0 B10R1.13 CC(C)C1=NC=C(N)C=N1 81917 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.13 CC(C)C1=NN=C(Br)C=C1 C14147 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.13 CC(C)C1=NNC(=O)CC1 F12620 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.13 CC(C)[C@H]1C=CC(=O)CC1 AT12689 [0,0,0,0,0,0|1,0,3]=4 4 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10705 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.13 CC1=CN=C([C@H](C)N)C=N1 56573 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 56564 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 56569 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 AT10886 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 AT10887 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 C90363 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.13 CC1=NC=C([C@H](C)O)C=N1 AT10878 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.13 CN(C)C1=CC=C(S)C=C1 T70960 [0,0,0,0,0,0|2,0,2]=4 13 B10R1.13 CN(C)C1=CN=C(I)C=N1 O11454 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.13 CN(C)C1=NC=C(N)C=C1 D74940 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 F16941 [0,0,0,0,0,0|2,0,2]=4 16 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 N12656 [0,0,0,0,0,0|2,0,2]=4 17 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 N11221 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 D81683 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 Y10703 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 90531 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 N16973 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 90529 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.13 C[C@H](O)C1=CN=C(F)C=C1 AT10687 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10690 [0,0,0,0,0,0|3,0,1]=4 25 B9R1.1 CC1=NC=C(CBr)C=C1 F52459 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.1 CC1=NC=C(CCl)C=C1 D87733 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.6 C[C@H](Br)C1=NC=CN=C1 C77147 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13293 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.6 C[C@H](N)C1=CC=CN=C1 S11132 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.6 C[C@H](N)C1=NC=CC=C1 90514 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93141 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93144 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.3 CC(C)C1=CC=C(CS)C=C1 AT13687 [0,1,0,0,0,0|0,0,2]=3 34 B11R1.3 CC(C)C1=NC=C(CN)C=N1 81408 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 N12206 [0,1,0,0,0,0|1,0,2]=4 36 B11R1.3 COC1=CN=C([C@H](C)N)C=C1 90819 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.3 COC1=CN=C([C@H](C)N)C=C1 90820 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 90831 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 N11219 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 D76956 [0,1,0,0,0,0|1,0,2]=4 41 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 N10959 [0,1,0,0,0,0|1,0,2]=4 42 B11R1.3 CSC1=CC=C([C@H](C)O)C=C1 AT20981 [0,1,0,0,0,0|1,0,2]=4 43 B11R1.3 CSC1=CC=C([C@H](C)O)C=C1 AT20982 [0,1,0,0,0,0|1,0,2]=4 44 B11R1.3 C[C@H](N)C1=CC=C(CCl)C=C1 96061 [0,1,0,0,0,0|1,0,2]=4 45 B11R1.19 CC(C)(C)C1=CN=C(O)C=C1 F13765 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.19 CC(C)(F)C1=NC=C(Br)C=C1 AC2038 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.19 CC(C)(N)C1=CC=C(Cl)C=C1 98110 [0,1,0,0,0,0|1,0,2]=4 48 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 N10815 [0,1,0,0,0,0|1,0,2]=4 49 B11R1.19 CC(C)(N)C1=CN=C(Cl)C=C1 91211 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.19 CC(C)(O)C1=CN=C(Br)C=C1 AB10226 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.19 CC(C)(O)C1=CN=C(Br)C=N1 AT10278 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.19 CC(C)(O)C1=CN=C(Cl)C=C1 AT10277 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.19 CC(C)(O)C1=CN=C(Cl)C=N1 AT16684 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.19 CC(C)(O)C1=CN=C(F)C=C1 88188 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.19 CC1=CC=C(C(C)(C)N)C=C1 F13271 [0,1,0,0,0,0|0,0,2]=3 56 B11R1.21 CC(C)C1=CC(Br)=C(I)C=C1 H11162 [0,1,0,0,0,0|1,0,2]=4 57 B11R1.21 CC1=C(C)C=C([C@H](C)O)C=C1 44393 [0,1,0,0,0,0|1,0,2]=4 58 B11R1.21 CC1=C(N)C=C([C@H](C)N)C=C1 Y11249 [0,1,0,0,0,0|1,0,2]=4 59 B11R1.21 CC1=C(O)C=C([C@H](C)N)C=C1 N14772 [0,1,0,0,0,0|1,0,2]=4 60 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13432 [0,1,0,0,0,0|1,0,2]=4 61 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13433 [0,1,0,0,0,0|1,0,2]=4 62 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13434 [0,1,0,0,0,0|1,0,2]=4 63 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13455 [0,1,0,0,0,0|1,0,2]=4 64 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13456 [0,1,0,0,0,0|1,0,2]=4 65 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13457 [0,1,0,0,0,0|1,0,2]=4 66 B11R1.22 CC1=CC=C([C@@H](O)CN)C=C1 C78285 [0,1,0,0,0,0|1,0,2]=4 67 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 N11154 [0,1,0,0,0,0|2,0,1]=4 68 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 N11155 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.22 CC[C@H](C)C1=CC=C(Br)C=C1 O10385 [0,1,0,0,0,0|1,0,2]=4 70 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 N12295 [0,1,0,0,0,0|1,0,2]=4 71 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y11091 [0,1,0,0,0,0|1,0,2]=4 72 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y11092 [0,1,0,0,0,0|1,0,2]=4 73 B11R1.22 CO[C@@H](C)C1=CC=C(Br)C=C1 N11516 [0,1,0,0,0,0|1,0,2]=4 74 B11R1.22 C[C@@H](CN)C1=CC=C(Cl)C=C1 F20636 [0,1,0,0,0,0|1,0,2]=4 75 B11R1.22 C[C@@H](CN)C1=CC=C(O)C=C1 70995 [0,1,0,0,0,0|1,0,2]=4 76 B11R1.166 CC(C)C1=C(Br)C=C(Cl)C=C1 F21471 [0,1,0,0,0,0|1,0,2]=4 77 B11R1.166 CC(C)C1=C(F)C=C(Br)C=C1 F52298 [0,1,0,0,0,0|1,0,2]=4 78 B11R1.166 CC1=CC(Br)=C(C(C)C)C=C1 AT26576 [0,1,0,0,0,0|0,0,2]=3 79 B11R1.166 CC1=CC(C)=C([C@H](C)N)C=C1 N12239 [0,1,0,0,0,0|1,0,2]=4 80 B11R1.166 CC1=CC(Cl)=C([C@H](C)N)C=C1 D81539 [0,1,0,0,0,0|1,0,2]=4 81 B11R1.166 CC1=CC(Cl)=C([C@H](C)N)C=C1 D81617 [0,1,0,0,0,0|1,0,2]=4 82 B11R1.166 CC1=CC(F)=C([C@H](C)O)C=C1 AT15336 [0,1,0,0,0,0|1,0,2]=4 83 B11R1.166 CC1=CC=C(C(C)C)C(N)=N1 AT11138 [0,1,0,0,0,0|1,0,1]=3 84 B11R2.34 CC1=CC=C(C2CC2)C=C1 AC9737 [0,0,0,1,0,0|0,0,2]=3 85 B11R2.34 ClC1=CC=C(C2CC2)C=C1 AC9567 [0,0,0,1,0,0|1,0,2]=4 86 B9R1.35 CC(C)C1=CC(N)=NO1 AT19779 [0,0,0,0,1,0|3,0,0]=4 87 B9R1.35 CC(C)C1=CN=C(Br)O1 AT18460 [0,0,0,0,1,0|3,0,0]=4 88 B9R1.35 CC(C)C1=CN=C(Cl)O1 AT18556 [0,0,0,0,1,0|3,0,0]=4 89 B9R1.35 CC(C)C1=CN=C(N)O1 AT18720 [0,0,0,0,1,0|3,0,0]=4 90 B9R1.35 CC(C)C1=CSC(Br)=N1 C71112 [0,0,0,0,1,0|3,0,0]=4 91 B9R1.35 CC(C)C1=NC=C(Br)N1 AT15320 [0,0,0,0,1,0|3,0,0]=4 92 B9R1.35 CC(C)C1=NC=C(Br)O1 AT18554 [0,0,0,0,1,0|3,0,0]=4 93 B9R1.35 CC(C)[C@@H]1CC(=O)CN1 94320 [0,0,0,0,1,0|2,0,1]=4 94 B9R1.35 CC1=CC(C(C)C)=NN1 89085 [0,0,0,0,1,0|2,0,0]=3 95 B9R1.35 CC1=CC([C@H](C)O)=NO1 AT19830 [0,0,0,0,1,0|3,0,0]=4 96 B9R1.35 CC1=CC([C@H](C)O)=NO1 AT19832 [0,0,0,0,1,0|3,0,0]=4 97 B9R1.35 CC1=CC=C([C@H](C)N)O1 N12562 [0,0,0,0,1,0|2,0,1]=4 98 B9R1.35 CC1=CC=C([C@H](C)N)O1 Y12182 [0,0,0,0,1,0|2,0,1]=4 99 B9R1.35 CC1=CN=C([C@H](C)N)O1 F53855 [0,0,0,0,1,0|3,0,0]=4 100 B9R1.35 CC1=NC([C@H](C)N)=CS1 N14678 [0,0,0,0,1,0|3,0,0]=4 101 B9R1.35 CC1=NN(C(C)C)C=N1 92722 [0,0,0,0,1,0|3,0,0]=4 102 B9R1.35 C[C@H](N)C1=CN(C)C=N1 AT22193 [0,0,0,0,1,0|3,0,0]=4 103 B9R1.35 C[C@H](N)C1=CSC(Cl)=C1 P13206 [0,0,0,0,1,0|3,0,0]=4 104 B9R1.35 C[C@H](O)C1=CC(Br)=CS1 39106 [0,0,0,0,1,0|3,0,0]=4 105 B9R1.35 C[C@H](O)C1=CC(Br)=CS1 P19372 [0,0,0,0,1,0|3,0,0]=4 106 B9R1.35 C[C@H](O)C1=CN(C)N=C1 AT14442 [0,0,0,0,1,0|3,0,0]=4 107 B9R1.35 C[C@H](O)C1=CN(C)N=C1 AT14448 [0,0,0,0,1,0|3,0,0]=4 108 B9R1.35 C[C@H](O)C1=CN(C)N=C1 P10637 [0,0,0,0,1,0|3,0,0]=4 109 B11R1.20 CC1=CC=C(C[C@H](C)N)C=C1 N14354 [0,0,0,0,0,1|1,0,2]=4 110 B8R0.28 C=C(C)CCCC(C)C T70747 [1,0,1,0,0,0|0,0,2]=4 111 B10R1.3 CCC1=CN=C(CCl)C=C1 94422 [1,1,0,0,0,0|1,0,1]=4 112 B10R1.3 CCC1=CN=C(CO)C=C1 94421 [1,1,0,0,0,0|1,0,1]=4 113 B10R1.176 CCC1=CC(N)=C(C)C=C1 F21363 [1,1,0,0,0,0|0,0,2]=4 114 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 L10186 [1,1,0,0,0,0|0,0,2]=4 115 B10R1.28 CC(C)(C)C1=NC=CC=C1 C75774 [1,1,0,0,0,0|1,0,1]=4 116 B10R1.28 CC(C)(C)C1=NC=CN=C1 T70779 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.28 [2H]C(C)(C)C1=CC=CC=C1 D98007 [1,1,0,0,0,0|0,0,2]=4 118 B10R1.61 CC(C)C1=NC=CN=C1Cl AT24532 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.61 CC(C)C1=NC=CN=C1N 60031 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.61 CC(C)C1=NC=CN=C1N W15952 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.61 CC1=C(C(C)C)C=CC=C1 T71005 [1,1,0,0,0,0|0,0,2]=4 122 B10R1.113 CC1=CC=CC(C(C)C)=C1 T71023 [1,1,0,0,0,0|0,0,2]=4 123 B10R1.31 CC(C)C1=CC(CCl)=NN1 AT15955 [0,1,0,0,1,0|2,0,0]=4 124 B10R1.31 CC(C)C1=CC(CN)=NO1 C14917 [0,1,0,0,1,0|2,0,0]=4 125 B10R1.31 CC(C)C1=CN=C(CBr)O1 AT18561 [0,1,0,0,1,0|2,0,0]=4 126 B10R1.31 CC(C)C1=CN=C(CCl)O1 AT18580 [0,1,0,0,1,0|2,0,0]=4 127 B10R1.31 CC(C)C1=NC(CCl)=CO1 AT18627 [0,1,0,0,1,0|2,0,0]=4 128 B10R1.31 CC(C)C1=NC(CO)=CO1 AT18550 [0,1,0,0,1,0|2,0,0]=4 129 B10R1.31 CC(C)C1=NC=C(CN)S1 F20287 [0,1,0,0,1,0|2,0,0]=4 130 B10R1.31 CC(C)N1C=NC(CO)=C1 AT15347 [0,1,0,0,1,0|2,0,0]=4 131 B10R1.55 CN1C=NC(C(C)(C)C)=C1 F52033 [0,1,0,0,1,0|2,0,0]=4 132 B10R1.194 CC1=C(N)N(C(C)C)N=C1 AT11115 [0,1,0,0,1,0|2,0,0]=4 133 B12R1.4 CC(C)SC1=CC=C(CCl)C=C1 AT20997 [0,1,0,0,0,1|0,0,2]=4 134 B12R1.4 CC(C)SC1=CC=C(CO)C=C1 AT20984 [0,1,0,0,0,1|0,0,2]=4 135 B12R1.4 COC1=CC=C(NC(C)C)C=C1 C77952 [0,1,0,0,0,1|0,0,2]=4 136 B12R1.5 CN[C@@H](C)C1=CC=C(OC)C=C1 N12207 [0,2,0,0,0,0|0,0,2]=4 137 B12R1.113 CC(C)C1=CC=C(CCN)C=C1 C13364 [0,2,0,0,0,0|0,0,2]=4 138 B12R1.256 CC(C)C1=CC=C([C@H](C)N)C=C1 AT12994 [0,2,0,0,0,0|0,0,2]=4 139 B12R1.256 CC(C)C1=CC=C([C@H](C)N)C=C1 AT12996 [0,2,0,0,0,0|0,0,2]=4 140 B12R1.256 CC(C)C1=CN=C(C(C)C)C=N1 79604 [0,2,0,0,0,0|2,0,0]=4 141 B12R1.452 COC1=CC(Br)=C(C(C)C)C=C1 E71918 [0,2,0,0,0,0|0,0,2]=4 142 B12R1.452 COC1=CC(F)=C(C(C)C)C=C1 P10295 [0,2,0,0,0,0|0,0,2]=4 143 B12R1.23 CC1=C(F)C=C(C(C)(C)O)C=C1 AT22341 [0,2,0,0,0,0|0,0,2]=4 144 B12R1.23 CC1=C(N)C=C(C(C)(C)C)C=C1 88007 [0,2,0,0,0,0|0,0,2]=4 145 B12R1.12 COC(OC)C1=CC=C(C)C=C1 D76271 [0,2,0,0,0,0|0,0,2]=4 146 B10R2.14 CC1=NC(C2CC2)=CS1 N10117 [0,0,0,1,1,0|2,0,0]=4 147 B10R2.14 CN1C=NC(C2CC2)=C1 P13684 [0,0,0,1,1,0|2,0,0]=4 148 B12R2.9 BrCC1=CC=C(C2CC2)C=C1 51969 [0,1,0,1,0,0|0,0,2]=4 149 B12R2.9 CCC1=CC=C(C2CC2)C=C1 AC8465 [0,1,0,1,0,0|0,0,2]=4 150 B12R2.9 COC1=CC=C(C2CC2)C=C1 F53529 [0,1,0,1,0,0|0,0,2]=4 151 B12R2.9 ClCC1=CC=C(C2CC2)C=C1 P12610 [0,1,0,1,0,0|0,0,2]=4 152 B12R2.9 NCC1=CC=C(C2CC2)C=C1 33490 [0,1,0,1,0,0|0,0,2]=4 153 B12R2.291 CC1=C(N)C=C(C2CC2)C=C1 AC9034 [0,1,0,1,0,0|0,0,2]=4 154 B12R2.1317 CC1=CC(C)=C(C2CC2)C=C1 AC9569 [0,1,0,1,0,0|0,0,2]=4 155 B8R0.23 CC(C)CC(=O)C(C)C T70480 [0,0,1,0,1,0|1,0,1]=4 156 B8R1.1 CC1=CC(CN)=CO1 AT17525 [1,0,0,0,1,0|2,0,0]=4 157 B8R1.1 CC1=CC(CO)=CO1 AT17479 [1,0,0,0,1,0|2,0,0]=4 158 B8R1.1 CC1=CC(CO)=CS1 AT16765 [1,0,0,0,1,0|2,0,0]=4 159 B8R1.1 CC1=COC(CO)=C1 AT17124 [1,0,0,0,1,0|2,0,0]=4 160 B8R1.7 CN(C)C1CC=CC1 F20793 [1,0,0,0,1,0|1,0,1]=4 161 B8R1.7 C[C@H](N)C1=CC=CO1 74860 [1,0,0,0,1,0|2,0,0]=4 162 B8R1.7 C[C@H](N)C1=CC=CO1 F16901 [1,0,0,0,1,0|2,0,0]=4 163 B8R1.7 C[C@H](N)C1=CC=CO1 N12744 [1,0,0,0,1,0|2,0,0]=4 164 B8R1.7 C[C@H](N)C1=COC=C1 AT17538 [1,0,0,0,1,0|2,0,0]=4 165 B8R1.7 C[C@H](N)C1=COC=C1 N16718 [1,0,0,0,1,0|2,0,0]=4 166 B8R1.7 C[C@H](N)C1=CSC=C1 27875 [1,0,0,0,1,0|2,0,0]=4 167 B8R1.7 C[C@H](O)C1=CC=CS1 71923 [1,0,0,0,1,0|2,0,0]=4 168 B8R1.7 C[C@H](O)C1=CC=CS1 AT16382 [1,0,0,0,1,0|2,0,0]=4 169 B8R1.7 C[C@H](O)C1=CC=CS1 AT16384 [1,0,0,0,1,0|2,0,0]=4 170 B8R1.7 C[C@H](O)C1=COC=C1 AT17475 [1,0,0,0,1,0|2,0,0]=4 171 B8R1.7 C[C@H](O)C1=COC=C1 AT17477 [1,0,0,0,1,0|2,0,0]=4 172 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 C78416 [0,0,0,0,0,2|0,0,2]=4