0 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 BB32-0934 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 BB32-1158 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.4 COC1=CN=C(CC(=O)O)C=C1 BB32-0118 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.20 CC(=O)NC1=NC=C(I)C=C1 BB32-3681 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.20 CC(C)CC1=CC=C(N)C=C1 BB32-1078 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 BB32-3859 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.20 NC(=O)CC1=NC=C(Br)C=C1 BB31-9657 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 BB31-0029 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 BB31-0032 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.83 COC1=CC=C(CC=O)C=C1 BB32-2943 [1,0,0,0,0,0|0,0,0]=1 10 B11R1.83 COC1=CC=C(CNO)C=C1 BB32-2374 [1,0,0,0,0,0|1,0,1]=3 11 B11R1.83 COC1=CN=C(CC#N)C=C1 BB32-1219 [1,0,0,0,0,0|2,0,1]=4 12 B13R1.5 CCC(=O)NC1=CC=C(OC)C=C1 BB31-4450 [0,1,0,0,0,0|1,0,0]=2 13 B13R1.5 COC(=O)CC1=CC=C(CN)C=C1 BB31-7322 [0,1,0,0,0,0|2,0,0]=3 14 B13R1.36 COC1=CC=C(C(O)C(C)C)C=C1 BB31-3591 [0,1,0,0,0,0|1,0,1]=3 15 B13R1.585 CN(C)C1=CC=C(CC(=O)O)C=C1 BB31-5854 [0,1,0,0,0,0|2,0,0]=3 16 B13R1.653 COC1=CC(N)=C(NC(C)=O)C=C1 BB12-7661 [0,1,0,0,0,0|1,0,0]=2 17 B13R2.2121 COC1=CC2=C(C=C1)C=C(C)N2 BB32-0430 [0,0,0,1,0,0|1,0,1]=3 18 B13R2.2121 COC1=CC2=C(C=C1)CC(=O)N2 BB31-6945 [0,0,0,1,0,0|1,0,0]=2 19 B13R2.2121 COC1=CC2=C(C=C1)SC(Br)=N2 BB32-1420 [0,0,0,1,0,0|3,0,0]=4 20 B13R2.2121 COC1=CC=C2N=C(N)OC2=C1 BB17-2696 [0,0,0,1,0,0|2,0,1]=4 21 B13R2.2121 COC1=CC=C2OC(S)=NC2=C1 BB52-8667 [0,0,0,1,0,0|2,1,0]=4 22 B13R2.2121 COC1=NC=C2NC(C)=CC2=C1 BB31-8891 [0,0,0,1,0,0|3,0,0]=4 23 B13R2.2121 N#CC1=CC2=C(C=C1)CC(=O)N2 BB31-3899 [0,0,0,1,0,0|3,0,0]=4 24 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 BB32-3619 [0,0,0,0,1,0|2,0,0]=3 25 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 BB31-5026 [0,0,0,0,1,0|2,0,0]=3 26 B11R1.3 CNC1=NC=C(C(=O)O)C=C1 BB31-4402 [0,0,0,0,1,0|3,0,0]=4 27 B11R1.3 CNC1=NC=C(C(N)=O)C=C1 BB32-3557 [0,0,0,0,1,0|3,0,0]=4 28 B11R1.3 COC1=CC=C(S(C)=O)C=C1 BB32-2118 [0,0,0,0,1,0|1,0,0]=2 29 B11R1.3 COC1=CN=C(C(=N)N)C=C1 BB31-9081 [0,0,0,0,1,0|3,0,0]=4 30 B11R1.3 COC1=CN=C(C(C)=O)C=N1 BB32-1991 [0,0,0,0,1,0|2,0,0]=3 31 B11R1.3 COC1=NC=C(C(=O)O)C=N1 BB31-7958 [0,0,0,0,1,0|3,0,0]=4 32 B11R1.3 CS(=O)C1=CC=C(C#N)C=C1 BB31-7405 [0,0,0,0,1,0|3,0,0]=4 33 B13R1.3 COC1=CC=C(C#CC(=O)O)C=C1 BB32-1274 [0,0,0,0,0,1|1,0,1]=3 34 B13R1.3 NC(=O)COC1=CC=C(CO)C=C1 BB12-5382 [0,0,0,0,0,1|3,0,0]=4 35 B10R1.1 C=CCC1=CC=C(O)C=C1 BB31-5055 [2,0,0,0,0,0|0,0,1]=3 36 B10R1.1 CSCC1=CC=C(F)C=C1 BB32-3225 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.18 CC(=O)CC1=CN=CC=C1 BB32-2986 [2,0,0,0,0,0|1,0,0]=3 38 B12R1.19 CC(=O)CC1=CC(Cl)=C(Cl)C=C1 BB31-5747 [1,1,0,0,0,0|1,0,0]=3 39 B12R1.20 CC(C(=O)O)C1=CC=C(Br)C=C1 BB32-2376 [1,1,0,0,0,0|2,0,0]=4 40 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 BB32-3174 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.20 CC1=CC=C([C@@H](N)C(C)C)C=C1 BB32-0151 [1,1,0,0,0,0|1,0,1]=4 42 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 BB32-0141 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.20 O=C(O)C(=O)C1=CC=C(O)C=C1 BB31-2963 [1,1,0,0,0,0|1,0,1]=4 44 B12R1.49 CCC(=O)CC1=CC=C(C)C=C1 BB31-5466 [1,1,0,0,0,0|0,0,0]=2 45 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 BB31-6129 [1,1,0,0,0,0|1,0,1]=4 46 B12R1.233 CC(=O)NC1=C(I)C=C(Br)C=C1 BB32-2538 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.233 NC1=C(CC(=O)O)C=CC(Cl)=C1 BB31-3653 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.233 O=C(O)CC1=C(Br)C=C(O)C=C1 BB31-6426 [1,1,0,0,0,0|1,0,0]=3 49 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 BB31-5109 [1,1,0,0,0,0|0,0,1]=3 50 B12R1.5 COC1=CC=C(C(N)CO)C=C1 BB31-2402 [1,1,0,0,0,0|0,0,2]=4 51 B12R1.5 COC1=CC=C(C(N)CO)C=C1 BB31-9770 [1,1,0,0,0,0|0,0,2]=4 52 B12R1.71 CCOCC1=CC=C(OC)C=C1 BB32-2498 [1,1,0,0,0,0|0,0,1]=3 53 B12R1.288 COC1=C(Cl)C=C(CC#N)C=C1 BB31-6892 [1,1,0,0,0,0|1,0,1]=4 54 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 BB31-4613 [0,1,0,0,1,0|1,0,1]=4 55 B12R1.48 COC1=C(F)C=C(C(C)O)C=C1 BB32-3099 [0,1,0,0,1,0|0,0,2]=4 56 B12R1.48 COC1=C(F)C=C([C@@H](C)N)C=C1 BB32-0030 [0,1,0,0,1,0|1,0,1]=4 57 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 BB32-0730 [0,1,0,0,1,0|1,0,1]=4 58 B12R1.256 CC(=O)C1=CC=C(C(F)F)C=C1 BB31-3478 [0,1,0,0,1,0|2,0,0]=4 59 B12R1.256 CC(=O)C1=CC=C(C(N)=O)C=C1 BB31-7498 [0,1,0,0,1,0|2,0,0]=4 60 B12R1.256 CS(=O)C1=CC=C(C(=O)O)C=C1 BB31-5070 [0,1,0,0,1,0|1,1,0]=4 61 B12R1.256 C[C@@H](N)C1=CC=C(C(=O)O)C=C1 BB31-5415 [0,1,0,0,1,0|2,0,0]=4 62 B12R1.452 COC1=CC(C)=C(C(C)=O)C=C1 BB32-1464 [0,1,0,0,1,0|0,0,0]=2 63 B12R1.452 COC1=CC(Cl)=C(C(=O)O)C=N1 BB31-9469 [0,1,0,0,1,0|2,0,0]=4 64 B12R1.452 COC1=CC(F)=C([C@H](C)N)C=C1 BB31-0593 [0,1,0,0,1,0|1,0,1]=4 65 B12R1.452 COC1=NC(N)=C(C(=O)O)C=C1 BB31-1357 [0,1,0,0,1,0|2,0,0]=4 66 B14R1.3 C=C(C)C(=O)NC1=CC=C(OC)C=C1 BB31-7080 [0,1,0,0,0,1|1,0,1]=4 67 B14R1.5 COC(=O)C#CC1=CC=C(OC)C=C1 BB31-7091 [0,1,0,0,0,1|0,0,1]=3 68 B14R1.5 COC(=O)CCC1=CC=C(C#N)C=C1 BB31-6898 [0,1,0,0,0,1|2,0,0]=4 69 B14R1.5 COC(=O)COC1=CC=C(C=O)C=C1 BB12-5455 [0,1,0,0,0,1|2,0,0]=4 70 B14R1.5 COC(=O)COC1=CC=C(CO)C=C1 BB12-5454 [0,1,0,0,0,1|2,0,0]=4 71 B14R1.103 COC1=CC(F)=C(\C=C\C(=O)O)C=C1 BB31-7015 [0,1,0,0,0,1|1,0,1]=4 72 B14R1.142 CCOC1=CC=C(OCC(=O)Cl)C=C1 BB12-5426 [0,1,0,0,0,1|1,0,0]=3 73 B14R1.142 CCOC1=CC=C(OCC(=O)O)C=C1 BB12-5425 [0,1,0,0,0,1|1,0,0]=3 74 B14R1.142 CCOC1=CC=C(OCC(N)=O)C=C1 BB12-5427 [0,1,0,0,0,1|1,0,0]=3 75 B14R1.419 CC(=O)CCC1=CC=C([N+](=O)[O-])C=C1 BB31-4623 [0,1,0,0,0,1|2,0,0]=4 76 B14R1.419 CC(=O)NCC1=CC=C(B(O)O)C=C1 BB31-6770 [0,1,0,0,0,1|2,0,0]=4 77 B14R1.419 CC(=O)NCC1=CC=C(C(=O)O)C=C1 BB31-9269 [0,1,0,0,0,1|2,0,0]=4 78 B14R1.419 CC(=O)OCC1=CC=C(B(O)O)C=C1 BB32-1396 [0,1,0,0,0,1|2,0,0]=4 79 B14R1.3653 COC1=C(O)C=C(CCC(=O)O)C=C1 BB31-8944 [0,1,0,0,0,1|1,0,0]=3 80 B14R1.954 CCOC(=O)CC1=CC=C(C=O)C=C1 BB32-2792 [0,2,0,0,0,0|2,0,0]=4 81 B14R1.3714 CCC(=O)NC1=C(N)C=C(OC)C=C1 BB12-7662 [0,2,0,0,0,0|1,0,0]=3 82 B14R1.12535 COC1=C(F)C=C(CC(=O)O)C=C1F BB31-5753 [0,2,0,0,0,0|1,0,0]=3 83 B14R1.68 CC(=O)NC1=CC=C(OCCBr)C=C1 BB32-3608 [0,2,0,0,0,0|1,0,0]=3 84 B14R1.101 COC1=CC(C#N)=C(CC(=O)O)C=C1 BB32-2596 [0,2,0,0,0,0|1,0,0]=3 85 B12R1.440 COC1=CC=CC(C(C)=O)=C1N BB32-1938 [0,0,1,1,0,0|1,0,1]=4 86 B12R1.440 COC1=CC=CC(C(C)=O)=C1O BB31-6997 [0,0,1,1,0,0|1,0,1]=4 87 B12R2.606 CC1=CC2=C(C=C(O)C=C2)N1 BB32-2243 [1,0,0,1,0,0|1,0,1]=4 88 B12R2.606 CC1=CC2=C(C=C1)C=C(C)N2 BB32-3305 [1,0,0,1,0,0|1,0,1]=4 89 B12R2.606 CC1=CC2=C(C=C1)NC(=O)S2 BB32-2400 [1,0,0,1,0,0|2,0,0]=4 90 B12R2.606 CC1=CC2=C(CC(=O)N2)N=C1 BB31-0765 [1,0,0,1,0,0|2,0,0]=4 91 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)C1 BB31-4851 [1,0,0,1,0,0|1,0,0]=3 92 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)O1 BB31-3316 [1,0,0,1,0,0|2,0,0]=4 93 B12R2.44 COC1=CC2=C(C=C1)CNC2 BB31-1763 [1,0,0,1,0,0|1,0,0]=3 94 B12R2.44 COC1=CC2=C(C=C1)OC=N2 BB31-1933 [1,0,0,1,0,0|2,0,0]=4 95 B12R2.44 COC1=CC2=C(C=C1)SC=C2 BB31-3820 [1,0,0,1,0,0|1,0,1]=4 96 B12R2.44 COC1=CC2=C(C=CS2)C=C1 BB31-7406 [1,0,0,1,0,0|0,1,1]=4 97 B14R2.134 COC1=CC2=C(C=C1)N=CC(=O)N2 BB32-2749 [0,0,0,1,0,1|1,0,1]=4 98 B14R2.134 COC1=CC2=C(C=C1)OCC(N)C2 BB32-1229 [0,0,0,1,0,1|1,0,1]=4 99 B14R2.134 COC1=CC2=NC(C)=CC=C2C=C1 BB32-0537 [0,0,0,1,0,1|1,0,1]=4 100 B14R2.2332 COC1=CC2=C(C=C1)CC(N)CC2 BB32-1894 [0,1,0,1,0,0|1,0,1]=4 101 B14R2.2332 COC1=CC2=C(C=C1)OC(=O)CC2 BB31-4131 [0,1,0,1,0,0|1,0,0]=3 102 B14R2.3274 COC1=CC2=C(C=C1)NC(C)=C2C BB31-6660 [0,1,0,1,0,0|2,0,0]=4 103 B14R2.3304 COC1=CC2=C(C=C1)C=C(C=O)S2 BB31-9501 [0,1,0,1,0,0|1,0,1]=4 104 B14R2.3304 COC1=CC2=C(C=C1)NC(C=O)=C2 BB31-8142 [0,1,0,1,0,0|1,0,1]=4 105 B14R2.3304 COC1=CC2=C(C=C1)OC(C=O)=C2 BB31-4207 [0,1,0,1,0,0|1,0,1]=4 106 B14R2.3304 COC1=CC2=C(C=C1)SC(C=O)=C2 BB32-3355 [0,1,0,1,0,0|1,0,1]=4 107 B14R2.3304 COC1=CC=C2NC(CN)=NC2=C1 BB52-9228 [0,1,0,1,0,0|2,0,0]=4 108 B14R2.3304 COC1=CC=C2NC(CO)=NC2=C1 BB52-9275 [0,1,0,1,0,0|2,0,0]=4 109 B14R2.3304 COC1=CC=C2OC(CN)=NC2=C1 BB52-8523 [0,1,0,1,0,0|2,0,0]=4 110 B14R2.3304 COC1=CC=C2OC(SC)=NC2=C1 BB52-8671 [0,1,0,1,0,0|2,0,0]=4 111 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OC=C2 BB31-5580 [0,1,0,1,0,0|1,0,1]=4 112 B14R2.6400 CCOC1=CC2=C(C=C1)NC(=O)S2 BB31-6952 [0,1,0,1,0,0|2,0,0]=4 113 B10R1.13 CC(=O)C1=CN=C(C)N=C1 BB31-2353 [1,0,0,0,1,0|2,0,0]=4 114 B10R1.13 CC(=O)C1=CN=C(N)C=C1 BB31-3878 [1,0,0,0,1,0|2,0,0]=4 115 B10R1.13 CC(=O)C1=NC=C(O)C=C1 BB32-3774 [1,0,0,0,1,0|1,0,0]=3 116 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 BB31-5404 [1,0,0,0,1,0|1,0,0]=3 117 B10R1.31 COC1=CC=C(C(=O)O)S1 BB31-4536 [0,0,0,0,2,0|2,0,0]=4 118 B12R1.21 CC1=CC=C(C#CC(=O)O)C=C1 BB31-7651 [1,0,0,0,0,1|1,0,1]=4 119 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 BB12-5413 [1,0,0,0,0,1|2,0,0]=4 120 B12R1.21 NC(=O)CCC1=CC=C(O)C=C1 BB31-8097 [1,0,0,0,0,1|1,0,0]=3 121 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BB12-5412 [1,0,0,0,0,1|2,0,0]=4 122 B12R1.438 COC1=CC=CC(CC(=O)O)=N1 BB31-5579 [0,0,0,0,1,1|2,0,0]=4