0 B12R1.256 CC(=O)C1=CC=C(C(F)F)C=C1 BB31-3478 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.256 CC(=O)C1=CC=C(C(N)=O)C=C1 BB31-7498 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.256 CC(C)C1=NC=C(C(=O)O)C=N1 BB52-2339 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.256 CS(=O)C1=CC=C(B(O)O)C=C1 BB31-3318 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.256 CS(=O)C1=CC=C(C(=O)O)C=C1 BB31-5070 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.256 C[C@@H](N)C1=CC=C(C(=O)O)C=C1 BB31-5415 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.256 NC(=S)C1=CC=C(C(=O)O)C=C1 BB32-2828 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 BB32-3619 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 BB31-5026 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.3 CC(C)C1=NC=C(C=O)C=N1 BB52-2268 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.3 CCC1=NC=C(C(=O)O)C=N1 BB52-2759 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.3 CN(C)C1=NC=C(C=O)C=C1 BB31-2890 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.3 CNC1=NC=C(C(=O)O)C=C1 BB31-4402 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.3 CNC1=NC=C(C(N)=O)C=C1 BB32-3557 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.3 COC1=CC=C(S(C)=O)C=C1 BB32-2118 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.3 COC1=CN=C(C(C)=O)C=N1 BB32-1991 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.3 CS(=O)C1=CC=C(C#N)C=C1 BB31-7405 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.3 C[C@@H](N)C1=CC=C(C#N)C=C1 BB31-4161 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 BB31-7862 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.3 C[C@H](O)C1=CC=C(C#N)C=C1 BB31-0182 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 BB31-5217 [1,0,0,0,0,0|3,0,0]=4 21 B13R1.120 CC(=O)C1=C(C)C=C([N+](=O)[O-])C=C1 BB32-3930 [0,1,0,0,0,0|3,0,0]=4 22 B13R1.120 CC(=O)C1=C(O)C=C(N(C)C)C=C1 BB31-9896 [0,1,0,0,0,0|1,0,0]=2 23 B13R1.120 CC(C)C1=C(I)C=C(C(=O)O)C=C1 BB31-7126 [0,1,0,0,0,0|1,0,0]=2 24 B13R1.120 CC(C)C1=NC=C(C(=O)O)C(=O)N1 BB52-2230 [0,1,0,0,0,0|3,0,0]=4 25 B13R1.120 CC1=C(C(=O)O)C=NC(C(C)C)=N1 BB52-2239 [0,1,0,0,0,0|3,0,0]=4 26 B13R1.120 CN(C)C1=C(N)C=C(C(N)=O)C=C1 BB12-6092 [0,1,0,0,0,0|2,0,0]=3 27 B13R1.120 CN(C)C1=NC=C(C(=O)O)C=C1N BB51-3027 [0,1,0,0,0,0|3,0,0]=4 28 B13R1.120 O=C(O)C1=CC(Br)=C(C(F)F)C=C1 BB31-8226 [0,1,0,0,0,0|3,0,0]=4 29 B13R1.338 CC(=O)C1=NC=C(C(F)(F)F)C=C1 BB31-4305 [0,1,0,0,0,0|3,0,0]=4 30 B13R1.338 CC(C)(C)C1=CN=C(C(=O)O)C=C1 BB31-0103 [0,1,0,0,0,0|2,0,0]=3 31 B13R1.338 CC(C)(O)C1=CC=C(C(=O)O)C=C1 BB31-5830 [0,1,0,0,0,0|1,0,0]=2 32 B13R1.338 CN(C)C1=CC=C(S(N)(=O)=O)C=C1 BB32-3497 [0,1,0,0,0,0|3,0,0]=4 33 B13R1.537 CNC(=O)C1=CC=C(C(=O)O)C=C1 BB32-1729 [0,1,0,0,0,0|2,0,1]=4 34 B13R1.537 COC(=O)C1=CC=C(C(N)=S)C=C1 BB31-6815 [0,1,0,0,0,0|2,0,1]=4 35 B13R1.537 COC(=O)C1=CC=C([C@@H](C)N)C=C1 BB31-9152 [0,1,0,0,0,0|1,0,0]=2 36 B13R2.428 CC(=O)C1=CC=C(C2CC2)C=C1 BB32-3751 [0,0,0,1,0,0|0,0,0]=1 37 B13R2.428 O=C(O)C1=CN=C(C2CC2)N=C1 BB52-2760 [0,0,0,1,0,0|3,0,0]=4 38 B11R1.175 CC(C)C1=NOC(C(=O)O)=C1 BB52-8593 [0,0,0,0,1,0|3,0,0]=4 39 B13R1.585 CC(=O)C1=NC=C(OC(C)C)C=C1 BB31-1392 [0,0,0,0,0,1|1,0,0]=2 40 B13R1.585 CC(C)NC1=CC=C([N+](=O)[O-])C=N1 BB52-5773 [0,0,0,0,0,1|3,0,0]=4 41 B13R1.585 CC(C)SC1=NC=C(C(=O)O)C=N1 BB52-2772 [0,0,0,0,0,1|3,0,0]=4 42 B13R1.585 CN(C)C1=CC=C(CC(=O)O)C=C1 BB31-5854 [0,0,0,0,0,1|2,0,0]=3 43 B13R1.585 CN(C)CC1=CC=C(C(=O)O)C=C1 BB31-3681 [0,0,0,0,0,1|2,0,0]=3 44 B10R1.3 CCC1=NC=C(C=O)C=N1 BB52-2735 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.3 O=CC1=NC=C(CO)C=C1 BB32-2057 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.13 CC(=O)C1=CN=C(C)N=C1 BB31-2353 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.13 CC(=O)C1=CN=C(N)C=C1 BB31-3878 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.13 CC(=O)C1=NC=C(O)C=C1 BB32-3774 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.13 CC(C)C1=NC=C(Br)C=C1 BB31-0706 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 BB31-5404 [2,0,0,0,0,0|1,0,0]=3 51 B10R1.13 CC1=NC=C(C(C)N)C=C1 BB31-7487 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.13 CN(C)C1=CC=C(I)C=C1 BB12-5133 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 BB31-0481 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.13 C[C@@H](N)C1=CC=C(I)C=C1 BB31-1090 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.13 C[C@@H](N)C1=CC=C(I)C=C1 BB31-2900 [2,0,0,0,0,0|2,0,0]=4 56 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 BB31-5109 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.5 CNC(=O)C1=CC=C(C=O)C=C1 BB31-3351 [1,1,0,0,0,0|1,0,1]=4 58 B12R1.5 COC(=O)C1=CN=C(CCl)C=C1 BB31-7659 [1,1,0,0,0,0|2,0,0]=4 59 B12R1.5 COC(=O)C1=CN=C(CN)C=C1 BB31-9073 [1,1,0,0,0,0|2,0,0]=4 60 B12R1.5 COC(=O)C1=NC=C(CBr)C=C1 BB31-4912 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.5 COC(=O)C1=NC=C(CN)C=C1 BB31-9857 [1,1,0,0,0,0|2,0,0]=4 62 B12R1.5 COC(=O)C1=NC=C(CO)C=C1 BB32-2012 [1,1,0,0,0,0|2,0,0]=4 63 B12R1.5 COC1=CC=C(C(N)CO)C=C1 BB31-2402 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.5 COC1=CC=C(C(N)CO)C=C1 BB31-9770 [1,1,0,0,0,0|2,0,0]=4 65 B12R1.5 N#CC1=CC=C(C(=O)CCl)C=C1 BB32-1845 [1,1,0,0,0,0|1,0,1]=4 66 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 BB31-4613 [1,1,0,0,0,0|1,0,0]=3 67 B12R1.48 CCC1=C(Cl)C=C([N+](=O)[O-])C=C1 BB32-1667 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.48 COC1=C(F)C=C(C(C)O)C=C1 BB32-3099 [1,1,0,0,0,0|2,0,0]=4 69 B12R1.48 COC1=C(F)C=C([C@@H](C)N)C=C1 BB32-0030 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 BB32-0730 [1,1,0,0,0,0|2,0,0]=4 71 B12R1.113 CCOC1=CC=C(C(N)=S)C=C1 BB31-5929 [1,1,0,0,0,0|1,1,0]=4 72 B12R1.113 CCSC1=CC=C(C(=O)O)C=C1 BB31-1917 [1,1,0,0,0,0|1,0,0]=3 73 B12R1.113 CN(C)C1=CC=C(CCO)C=C1 BB32-2215 [1,1,0,0,0,0|1,0,1]=4 74 B12R1.452 CC1=C(N(C)C)C=CC(C=O)=C1 BB31-8346 [1,1,0,0,0,0|1,0,0]=3 75 B12R1.452 COC1=CC(C)=C(C(C)=O)C=C1 BB32-1464 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.452 COC1=CC(F)=C([C@H](C)N)C=C1 BB31-0593 [1,1,0,0,0,0|2,0,0]=4 77 B14R1.717 CC(C)CC1=CC=C(C(C)CO)C=C1 BB32-1310 [0,1,0,0,0,1|0,0,2]=4 78 B14R1.747 COC(=O)C1=CC(N)=C(N(C)C)C=C1 BB12-6188 [0,2,0,0,0,0|1,0,0]=3 79 B14R1.4227 CC(=O)C1=C(O)C=C(C(F)(F)F)C=C1 BB32-1128 [0,2,0,0,0,0|2,0,0]=4 80 B14R1.4227 CC(C)(C)C1=CC(Br)=C(C(=O)O)C=C1 BB32-3307 [0,2,0,0,0,0|1,0,0]=3 81 B14R1.4227 CC(C)(C)C1=CC(O)=C(C(=O)O)C=C1 BB32-2527 [0,2,0,0,0,0|1,0,0]=3 82 B14R1.15547 CN(C)C1=C(N)C=C(C(=O)O)C=C1Cl BB12-6989 [0,2,0,0,0,0|2,0,0]=4 83 B14R1.15547 CN(C)C1=C(N)C=C(C(N)=O)C=C1Cl BB12-7015 [0,2,0,0,0,0|2,0,0]=4 84 B14R1.719 NCC(=O)C1=CC=C(C(F)(F)F)C=C1 BB31-8005 [0,2,0,0,0,0|2,0,0]=4 85 B12R2.9 NCC1=CC=C(C2CC2)C=C1 BB31-8846 [1,0,0,1,0,0|1,0,1]=4 86 B12R2.9 O=CC1=CN=C(C2CC2)N=C1 BB52-2736 [1,0,0,1,0,0|2,0,0]=4 87 B14R2.601 CC(C)C1=CC=C2N=C(N)SC2=C1 BB52-5393 [0,0,0,1,0,1|1,1,0]=4 88 B14R2.601 CC(C)C1=CC=C2OC(N)=NC2=C1 BB17-0754 [0,0,0,1,0,1|2,0,0]=4 89 B14R2.5719 CC(=O)C1=CC2=C(C=C1)N(C)N=C2 BB31-0696 [0,1,0,1,0,0|1,0,1]=4 90 B14R2.964 COC(=O)C1=CC=C(C2CC2)C=C1 BB31-2846 [0,1,0,1,0,0|0,0,0]=2 91 B10R1.31 CC(C)C1=COC(C=O)=C1 BB32-0360 [1,0,0,0,1,0|1,0,0]=3 92 B10R1.31 CC(C)C1=NC=C(C=O)S1 BB32-1745 [1,0,0,0,1,0|2,0,0]=4 93 B10R1.31 CC(C)N1C=C(C=O)C=N1 BB52-8493 [1,0,0,0,1,0|2,0,0]=4 94 B10R1.31 CC(C)N1C=NC(C=O)=C1 BB32-0823 [1,0,0,0,1,0|2,0,0]=4 95 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 BB32-0934 [1,0,0,0,0,1|1,0,0]=3 96 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 BB32-1158 [1,0,0,0,0,1|1,0,0]=3 97 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 BB31-9902 [1,0,0,0,0,1|1,0,1]=4 98 B12R1.4 CC(C)OC1=CC=C(NN)C=C1 BB31-8459 [1,0,0,0,0,1|2,0,0]=4 99 B12R1.4 CC(C)SC1=NC=C(C=O)C=N1 BB52-2738 [1,0,0,0,0,1|2,0,0]=4 100 B12R1.258 CC(=O)C1=CC(C(C)C)=CC=C1 BB32-2095 [0,0,0,0,1,1|0,0,0]=2 101 B12R1.258 CC(C)C1=CC(C(=O)O)=CN=C1 BB31-7034 [0,0,0,0,1,1|1,0,0]=3 102 B12R1.258 CN(C)C1=NC=CC(C(=O)O)=C1 BB51-1894 [0,0,0,0,1,1|2,0,0]=4