1=CC=NC(C=O)=N1 P10996 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.2 O=CC1=NC=CC(F)=C1 P11634 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.15 NC1=C(C=O)C=CN=C1 25684 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.69 CC1=C(Br)C=CC(N)=C1 D73188 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.69 CC1=CC=C(O)C(F)=N1 D74688 [2,0,0,0,0,0|2,0,0]=4 49 B11R1.37 COC1=C(CO)C=CC(N)=C1 D77124 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.72 CC1=C(Br)C=CC(Br)=C1C=O D85952 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.277 O=CC1=CC(Br)=C(Br)C=C1F FD10643 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.277 O=CC1=CC(Cl)=C(Cl)C=C1F C90875 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.156 O=C(O)C1=C(F)C=CN=C1O C73448 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.159 CC(=O)C1=C(Br)C(C)=CC=C1 D82779 [1,1,0,0,0,0|1,0,0]=3 55 B11R1.159 O=C(O)C1=C(O)C(F)=NC=C1 D94423 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.166 CC(=O)C1=NC=C(Br)C=C1Cl D79869 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.166 C[C@H](N)C1=C(O)C=C(F)C=C1 Y11759 [1,1,0,0,0,0|1,0,1]=4 58 B11R1.166 C[C@H](N)C1=C(O)C=C(F)C=C1 Y11760 [1,1,0,0,0,0|1,0,1]=4 59 B11R1.21 CC(=O)C1=CC(Cl)=C(C)C=C1 F20825 [1,1,0,0,0,0|1,0,0]=3 60 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 Y11427 [1,1,0,0,0,0|1,0,1]=4 61 B11R1.74 CC1=CC(Br)=CC([C@H](C)N)=C1 D79983 [1,1,0,0,0,0|1,0,1]=4 62 B11R1.74 CC1=CC(C(=O)O)=NC(C)=C1 Y10195 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.266 C[C@H](N)C1=CC=CC(CO)=C1 Y14056 [1,1,0,0,0,0|1,0,1]=4 64 B11R1.266 NCC1=CC(C(N)=O)=CN=C1 Y10183 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.266 NCC1=CC=CC(C(=O)O)=N1 Y11519 [1,1,0,0,0,0|2,0,0]=4 66 B13R1.897 CC1=CC([C@@H](N)C(=O)O)=C(F)C=C1 D96425 [0,1,0,0,0,1|2,0,0]=4 67 B13R1.897 N[C@@H](C(=O)O)C1=C(O)C=CC(Br)=C1 Y13068 [0,1,0,0,0,1|2,0,0]=4 68 B13R1.897 N[C@@H](C(=O)O)C1=C(O)C=CC(F)=C1 Y11480 [0,1,0,0,0,1|2,0,0]=4 69 B13R1.2279 COC1=C(C(=O)O)C(C)=C(Cl)C=C1 P20619 [0,2,0,0,0,0|2,0,0]=4 70 B13R1.2398 COC1=CC(C)=C(S)C=C1C(=O)O C11761 [0,2,0,0,0,0|2,0,0]=4 71 B13R1.2430 C=C(C)C1=C(OC)C=CC(OC)=C1 Y14725 [0,2,0,0,0,0|1,0,0]=3 72 B13R1.2430 COC1=CC(C(C)C)=C(OC)C=C1 Y14701 [0,2,0,0,0,0|1,0,1]=4 73 B13R1.651 CCC1=C(F)C=C(O)C([N+](=O)[O-])=C1 C11555 [0,2,0,0,0,0|2,0,0]=4 74 B13R1.651 COC1=CC(C(C)=O)=C(O)C=C1O W15328 [0,2,0,0,0,0|0,0,0]=2 75 B13R1.1807 COC(=O)C1=CC(Br)=C(C)C=C1N 89894 [0,2,0,0,0,0|2,0,0]=4 76 B13R1.1807 COC(=O)C1=CC(Cl)=C(N)C=C1O AC3675 [0,2,0,0,0,0|1,0,0]=3 77 B13R1.1807 COC(=O)C1=CC(F)=C(F)C=C1C 55839 [0,2,0,0,0,0|2,0,0]=4 78 B13R1.1807 COC(=O)C1=CC(F)=C(O)N=C1O W18691 [0,2,0,0,0,0|2,0,0]=4 79 B13R1.2818 CC1=CC(C)=C(N)C(C(=O)O)=C1Br AC1529 [0,2,0,0,0,0|2,0,0]=4 80 B11R2.1 N[C@H]1COC2=C1C=CC=C2 I11132 [1,0,0,1,0,0|1,0,1]=4 81 B11R2.1 N[C@H]1COC2=C1C=CC=C2 N10468 [1,0,0,1,0,0|1,0,1]=4 82 B11R2.1 O=C1CCC2=C1C=NC=C2 D86734 [1,0,0,1,0,0|2,0,0]=4 83 B13R2.5187 CC1=CC2=C(C=C1)[C@@H](C)CC2=O Y13958 [0,1,0,1,0,0|1,0,0]=3 84 B13R2.5187 C[C@H]1CC(=O)C2=C1C=CC(Br)=C2 Y13961 [0,1,0,1,0,0|2,0,0]=4 85 B13R2.5187 C[C@H]1CC(=O)C2=C1C=CC(Cl)=C2 Y13960 [0,1,0,1,0,0|2,0,0]=4 86 B13R2.5187 C[C@H]1CC(=O)C2=C1C=CC(F)=C2 Y13959 [0,1,0,1,0,0|2,0,0]=4 87 B13R2.669 NCC1=CC2=C(C=C1)CNC2=O F13869 [0,1,0,1,0,0|2,0,0]=4 88 B9R1.41 CC(=O)C1=CSC=C1Cl 82933 [1,0,0,0,1,0|2,0,0]=4