0 B9R1.6 C[C@H](N)C1=CC=CN=N1 P20592 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.6 C[C@H](N)C1=CN=CN=C1 AT25776 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.6 C[C@H](N)C1=NC=CC=N1 AT18259 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.6 C[C@H](N)C1=NC=NC=C1 F15538 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.13 CC(C)C1=NC=C(N)C=C1 Y14829 [0,1,0,0,0,0|2,0,0]=3 5 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 D96455 [0,1,0,0,0,0|2,0,0]=3 6 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 Y14749 [0,1,0,0,0,0|2,0,0]=3 7 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 D96437 [0,1,0,0,0,0|2,0,0]=3 8 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 Y12111 [0,1,0,0,0,0|2,0,0]=3 9 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 96125 [0,1,0,0,0,0|2,0,0]=3 10 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 Y12227 [0,1,0,0,0,0|2,0,0]=3 11 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 Y14559 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y10226 [0,1,0,0,0,0|2,0,0]=3 13 B10R1.13 O=[N+]([O-])[13C]1=[13CH][13CH]=[13C](F)[13CH]=[13CH]1 35002 [0,1,0,0,0,0|2,1,0]=4 14 B10R1.13 OC1=CN=C(C(F)F)C=C1 O11507 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y10835 [0,1,0,0,0,0|1,0,1]=3 16 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 72624 [0,1,0,0,0,0|1,0,0]=2 17 B10R1.61 CC(C)C1=C(Br)C=NC=C1 AT12875 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.61 CN(C)C1=CC=CN=C1N W19197 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 74085 [0,1,0,0,0,0|2,0,0]=3 20 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 74087 [0,1,0,0,0,0|2,0,0]=3 21 B10R1.61 C[C@H](N)C1=C(O)C=CC=C1 Y13669 [0,1,0,0,0,0|1,0,0]=2 22 B10R1.113 CC(=O)C1=NC(N)=CC=C1 D85223 [0,1,0,0,0,0|1,1,1]=4 23 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 D96410 [0,1,0,0,0,0|2,0,0]=3 24 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 N11109 [0,1,0,0,0,0|2,0,0]=3 25 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 Y11455 [0,1,0,0,0,0|2,0,0]=3 26 B10R1.113 C[C@H](N)C1=CC(F)=NC=C1 90835 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.113 C[C@H](N)C1=CC(O)=NC=C1 D85248 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.113 C[C@H](N)C1=CC(O)=NC=C1 Y14013 [0,1,0,0,0,0|2,0,0]=3 29 B10R1.113 C[C@H](N)C1=CC(O)=NC=C1 Y14014 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 90541 [0,1,0,0,0,0|2,0,0]=3 31 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 Y13928 [0,1,0,0,0,0|2,0,0]=3 32 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y14695 [0,1,0,0,0,0|1,0,0]=2 33 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 D85250 [0,1,0,0,0,0|1,0,0]=2 34 B10R1.113 NC1=CC(C(F)F)=NC=C1 C90223 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.113 NC1=CC=CC(C(F)F)=N1 C72274 [0,1,0,0,0,0|3,0,0]=4 36 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 86778 [0,0,0,1,0,0|1,0,0]=2 37 B8R1.7 C[C@H](N)C1=CC=CO1 Y14798 [0,0,0,0,1,0|2,0,0]=3 38 B8R1.7 C[C@H](N)C1=CC=CS1 Y14840 [0,0,0,0,1,0|2,0,0]=3 39 B8R1.7 C[C@H](N)C1=CNN=C1 33731 [0,0,0,0,1,0|3,0,0]=4 40 B8R1.7 C[C@H](N)C1=COC=C1 D81573 [0,0,0,0,1,0|2,0,0]=3 41 B8R1.7 C[C@H](N)C1=NNC=C1 AT26569 [0,0,0,0,1,0|3,0,0]=4 42 B10R1.18 CC(C)NC1=CC=CN=N1 79167 [0,0,0,0,0,1|3,0,0]=4 43 B9R1.2 ClC1=CC(CBr)=NC=C1 78953 [1,1,0,0,0,0|2,0,0]=4 44 B9R1.2 ClCC1=NC=CC(Br)=C1 D74784 [1,1,0,0,0,0|2,0,0]=4 45 B9R1.2 FC1=CC(CBr)=CN=C1 89068 [1,1,0,0,0,0|2,0,0]=4 46 B9R1.2 NC1=CC(CO)=NC=C1 P19020 [1,1,0,0,0,0|1,1,0]=4 47 B9R1.2 OCC1=NC=CC(F)=C1 79250 [1,1,0,0,0,0|1,1,0]=4 48 B9R1.8 CCNC1=CC=CN=N1 79166 [1,1,0,0,0,0|2,0,0]=4 49 B9R1.8 CSCC1=NC=CC=C1 W19655 [1,1,0,0,0,0|1,0,0]=3 50 B9R1.8 NNCC1=CC=NC=C1 78931 [1,1,0,0,0,0|2,0,0]=4 51 B9R1.8 [C-]#[N+]CC1=NC=CC=C1 78723 [1,1,0,0,0,0|1,0,1]=4 52 B9R1.15 CC1=C(CBr)C=CN=C1 D80203 [1,1,0,0,0,0|2,0,0]=4 53 B9R1.15 CSC1=C(N)N=CC=C1 D83379 [1,1,0,0,0,0|2,0,0]=4 54 B9R1.15 NCC1=C(Cl)C=CN=C1 D72882 [1,1,0,0,0,0|2,0,0]=4 55 B9R1.15 NCC1=C(O)C=NC=C1 C11102 [1,1,0,0,0,0|2,0,0]=4 56 B9R1.11 N[C@@H](CO)C1=CC=CO1 Y13914 [0,1,0,0,1,0|2,0,0]=4 57 B9R1.11 N[C@@H](CO)C1=CC=CO1 Y13915 [0,1,0,0,1,0|2,0,0]=4 58 B9R1.35 CC1=CC=C([C@H](C)N)O1 AT20911 [0,1,0,0,1,0|2,0,0]=4 59 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y11523 [0,1,0,0,1,0|2,0,0]=4 60 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y14339 [0,1,0,0,0,1|1,0,0]=3 61 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 Y10854 [0,1,0,0,0,1|0,1,0]=3 62 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 N15521 [0,1,0,0,0,1|0,1,0]=3 63 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 Y10855 [0,1,0,0,0,1|0,1,0]=3 64 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 Y11162 [0,1,0,0,0,1|0,1,0]=3 65 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 Y13611 [0,1,0,0,0,1|1,0,0]=3 66 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 Y13862 [0,1,0,0,0,1|1,0,0]=3 67 B11R1.40 C[C@@H](CO)OC1=CC=CC=C1 98059 [0,1,0,0,0,1|0,1,0]=3 68 B11R1.86 C[C@H](N)CC1=C(F)C=CC=C1 D96033 [0,1,0,0,0,1|1,0,0]=3 69 B11R1.157 C[C@H](N)CC1=CC=CC(Cl)=C1 D96393 [0,1,0,0,0,1|1,0,0]=3 70 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 C76094 [0,2,0,0,0,0|0,1,1]=4 71 B11R1.3 CN(C)C1=CC=C(NN)C=C1 C74403 [0,2,0,0,0,0|2,0,0]=4 72 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 90832 [0,2,0,0,0,0|2,0,0]=4 73 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 I11173 [0,2,0,0,0,0|1,0,0]=3 74 B11R1.19 FC(F)(Br)C1=CC=C(Br)C=C1 36841 [0,2,0,0,0,0|2,0,0]=4 75 B11R1.21 CC(=O)C1=CC(Cl)=C(C)C=C1 F20825 [0,2,0,0,0,0|0,1,1]=4 76 B11R1.21 CC(C)C1=NC(N)=C(Br)C=C1 P19476 [0,2,0,0,0,0|2,0,0]=4 77 B11R1.21 CC1=C(Br)C=NC([C@H](C)N)=C1 79499 [0,2,0,0,0,0|2,0,0]=4 78 B11R1.21 C[C@H](N)C1=CC(F)=C(O)C=C1 Y13967 [0,2,0,0,0,0|1,0,0]=3 79 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 Y13906 [0,2,0,0,0,0|1,0,0]=3 80 B11R1.22 CN[C@@H](C)C1=CC=C(C)C=C1 Y13931 [0,2,0,0,0,0|1,0,0]=3 81 B11R1.22 CN[C@@H](C)C1=CC=C(F)C=C1 Y13728 [0,2,0,0,0,0|1,0,0]=3 82 B11R1.22 N[C@@H](CO)C1=CN=C(Br)C=C1 D85262 [0,2,0,0,0,0|2,0,0]=4 83 B11R1.166 C[C@H](N)C1=C(Br)C=C(F)C=C1 20175 [0,2,0,0,0,0|1,0,0]=3 84 B11R1.166 C[C@H](N)C1=C(Cl)C=C(F)C=N1 BL010218 [0,2,0,0,0,0|2,0,0]=4 85 B11R1.166 C[C@H](N)C1=C(O)C=C(F)C=C1 Y11759 [0,2,0,0,0,0|1,0,0]=3 86 B11R1.166 C[C@H](N)C1=C(O)C=C(F)C=C1 Y11760 [0,2,0,0,0,0|1,0,0]=3 87 B11R1.7 C#CC(C)(C)C1=CC=CC=C1 C12343 [0,2,0,0,0,0|1,0,0]=3 88 B11R1.12 CN[C@@H](CO)C1=CC=CC=C1 O10205 [0,2,0,0,0,0|0,1,0]=3 89 B11R1.12 CN[C@@H](CO)C1=CC=CC=C1 Y13039 [0,2,0,0,0,0|0,1,0]=3 90 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 Y11427 [0,2,0,0,0,0|1,0,0]=3 91 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y12191 [0,2,0,0,0,0|1,0,0]=3 92 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 Y13726 [0,2,0,0,0,0|1,0,0]=3 93 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 Y13727 [0,2,0,0,0,0|1,0,0]=3 94 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=N1 C73755 [0,2,0,0,0,0|2,0,0]=4 95 B11R1.87 CC(C)(C)C1=NC=CC=C1N W16124 [0,2,0,0,0,0|2,0,0]=4 96 B11R1.155 CC(C)(C)C1=CC(Br)=CN=C1 F50951 [0,2,0,0,0,0|2,0,0]=4 97 B11R1.155 CC(C)(C)C1=CN=CC(N)=C1 Y11135 [0,2,0,0,0,0|2,0,0]=4 98 B11R1.155 CC(C)(O)C1=CC=CC(Cl)=N1 C75048 [0,2,0,0,0,0|1,1,0]=4 99 B11R1.53 C[C@H](N)C1=C(C#N)C=CC=C1 Y12202 [0,2,0,0,0,0|1,0,0]=3 100 B11R1.53 C[C@H](N)C1=C(C#N)C=CC=C1 Y14118 [0,2,0,0,0,0|1,0,0]=3 101 B11R1.156 CC1=CC=CC(Cl)=C1[C@H](C)N Y11567 [0,2,0,0,0,0|1,0,0]=3 102 B11R1.156 C[C@H](N)C1=C(Br)C=CC=C1F Y13258 [0,2,0,0,0,0|1,0,0]=3 103 B11R1.156 C[C@H](N)C1=C(Br)C=CC=C1F Y13280 [0,2,0,0,0,0|1,0,0]=3 104 B11R1.156 C[C@H](N)C1=C(Cl)C=NC=C1Cl Y12845 [0,2,0,0,0,0|2,0,0]=4 105 B11R1.156 C[C@H](N)C1=C(F)C=NC=C1F Y14128 [0,2,0,0,0,0|2,0,0]=4 106 B11R1.156 C[C@H](N)C1=C(F)C=NC=C1F Y14129 [0,2,0,0,0,0|2,0,0]=4 107 B11R1.156 C[C@H](N)C1=C(F)C=NC=C1F Y14198 [0,2,0,0,0,0|2,0,0]=4 108 B11R1.156 C[C@H](O)C1=C(Cl)C=NC=C1Cl F52516 [0,2,0,0,0,0|1,1,0]=4 109 B11R1.159 CC(=O)C1=C(Br)C(C)=CC=C1 D82779 [0,2,0,0,0,0|0,1,1]=4 110 B11R1.159 CC(C)C1=CC=CC(F)=C1N W13839 [0,2,0,0,0,0|1,0,0]=3 111 B11R1.159 C[C@H](N)C1=CC=CC(F)=C1F Y11583 [0,2,0,0,0,0|1,0,0]=3 112 B11R1.167 CC(C)C1=C(N)C=CC(F)=C1 W13840 [0,2,0,0,0,0|1,0,0]=3 113 B11R1.167 CC1=C([C@H](C)N)C=C(F)C=C1 Y11917 [0,2,0,0,0,0|1,0,0]=3 114 B11R1.167 CC1=C([C@H](C)N)C=C(F)C=C1 Y11918 [0,2,0,0,0,0|1,0,0]=3 115 B11R1.167 C[C@H](N)C1=C(N)C=CC(F)=C1 Y12486 [0,2,0,0,0,0|1,0,0]=3 116 B11R1.167 C[C@H](N)C1=C(N)C=CC(F)=C1 Y12487 [0,2,0,0,0,0|1,0,0]=3 117 B11R1.167 C[C@H](N)C1=C(N)C=CC(F)=C1 Y12997 [0,2,0,0,0,0|1,0,0]=3 118 B11R1.167 C[C@H](N)C1=C(O)C=CC(Cl)=C1 52372 [0,2,0,0,0,0|1,0,0]=3 119 B11R1.167 C[C@H](N)C1=C(O)C=CC(Cl)=C1 Y13678 [0,2,0,0,0,0|1,0,0]=3 120 B11R1.167 C[C@H](O)C1=CC(Cl)=CN=C1F D79305 [0,2,0,0,0,0|1,1,0]=4 121 B11R1.74 CC1=CC(Br)=CC([C@H](C)N)=C1 D79983 [0,2,0,0,0,0|1,0,0]=3 122 B11R1.74 C[C@H](N)C1=CC(F)=CC(O)=C1 Y14614 [0,2,0,0,0,0|1,0,0]=3 123 B11R1.74 C[C@H](O)C1=CC(F)=CC(F)=C1 AT11381 [0,2,0,0,0,0|0,1,0]=3 124 B11R1.74 C[C@H](O)C1=CC(F)=CC(F)=C1 AT11382 [0,2,0,0,0,0|0,1,0]=3 125 B11R1.266 COC1=NC([C@H](C)N)=CC=C1 Y12185 [0,2,0,0,0,0|2,0,0]=4 126 B11R1.266 COC1=NC=CC([C@H](C)N)=C1 32100 [0,2,0,0,0,0|2,0,0]=4 127 B11R1.266 C[C@H](N)C1=CC=CC(CO)=C1 Y14056 [0,2,0,0,0,0|1,0,0]=3 128 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P19281 [0,0,0,1,0,1|1,0,0]=3 129 B11R2.10 C[C@H]1CC2=CC=CN=C2N1 93643 [0,0,0,1,0,1|2,0,0]=4 130 B11R2.1 C[C@H]1CCC2=C1C=CC=C2 A12834 [0,1,0,1,0,0|1,0,0]=3 131 B11R2.1 N[C@H]1COC2=C1C=CC=C2 I11132 [0,1,0,1,0,0|1,0,0]=3 132 B11R2.1 N[C@H]1COC2=C1C=CC=C2 N10468 [0,1,0,1,0,0|1,0,0]=3 133 B11R2.1 N[C@H]1COC2=NC=CC=C21 C16545 [0,1,0,1,0,0|2,0,0]=4 134 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D72211 [0,1,0,1,0,0|0,1,0]=3 135 B11R2.239 C1=CC=C(C2CNC2)C=C1 P11102 [0,1,0,1,0,0|1,0,0]=3 136 B11R2.55 ClC1=C(C2CC2)C=NC=C1 N13247 [0,1,0,1,0,0|2,0,0]=4