0 B11R1.166 CC1=CC(O)=C(B(O)O)C=C1 38167 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.166 CN(C)C1=CN=C(Cl)C=C1Cl D97275 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.166 C[C@H](N)C1=C(Br)C=C(F)C=C1 20175 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.166 C[C@H](N)C1=C(Cl)C=C(F)C=N1 BL010218 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.166 C[C@H](N)C1=C(O)C=C(F)C=C1 Y11759 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.166 C[C@H](N)C1=C(O)C=C(F)C=C1 Y11760 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.13 CC(C)C1=NC=C(N)C=C1 Y14829 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 D96455 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 Y14749 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 D96437 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 Y12111 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 96125 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 Y12227 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 Y14559 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y10226 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.25 CC1=CC(Cl)=C(CN)C=C1 Y13953 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.61 CC(C)C1=C(Br)C=NC=C1 AT12875 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.61 CN(C)C1=CC=CN=C1N W19197 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 74085 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 74087 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.61 C[C@H](N)C1=C(O)C=CC=C1 Y13669 [1,0,0,0,0,0|1,0,0]=2 21 B12R1.126 CC(C)(C)C1=C(Br)C=C(Cl)C=C1 F53247 [0,1,0,0,0,0|2,0,0]=3 22 B12R1.452 COC1=CC(Cl)=C([C@H](C)N)C=C1 Y12288 [0,1,0,0,0,0|2,0,0]=3 23 B12R1.452 COC1=CC(O)=C([C@H](C)N)C=C1 Y13671 [0,1,0,0,0,0|1,0,0]=2 24 B12R1.452 COC1=CC(O)=C([C@H](C)N)C=C1 Y13674 [0,1,0,0,0,0|1,0,0]=2 25 B12R1.452 COC1=CC(O)=C([C@H](C)N)C=C1 Y13965 [0,1,0,0,0,0|1,0,0]=2 26 B12R1.1703 CN[C@@H](C)C1=C(F)C=C(F)C=C1 Y14784 [0,1,0,0,0,0|2,0,0]=3 27 B12R1.1703 CN[C@@H](C)C1=C(F)C=C(F)C=C1 Y14785 [0,1,0,0,0,0|2,0,0]=3 28 B12R1.1703 N[C@@H](CO)C1=C(F)C=C(F)C=C1 Y11550 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.1703 N[C@@H](CO)C1=C(O)C=C(F)C=C1 Y11177 [0,1,0,0,0,0|2,0,0]=3 30 B12R2.612 CC1=CC2=C(C=C1)C(=O)CO2 Y14103 [0,0,0,1,0,0|1,0,1]=3 31 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CO2 Y11203 [0,0,0,1,0,0|1,0,0]=2 32 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 67302 [0,0,0,1,0,0|3,0,0]=4 33 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y10271 [0,0,0,1,0,0|3,0,0]=4 34 B12R2.612 N[C@H]1COC2=C1C=CC(Br)=C2 N11241 [0,0,0,1,0,0|2,0,0]=3 35 B12R2.612 N[C@H]1COC2=C1C=CC(Cl)=C2 N11265 [0,0,0,1,0,0|2,0,0]=3 36 B12R2.612 N[C@H]1COC2=C1C=CC(Cl)=C2 Y13417 [0,0,0,1,0,0|2,0,0]=3 37 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 Y14817 [0,0,0,1,0,0|2,0,0]=3 38 B12R2.612 OC1=CC2=C(C=C1)[C@@H](O)CC2 Y14104 [0,0,0,1,0,0|3,0,0]=4 39 B12R2.1317 NC1=C(C2CC2)C=CC(Br)=N1 AT10206 [0,0,0,1,0,0|3,0,0]=4 40 B9R1.15 NCC1=C(O)C=NC=C1 C11102 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.69 CC1=CC(O)=C(N)N=C1 C15261 [2,0,0,0,0,0|2,0,0]=4 42 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 C76094 [1,1,0,0,0,0|1,0,1]=4 43 B11R1.3 CN(C)C1=CC=C(NN)C=C1 C74403 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 90832 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 I11173 [1,1,0,0,0,0|1,0,1]=4 46 B11R1.21 CC(=O)C1=CC(Cl)=C(C)C=C1 F20825 [1,1,0,0,0,0|1,0,1]=4 47 B11R1.21 CC(C)C1=NC(N)=C(Br)C=C1 P19476 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.21 C[C@H](N)C1=CC(F)=C(O)C=C1 Y13967 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 Y13906 [1,1,0,0,0,0|1,0,0]=3 50 B11R1.22 CN[C@@H](C)C1=CC=C(C)C=C1 Y13931 [1,1,0,0,0,0|0,0,0]=2 51 B11R1.22 CN[C@@H](C)C1=CC=C(F)C=C1 Y13728 [1,1,0,0,0,0|1,0,0]=3 52 B11R1.37 COC1=C(CO)C=CC(N)=C1 D77124 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.277 CCC1=C(Br)C=C(F)C(O)=C1 70403 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.277 COC1=CC(=O)C(C)=CC1=O A10831 [1,1,0,0,0,0|1,0,1]=4 55 B11R1.53 C[C@H](N)C1=C(C#N)C=CC=C1 Y12202 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.53 C[C@H](N)C1=C(C#N)C=CC=C1 Y14118 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.87 CC(C)(C)C1=NC=CC=C1N W16124 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.156 CC1=CC=CC(Cl)=C1[C@H](C)N Y11567 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.156 C[C@H](N)C1=C(Br)C=CC=C1F Y13258 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.156 C[C@H](N)C1=C(Br)C=CC=C1F Y13280 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.159 CC(C)C1=CC=CC(F)=C1N W13839 [1,1,0,0,0,0|1,0,0]=3 62 B11R1.159 C[C@H](N)C1=CC=CC(F)=C1F Y11583 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.167 CC(C)C1=C(N)C=CC(F)=C1 W13840 [1,1,0,0,0,0|1,0,0]=3 64 B11R1.167 CC1=C([C@H](C)N)C=C(F)C=C1 Y11917 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.167 CC1=C([C@H](C)N)C=C(F)C=C1 Y11918 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.167 C[C@H](N)C1=C(N)C=CC(F)=C1 Y12486 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.167 C[C@H](N)C1=C(N)C=CC(F)=C1 Y12487 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.167 C[C@H](N)C1=C(N)C=CC(F)=C1 Y12997 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.167 C[C@H](N)C1=C(O)C=CC(Cl)=C1 52372 [1,1,0,0,0,0|1,0,0]=3 70 B11R1.167 C[C@H](N)C1=C(O)C=CC(Cl)=C1 Y13678 [1,1,0,0,0,0|1,0,0]=3 71 B13R1.2679 CC1=CC(C)=C(C[C@H](N)CO)C=C1 Y13786 [0,1,0,0,0,1|2,0,0]=4 72 B13R1.2679 CC1=CC(C)=C(C[C@H](N)CO)C=C1 Y14441 [0,1,0,0,0,1|2,0,0]=4 73 B13R1.3800 CC(C)C1=CC(O)=C(O)C(=O)C=C1 39097 [0,1,0,0,0,1|1,0,0]=3 74 B13R1.99 COC1=CC(OC)=C([C@H](C)N)C=C1 Y13634 [0,2,0,0,0,0|1,0,0]=3 75 B13R1.4183 CC1=CC(C)=C([C@@](C)(N)CO)C=C1 Y14028 [0,2,0,0,0,0|1,0,0]=3 76 B13R1.95 CC[C@H](N)C1=C(O)C=C(OC)C=C1 Y13687 [0,2,0,0,0,0|1,0,0]=3 77 B13R1.95 CC[C@H](N)C1=C(O)C=C(OC)C=C1 Y13688 [0,2,0,0,0,0|1,0,0]=3 78 B13R1.95 CC[C@H](N)C1=C(O)C=C(OC)C=C1 Y14528 [0,2,0,0,0,0|1,0,0]=3 79 B13R1.95 COC1=CC(Cl)=C([C@@H](N)CO)C=C1 Y12299 [0,2,0,0,0,0|2,0,0]=4 80 B13R1.95 COC1=CC(Cl)=C([C@@H](N)CO)C=C1 Y12300 [0,2,0,0,0,0|2,0,0]=4 81 B13R1.120 C[C@H](N)C1=C(F)C=C(C(F)F)C=C1 Y14575 [0,2,0,0,0,0|2,0,0]=4 82 B13R1.120 C[C@H](N)C1=C(F)C=C(C(F)F)C=C1 Y14588 [0,2,0,0,0,0|2,0,0]=4 83 B13R1.4656 CC1=CC(C)=C([C@@H](N)CO)C(C)=C1 D96384 [0,2,0,0,0,0|2,0,0]=4 84 B13R1.1511 CC1=CC(C)=C([C@@H](N)CC#N)C=C1 Y14257 [0,2,0,0,0,0|2,0,0]=4 85 B11R2.36 NC1=CC=C2CCOC2=N1 AT22072 [1,0,0,1,0,0|2,0,0]=4 86 B11R2.1 C[C@H]1CCC2=C1C=CC=C2 A12834 [1,0,0,1,0,0|1,0,0]=3 87 B11R2.1 N[C@H]1COC2=C1C=CC=C2 I11132 [1,0,0,1,0,0|1,0,0]=3 88 B11R2.1 N[C@H]1COC2=C1C=CC=C2 N10468 [1,0,0,1,0,0|1,0,0]=3 89 B11R2.1 N[C@H]1COC2=NC=CC=C21 C16545 [1,0,0,1,0,0|2,0,0]=4 90 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D72211 [1,0,0,1,0,0|2,0,0]=4 91 B11R2.55 ClC1=C(C2CC2)C=NC=C1 N13247 [1,0,0,1,0,0|2,0,0]=4 92 B13R2.3051 CC1(C)CC2=C(C=C(Br)C=C2)O1 94697 [0,0,0,1,0,1|1,0,0]=3 93 B13R2.2082 COC1=CC(Br)=CN=C1C2CC2 C91468 [0,1,0,1,0,0|2,0,0]=4 94 B13R2.3108 CC1(C)NCC2=C1C=CC(Br)=C2 P13035 [0,1,0,1,0,0|2,0,0]=4 95 B13R2.5179 CC1=CC2=C(C=C1)[C@@H](N)CCC2 N11394 [0,1,0,1,0,0|2,0,0]=4 96 B13R2.5179 CC1=CC2=C(C=C1)[C@@H](N)CCC2 Y11140 [0,1,0,1,0,0|2,0,0]=4 97 B13R2.5179 CC1=CC2=C(C=C1)[C@@H](N)CCO2 Y14569 [0,1,0,1,0,0|1,0,0]=3 98 B13R2.5179 C[C@H]1CNCC2=C1C=CC(Br)=C2 P17539 [0,1,0,1,0,0|2,0,0]=4 99 B13R2.5179 N[C@H]1CCOC2=C1C=CC(Cl)=C2 Y11532 [0,1,0,1,0,0|2,0,0]=4 100 B13R2.5179 N[C@H]1CCOC2=C1C=CC(Cl)=C2 Y11552 [0,1,0,1,0,0|2,0,0]=4 101 B13R2.5187 CC1=CC2=C(C=C1)[C@@H](C)CC2=O Y13958 [0,1,0,1,0,0|0,0,1]=3 102 B13R2.5187 C[C@H]1CC(=O)C2=C1C=CC(Br)=C2 Y13961 [0,1,0,1,0,0|1,0,1]=4 103 B13R2.5187 C[C@H]1CC(=O)C2=C1C=CC(Cl)=C2 Y13960 [0,1,0,1,0,0|1,0,1]=4 104 B13R2.5187 C[C@H]1CC(=O)C2=C1C=CC(F)=C2 Y13959 [0,1,0,1,0,0|1,0,1]=4 105 B13R2.3125 NC1(C2=C(F)C=C(Br)C=C2)CC1 AC3462 [0,1,0,1,0,0|2,0,0]=4 106 B13R2.2130 COC1=CC2=C(C=C1)[C@@H](N)CC2 Y14788 [0,1,0,1,0,0|2,0,0]=4 107 B13R2.2130 COC1=CC2=C(C=C1)[C@@H](N)CC2 Y14789 [0,1,0,1,0,0|2,0,0]=4 108 B13R2.13518 FC1=CC(F)=C(C2CNC2)C=C1 C93528 [0,1,0,1,0,0|2,0,0]=4 109 B9R1.35 CC1=CC=C([C@H](C)N)O1 AT20911 [1,0,0,0,1,0|2,0,0]=4 110 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y14339 [1,0,0,0,0,1|2,0,0]=4 111 B11R1.86 C[C@H](N)CC1=C(F)C=CC=C1 D96033 [1,0,0,0,0,1|2,0,0]=4 112 B11R1.74 CC1=CC(Br)=CC([C@H](C)N)=C1 D79983 [0,0,0,0,1,1|2,0,0]=4 113 B11R1.74 C[C@H](N)C1=CC(F)=CC(O)=C1 Y14614 [0,0,0,0,1,1|2,0,0]=4