0 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 BB32-3619 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 BB31-5026 [0,0,0,0,0,0|1,0,3]=4 2 B11R1.3 CC(C)C1=NC=C(C=O)C=N1 BB52-2268 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.3 CN(C)C1=NC=C(C=O)C=C1 BB31-2890 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.3 COC1=CC=C(S(C)=O)C=C1 BB32-2118 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.3 CS(=O)C1=CC=C(C#N)C=C1 BB31-7405 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.3 C[C@@H](N)C1=CC=C(C#N)C=C1 BB31-4161 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 BB31-7862 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.3 C[C@H](O)C1=CC=C(C#N)C=C1 BB31-0182 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.3 C#CC1=CC=C(CN)C=C1 BB31-3872 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.3 CCC1=NC=C(C=O)C=N1 BB52-2735 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.3 CSC1=NC=C(C=O)C=N1 BB52-2222 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.3 N#CC1=CN=C(C=O)C=C1 BB31-3850 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.3 O=CC1=NC=C(CO)C=C1 BB32-2057 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.13 CC(C)C1=CC=C(N)N=N1 BB32-3140 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.13 CC(C)C1=NC=C(Br)C=C1 BB31-0706 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.13 CC(C)C1=NN=C(Br)C=C1 BB31-9165 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.13 CC(C)C1=NN=C(Br)C=C1 BB31-9854 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.13 CC(O)C1=CN=C(Cl)C=C1 BB32-1451 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 BB31-5404 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.13 CC1=NC=C(C(C)N)C=C1 BB31-7487 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.13 CN(C)C1=CC=C(I)C=C1 BB12-5133 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.13 CN(C)C1=CN=C(N)C=C1 BB31-7808 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.13 CN(C)C1=NC=C(I)C=C1 BB32-1805 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.13 CN(C)C1=NC=C(N)C=C1 BB32-2424 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 BB31-0481 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.13 C[C@@H](N)C1=CC=C(I)C=C1 BB31-1090 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.13 C[C@@H](N)C1=CC=C(I)C=C1 BB31-2900 [1,0,0,0,0,0|2,0,0]=3 28 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 BB31-5109 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.5 CNC(=O)C1=CC=C(C=O)C=C1 BB31-3351 [0,1,0,0,0,0|1,0,1]=3 30 B12R1.5 COC1=CC=C(C(N)CO)C=C1 BB31-2402 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.5 COC1=CC=C(C(N)CO)C=C1 BB31-9770 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 BB31-4613 [0,1,0,0,0,0|2,0,0]=3 33 B12R1.6 O=CC1=CC=C(S(=O)(=O)O)C=C1 BB32-2495 [0,1,0,0,0,0|3,0,0]=4 34 B12R1.48 COC1=C(F)C=C(C(C)O)C=C1 BB32-3099 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.48 COC1=C(F)C=C([C@@H](C)N)C=C1 BB32-0030 [0,1,0,0,0,0|3,0,0]=4 36 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 BB32-0730 [0,1,0,0,0,0|3,0,0]=4 37 B12R1.48 O=CC1=C(Cl)C=C(B(O)O)C=C1 BB31-7939 [0,1,0,0,0,0|3,0,0]=4 38 B12R1.48 O=CC1=C(Cl)C=C(C(=O)O)C=C1 BB32-3457 [0,1,0,0,0,0|2,0,1]=4 39 B12R1.48 O=CC1=C(Cl)C=C([N+](=O)[O-])C=C1 BB32-2562 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.48 O=CC1=C(O)C=C(C(=O)O)C=C1 BB31-5934 [0,1,0,0,0,0|2,0,1]=4 41 B12R1.113 CN(C)C1=CC=C(CCO)C=C1 BB32-2215 [0,1,0,0,0,0|1,0,2]=4 42 B12R1.256 CC(=O)C1=CC=C(C(F)F)C=C1 BB31-3478 [0,1,0,0,0,0|2,0,0]=3 43 B12R1.256 CC(=O)C1=CC=C(C(N)=O)C=C1 BB31-7498 [0,1,0,0,0,0|1,0,1]=3 44 B12R1.256 CC(C)C1=NC=C(C(=O)O)C=N1 BB52-2339 [0,1,0,0,0,0|2,0,0]=3 45 B12R1.256 CS(=O)C1=CC=C(C(=O)O)C=C1 BB31-5070 [0,1,0,0,0,0|2,0,0]=3 46 B12R1.256 C[C@@H](N)C1=CC=C(C(=O)O)C=C1 BB31-5415 [0,1,0,0,0,0|1,0,0]=2 47 B12R1.256 NC(=S)C1=CC=C(C(=O)O)C=C1 BB32-2828 [0,1,0,0,0,0|2,0,1]=4 48 B12R1.452 CC1=C(C(=O)O)C=CC(C=O)=C1 BB32-2768 [0,1,0,0,0,0|2,0,1]=4 49 B12R1.452 CC1=C(N(C)C)C=CC(C=O)=C1 BB31-8346 [0,1,0,0,0,0|1,0,0]=2 50 B12R1.452 CN(C)C1=C(N)C=C(C#N)C=C1 BB12-6095 [0,1,0,0,0,0|2,0,1]=4 51 B12R1.452 COC1=CC(F)=C([C@H](C)N)C=C1 BB31-0593 [0,1,0,0,0,0|3,0,0]=4 52 B12R2.9 NCC1=CC=C(C2CC2)C=C1 BB31-8846 [0,0,0,1,0,0|1,0,1]=3 53 B12R2.9 O=CC1=CN=C(C2CC2)N=C1 BB52-2736 [0,0,0,1,0,0|2,0,0]=3 54 B10R1.31 CC(C)C1=COC(C=O)=C1 BB32-0360 [0,0,0,0,1,0|1,0,0]=2 55 B10R1.31 CC(C)C1=NC=C(C=O)S1 BB32-1745 [0,0,0,0,1,0|2,0,0]=3 56 B10R1.31 CC(C)N1C=C(C=O)C=N1 BB52-8493 [0,0,0,0,1,0|2,0,0]=3 57 B10R1.31 CC(C)N1C=NC(C=O)=C1 BB32-0823 [0,0,0,0,1,0|2,0,0]=3 58 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 BB31-9902 [0,0,0,0,0,1|1,0,1]=3 59 B12R1.4 CC(C)OC1=CC=C(NN)C=C1 BB31-8459 [0,0,0,0,0,1|2,0,0]=3 60 B12R1.4 CC(C)SC1=NC=C(C=O)C=N1 BB52-2738 [0,0,0,0,0,1|2,0,0]=3 61 B12R1.4 O=CC1=CN=C(OC(F)F)C=C1 BB31-9975 [0,0,0,0,0,1|3,0,0]=4 62 B9R1.1 C=CC1=CC=C(I)C=C1 BB31-4240 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.1 C=CC1=NC=C(C)C=C1 BB32-1317 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.1 CC1=NC=C(C=O)C=N1 BB52-2214 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.1 CCC1=CN=C(N)C=C1 BB31-3880 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.1 O=C1C=CC(CO)=CN1 BB31-8238 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.6 C[C@@H](N)C1=CC=NC=C1 BB31-0181 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.6 C[C@@H](N)C1=NC=CC=C1 BB31-9751 [2,0,0,0,0,0|2,0,0]=4 69 B11R1.83 CCSC1=NC=C(C=O)C=N1 BB52-2269 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.83 COC1=CC=C(CC=O)C=C1 BB32-2943 [1,1,0,0,0,0|1,0,0]=3 71 B11R1.279 CC1=C(C#N)C=CC(C=O)=C1 BB31-4451 [1,1,0,0,0,0|1,0,1]=4 72 B11R1.279 CCC1=CC(O)=C(C=O)C=C1 BB31-3289 [1,1,0,0,0,0|0,0,0]=2 73 B11R1.279 COC1=C(Br)C=C(C=O)C=N1 BB32-3818 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.279 COC1=C(Cl)C=C(C=O)C=N1 BB31-1956 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.279 COC1=C(F)C=C(C=O)C=N1 BB31-8545 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.279 COC1=CC(N)=C(C=O)C=C1 BB32-3011 [1,1,0,0,0,0|1,0,0]=3 77 B11R1.279 COC1=NC(C)=C(C=O)C=C1 BB31-2972 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.279 N#CC1=C(Cl)C=C(C=O)C=C1 BB31-0169 [1,1,0,0,0,0|1,0,1]=4 79 B11R1.279 N#CC1=CC(O)=C(C=O)C=C1 BB31-4713 [1,1,0,0,0,0|1,0,1]=4 80 B11R1.19 CC(C)(C)C1=NC=C(Br)C=C1 BB32-1645 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.19 CC(C)(N)C1=CC=C(Br)C=C1 BB31-3651 [1,1,0,0,0,0|1,0,0]=3 82 B11R1.21 CC1=C(Cl)C=C([C@@H](C)N)C=C1 BB31-5171 [1,1,0,0,0,0|1,0,1]=4 83 B11R1.21 CC1=C(F)C=C([C@@H](C)N)C=C1 BB32-0729 [1,1,0,0,0,0|1,0,1]=4 84 B11R1.21 CC1=C(O)C=CC(C(C)C)=C1 BB31-3415 [1,1,0,0,0,0|0,0,1]=3 85 B11R1.21 C[C@@H](N)C1=CC(Cl)=C(F)C=C1 BB31-1281 [1,1,0,0,0,0|2,0,0]=4 86 B11R1.21 C[C@H](N)C1=CC(Br)=C(F)C=C1 BB32-0130 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.22 CCN(C)C1=CC=C(N)C=C1 BB12-5200 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 BB31-0492 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 BB31-0570 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.22 COC(N)=C1C=CC(=O)C=C1 BB32-3012 [1,1,0,0,0,0|1,0,1]=4 91 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 BB31-4005 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.22 OC(CCl)C1=CC=C(Cl)C=C1 BB32-3014 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.166 CC(N)C1=C(Br)C=C(F)C=C1 BB31-9383 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.166 CC(N)C1=C(F)C=C(Br)C=C1 BB31-9384 [1,1,0,0,0,0|2,0,0]=4 95 B11R1.166 CN(C)C1=C(Br)C=C(I)C=C1 BB12-5134 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.166 C[C@@H](N)C1=C(Br)C=C(F)C=C1 BB32-0675 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.166 C[C@@H](N)C1=C(F)C=C(Br)C=C1 BB31-6706 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.166 C[C@@H](N)C1=C(F)C=C(F)C=C1 BB31-5408 [1,1,0,0,0,0|2,0,0]=4 99 B11R1.166 C[C@@H](N)C1=C(F)C=C(F)C=C1 BB31-6819 [1,1,0,0,0,0|2,0,0]=4 100 B11R1.166 C[C@H](N)C1=C(Br)C=C(F)C=C1 BB31-3159 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.166 C[C@H](N)C1=C(Cl)C=C(F)C=C1 BB32-0603 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.166 C[C@H](N)C1=C(F)C=C(Br)C=C1 BB31-1701 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.166 C[C@H](N)C1=C(F)C=C(F)C=C1 BB31-6720 [1,1,0,0,0,0|2,0,0]=4 104 B11R1.175 CC(C)C1=NOC(C(=O)O)=C1 BB52-8593 [0,1,0,0,1,0|2,0,0]=4 105 B13R1.5 CCC(C)OC1=CC=C(CN)C=C1 BB32-2453 [0,1,0,0,0,1|1,0,1]=4 106 B13R1.36 CCC1=CC=C(C(=O)C(C)C)C=C1 BB32-3871 [0,1,0,0,0,1|1,0,1]=4 107 B13R1.36 COC1=CC=C(C(O)C(C)C)C=C1 BB31-3591 [0,1,0,0,0,1|2,0,0]=4 108 B13R1.585 CC(=O)C1=NC=C(OC(C)C)C=C1 BB31-1392 [0,1,0,0,0,1|1,0,0]=3 109 B13R1.585 CC(C)NC1=CC=C([N+](=O)[O-])C=N1 BB52-5773 [0,1,0,0,0,1|2,0,0]=4 110 B13R1.585 CC(C)SC1=NC=C(C(=O)O)C=N1 BB52-2772 [0,1,0,0,0,1|2,0,0]=4 111 B13R1.585 CN(C)CC1=CC=C(C(=O)O)C=C1 BB31-3681 [0,1,0,0,0,1|1,0,0]=3 112 B13R1.39 CCN(CC)C1=NC=C(C=O)C=C1 BB32-3175 [0,2,0,0,0,0|2,0,0]=4 113 B13R1.95 COC(=O)C1=C(C)C=C(C=O)C=C1 BB32-3838 [0,2,0,0,0,0|1,0,1]=4 114 B13R1.95 COC(=O)C1=C(O)C=C(C=O)C=C1 BB32-1829 [0,2,0,0,0,0|1,0,1]=4 115 B13R1.537 CNC(=O)C1=CC=C(C(=O)O)C=C1 BB32-1729 [0,2,0,0,0,0|1,0,1]=4 116 B13R1.537 COC(=O)C1=CC=C([C@@H](C)N)C=C1 BB31-9152 [0,2,0,0,0,0|1,0,0]=3 117 B13R1.3088 COC(=O)C1=CC(C)=C(C=O)C=C1 BB32-1084 [0,2,0,0,0,0|1,0,1]=4 118 B13R1.38 CS(=O)(=O)C1=CC(F)=C(C=O)C=C1 BB31-1375 [0,2,0,0,0,0|2,0,0]=4 119 B13R1.38 O=CC1=C(O)C=C(C(F)(F)F)C=C1 BB32-3397 [0,2,0,0,0,0|2,0,0]=4 120 B13R1.96 CCC1=CC(O)=C(C(C)(C)C)C=C1 BB31-7645 [0,2,0,0,0,0|1,0,1]=4 121 B13R1.96 CS(=O)(=O)C1=C(Br)C=C(C=O)C=C1 BB31-5769 [0,2,0,0,0,0|2,0,0]=4 122 B13R1.338 CC(C)(C)C1=CN=C(C(=O)O)C=C1 BB31-0103 [0,2,0,0,0,0|1,0,0]=3 123 B13R1.338 CC(C)(O)C1=CC=C(C(=O)O)C=C1 BB31-5830 [0,2,0,0,0,0|0,0,0]=2 124 B13R1.338 CN(C)C1=CC=C(S(N)(=O)=O)C=C1 BB32-3497 [0,2,0,0,0,0|2,0,0]=4 125 B13R1.120 CC(=O)C1=C(O)C=C(N(C)C)C=C1 BB31-9896 [0,2,0,0,0,0|1,0,0]=3 126 B13R1.120 CC(C)C1=C(I)C=C(C(=O)O)C=C1 BB31-7126 [0,2,0,0,0,0|0,0,0]=2 127 B13R1.120 CC(C)C1=NC=C(C(=O)O)C(=O)N1 BB52-2230 [0,2,0,0,0,0|2,0,0]=4 128 B13R1.120 CC1=C(C(=O)O)C=NC(C(C)C)=N1 BB52-2239 [0,2,0,0,0,0|2,0,0]=4 129 B13R1.120 CN(C)C1=C(N)C=C(C(N)=O)C=C1 BB12-6092 [0,2,0,0,0,0|1,0,0]=3 130 B13R1.120 CN(C)C1=NC=C(C(=O)O)C=C1N BB51-3027 [0,2,0,0,0,0|2,0,0]=4 131 B13R1.120 O=C(O)C1=CC(Br)=C(C(F)F)C=C1 BB31-8226 [0,2,0,0,0,0|2,0,0]=4 132 B11R1.159 CC(C)C1=CC=CC(F)=C1N BB31-1571 [0,0,1,1,0,0|2,0,0]=4 133 B11R2.190 O=CC1=CC2=C(C=C1)CC2 BB31-8398 [1,0,0,1,0,0|0,0,0]=2 134 B11R2.34 NC1=CN=C(C2CC2)C=C1 BB31-0704 [1,0,0,1,0,0|2,0,0]=4 135 B11R2.34 O=C1C=CC(C2CC2)=CN1 BB31-0705 [1,0,0,1,0,0|1,0,0]=3 136 B11R2.21 O=CC1=CC(C2CC2)=NN1 BB05-4549 [0,0,0,1,1,0|2,0,0]=4 137 B11R2.21 O=CC1=CN(C2CC2)N=C1 BB31-9108 [0,0,0,1,1,0|2,0,0]=4 138 B11R2.21 O=CC1=CN=C(C2CC2)S1 BB31-6550 [0,0,0,1,1,0|2,0,0]=4 139 B13R2.2121 CC1=NC2=C(C=CC(C=O)=C2)S1 BB31-3930 [0,0,0,1,0,1|1,0,1]=4 140 B13R2.2121 CN1C=C2C=C(C=O)C=CC2=N1 BB31-1582 [0,0,0,1,0,1|1,0,1]=4 141 B13R2.186 COC1=CC=C(C2(N)CC2)C=C1 BB31-9153 [0,1,0,1,0,0|2,0,0]=4 142 B13R2.186 N#CC1=CC=C(C2(N)CC2)C=C1 BB31-2049 [0,1,0,1,0,0|1,0,1]=4 143 B13R2.2130 CN1C=CC2=CC(C=O)=CC=C21 BB52-5960 [0,1,0,1,0,0|1,0,1]=4 144 B13R2.2130 CN1N=NC2=C1C=CC(C=O)=C2 BB32-2426 [0,1,0,1,0,0|2,0,0]=4 145 B13R2.2130 O=CC1=CC2=C(C=C1)C(=O)NC2 BB31-4881 [0,1,0,1,0,0|1,0,1]=4 146 B13R2.428 CC(=O)C1=CC=C(C2CC2)C=C1 BB32-3751 [0,1,0,1,0,0|0,0,0]=2 147 B13R2.428 O=C(O)C1=CN=C(C2CC2)N=C1 BB52-2760 [0,1,0,1,0,0|2,0,0]=4 148 B9R1.21 CCC1=NOC(C=O)=C1 BB32-3690 [1,0,0,0,1,0|2,0,0]=4 149 B11R1.20 CC(C)CC1=CC=C(N)C=C1 BB32-1078 [1,0,0,0,0,1|1,0,0]=3 150 B11R1.20 CC(C)OC1=CN=C(Cl)C=C1 BB31-9408 [1,0,0,0,0,1|2,0,0]=4 151 B11R1.20 CC(C)OC1=NC=C(N)C=C1 BB32-2377 [1,0,0,0,0,1|2,0,0]=4 152 B11R1.20 CC(C)SC1=CC=C(Cl)C=C1 BB31-6923 [1,0,0,0,0,1|1,0,0]=3 153 B11R1.266 CN(C)C1=CC=CC(C=O)=C1 BB32-3127 [0,0,0,0,1,1|1,0,0]=3