0 B11R1.83 COC1=CC=C(CC=O)C=C1 BB32-2943 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.83 COC1=CC=C(CNO)C=C1 BB32-2374 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.83 COC1=CN=C(CC#N)C=C1 BB32-1219 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.83 N#CCC1=CC=C(CO)C=C1 BB31-2817 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.1 C=CCC1=CC=C(O)C=C1 BB31-5055 [1,0,0,0,0,0|0,0,0]=1 5 B10R1.1 CC1=CC=C(SCCl)C=C1 BB31-6111 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.1 CC1=CN=C(CC#N)C=C1 BB32-2135 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.1 CC1=NC=C(CCO)C=C1 BB31-0061 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.1 CSCC1=CC=C(F)C=C1 BB32-3225 [1,0,0,0,0,0|2,0,1]=4 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 C#CC1=CN=C(OC)C=C1 BB32-3693 [1,0,0,0,0,0|1,0,2]=4 11 B10R1.3 COC1=NC=C(CO)C=N1 BB31-0672 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.3 COC1=NN=C(CO)C=C1 BB31-8490 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.4 COC1=CN=C(CC(=O)O)C=C1 BB32-0118 [0,1,0,0,0,0|2,0,0]=3 14 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 BB31-5109 [0,1,0,0,0,0|0,0,2]=3 15 B12R1.5 COC1=CC=C(C(N)CO)C=C1 BB31-2402 [0,1,0,0,0,0|1,0,1]=3 16 B12R1.5 COC1=CC=C(C(N)CO)C=C1 BB31-9770 [0,1,0,0,0,0|1,0,1]=3 17 B12R1.71 C=CCOC1=CC=C(C#N)C=C1 BB12-5337 [0,1,0,0,0,0|2,0,0]=3 18 B12R1.71 CCOCC1=CC=C(OC)C=C1 BB32-2498 [0,1,0,0,0,0|0,0,2]=3 19 B12R1.113 CN(C)C1=CC=C(CCO)C=C1 BB32-2215 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.288 COC1=C(Cl)C=C(CC#N)C=C1 BB31-6892 [0,1,0,0,0,0|1,0,1]=3 21 B12R2.44 COC1=CC2=C(C=C1)CNC2 BB31-1763 [0,0,0,1,0,0|1,0,1]=3 22 B12R2.44 COC1=CC2=C(C=C1)OC=N2 BB31-1933 [0,0,0,1,0,0|2,0,0]=3 23 B12R2.44 COC1=CC2=C(C=C1)SC=C2 BB31-3820 [0,0,0,1,0,0|1,0,0]=2 24 B12R2.44 COC1=CC2=C(C=CS2)C=C1 BB31-7406 [0,0,0,1,0,0|1,0,1]=3 25 B12R2.44 COC1=NC2=C(C=C1)NN=C2 BB32-2677 [0,0,0,1,0,0|3,0,0]=4 26 B12R2.44 COC1=NC2=C(C=CN2)C=C1 BB31-4734 [0,0,0,1,0,0|2,0,1]=4 27 B12R2.44 COC1=NC=C2C=CNC2=C1 BB31-6789 [0,0,0,1,0,0|2,0,1]=4 28 B12R2.44 COC1=NC=C2NC=NC2=C1 BB31-8925 [0,0,0,1,0,0|3,0,0]=4 29 B12R2.44 COC1=NC=C2NN=CC2=C1 BB31-6965 [0,0,0,1,0,0|3,0,0]=4 30 B12R2.44 O=CC1=CC2=C(C=C1)SC=C2 BB31-0189 [0,0,0,1,0,0|3,0,0]=4 31 B12R2.44 OCC1=CC2=C(C=C1)NC=C2 BB52-5879 [0,0,0,1,0,0|3,0,0]=4 32 B12R2.44 OCC1=CC2=C(C=C1)OC=C2 BB32-1398 [0,0,0,1,0,0|3,0,0]=4 33 B12R2.44 OCC1=CC2=C(C=C1)SC=C2 BB31-3819 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.1 C#CC1=CC=C(O)C=C1 BB32-1037 [2,0,0,0,0,0|0,0,2]=4 35 B9R1.1 C=CC1=CC=C(I)C=C1 BB31-4240 [2,0,0,0,0,0|1,0,0]=3 36 B9R1.1 C=CC1=CN=C(F)C=C1 BB31-0349 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.1 C=CC1=NC=C(C)C=C1 BB32-1317 [2,0,0,0,0,0|1,0,0]=3 38 B9R1.1 CNC1=CN=C(C)C=C1 BB31-9222 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.1 OCC1=NC=C(O)C=C1 BB31-5168 [2,0,0,0,0,0|2,0,0]=4 40 B11R1.1 C=CCOC1=CC=C(C)C=C1 BB31-4230 [1,1,0,0,0,0|0,0,0]=2 41 B11R1.1 CC1=CC=C(OCCBr)C=C1 BB31-4045 [1,1,0,0,0,0|1,0,1]=4 42 B11R1.1 CCNCC1=CC=C(O)C=C1 BB31-5883 [1,1,0,0,0,0|0,0,2]=4 43 B11R1.1 O=CCCC1=CC=C(Br)C=C1 BB31-6794 [1,1,0,0,0,0|1,0,1]=4 44 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 BB32-1043 [1,1,0,0,0,0|0,0,1]=3 45 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 BB32-3859 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 BB32-3619 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 BB31-5026 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.3 COC1=CC=C(S(C)=O)C=C1 BB32-2118 [1,1,0,0,0,0|1,0,1]=4 49 B11R1.3 COC1=CN=C(C(=N)N)C=C1 BB31-9081 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.279 C#CC1=C(C)C=C(OC)C=C1 BB31-7195 [1,1,0,0,0,0|0,0,2]=4 51 B11R1.279 CCC1=CC(O)=C(C=O)C=C1 BB31-3289 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.279 COC1=C(Br)C=C(C=O)C=N1 BB32-3818 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.279 COC1=C(C)C=C(CN)C=C1 BB31-8268 [1,1,0,0,0,0|1,0,0]=3 54 B11R1.279 COC1=C(Cl)C=C(C=O)C=N1 BB31-1956 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.279 COC1=C(F)C=C(C=O)C=N1 BB31-8545 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.279 COC1=C(N)C=C(CO)C=C1 BB31-0379 [1,1,0,0,0,0|1,0,0]=3 57 B11R1.279 COC1=CC(Br)=C(CO)C=C1 BB31-3199 [1,1,0,0,0,0|1,0,0]=3 58 B11R1.279 COC1=CC(N)=C(C=O)C=C1 BB32-3011 [1,1,0,0,0,0|1,0,0]=3 59 B11R1.279 COC1=CC=C(CO)N=C1Cl BB31-9830 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.279 COC1=NC(C)=C(C=O)C=C1 BB31-2972 [1,1,0,0,0,0|2,0,0]=4 61 B13R1.5 CCC(=O)NC1=CC=C(OC)C=C1 BB31-4450 [0,2,0,0,0,0|1,0,1]=4 62 B13R1.36 COC1=CC=C(C(O)C(C)C)C=C1 BB31-3591 [0,2,0,0,0,0|0,0,2]=4 63 B13R1.585 CN(C)C1=CC=C(CC(=O)O)C=C1 BB31-5854 [0,2,0,0,0,0|2,0,0]=4 64 B13R1.653 COC1=CC(N)=C(NC(C)=O)C=C1 BB12-7661 [0,2,0,0,0,0|1,0,1]=4 65 B13R1.139 COC(=O)C1=CC=C(CCN)C=C1 BB32-2245 [0,2,0,0,0,0|1,0,1]=4 66 B13R1.187 COC1=CC=C(C(F)(F)CO)C=C1 BB31-5603 [0,2,0,0,0,0|1,0,1]=4 67 B13R1.452 CCCC(O)C1=CC=C(OC)C=C1 BB32-0916 [0,2,0,0,0,0|0,0,2]=4 68 B13R1.452 COC1=CC=C(C(N)CCO)C=C1 BB31-7205 [0,2,0,0,0,0|0,0,2]=4 69 B13R1.3 COC1=CC=C(C#CC(=O)O)C=C1 BB32-1274 [0,2,0,0,0,0|0,0,2]=4 70 B13R1.3 COC1=CC=C(\C=C\B(O)O)C=C1 BB31-7336 [0,2,0,0,0,0|1,0,1]=4 71 B13R1.74 C=CCNC1=CC=C(C(=O)O)C=C1 BB32-2438 [0,2,0,0,0,0|2,0,0]=4 72 B13R1.74 C=CCOC1=CC=C(C(=O)Cl)C=C1 BB12-5339 [0,2,0,0,0,0|2,0,0]=4 73 B13R1.74 C=CCOC1=CC=C(C(=O)O)C=C1 BB12-5340 [0,2,0,0,0,0|2,0,0]=4 74 B13R1.74 C=CCOC1=CC=C(C(N)=O)C=C1 BB12-5338 [0,2,0,0,0,0|2,0,0]=4 75 B13R1.371 COC1=CC=C(OCCC#N)C=C1 BB32-3589 [0,2,0,0,0,0|0,0,2]=4 76 B13R1.371 COC1=CC=C(OCCCN)C=C1 BB31-9906 [0,2,0,0,0,0|0,0,2]=4 77 B11R2.36 BrC1=CC2=C(C=C1)CC=C2 BB31-6902 [1,0,0,1,0,0|1,0,0]=3 78 B11R2.36 CC1=CC2=C(C=C1)CCN2 BB31-6620 [1,0,0,1,0,0|1,0,1]=4 79 B11R2.36 CC1=CC2=C(C=C1)N=CS2 BB31-4548 [1,0,0,1,0,0|2,0,0]=4 80 B11R2.36 CC1=CC2=C(C=C1)SC=N2 BB31-4547 [1,0,0,1,0,0|2,0,0]=4 81 B11R2.36 CC1=CC=C2NN=CC2=C1 BB51-3313 [1,0,0,1,0,0|2,0,0]=4 82 B11R2.36 CC1=NC2=C(C=C1)NC=C2 BB32-2357 [1,0,0,1,0,0|2,0,0]=4 83 B11R2.36 ClC1=CC2=C(C=C1)OC=C2 BB31-4209 [1,0,0,1,0,0|2,0,0]=4 84 B11R2.36 OC1=CC2=C(C=C1)CCN2 BB32-2364 [1,0,0,1,0,0|1,0,1]=4 85 B11R2.36 OC1=CC2=C(C=C1)CCO2 BB31-4258 [1,0,0,1,0,0|1,0,1]=4 86 B11R2.36 OC1=CC2=C(C=C1)OC=N2 BB32-0783 [1,0,0,1,0,0|2,0,0]=4 87 B11R2.36 OC1=CC2=C(C=C1)SC=C2 BB32-0598 [1,0,0,1,0,0|1,0,0]=3 88 B11R2.36 OC1=CC2=C(C=C1)SC=N2 BB31-4836 [1,0,0,1,0,0|2,0,0]=4 89 B11R2.36 OC1=CC2=C(C=CO2)C=C1 BB31-1913 [1,0,0,1,0,0|1,0,1]=4 90 B11R2.36 OC1=CC2=CC=NN2C=C1 BB31-2997 [1,0,0,1,0,0|2,0,0]=4 91 B11R2.190 O=CC1=CC2=C(C=C1)CC2 BB31-8398 [1,0,0,1,0,0|2,0,0]=4 92 B13R2.2121 COC1=CC2=C(C=C1)C=C(C)N2 BB32-0430 [0,1,0,1,0,0|0,0,2]=4 93 B13R2.2121 COC1=CC2=C(C=C1)CC(=O)N2 BB31-6945 [0,1,0,1,0,0|1,0,0]=3 94 B13R2.2121 COC1=CC2=C(C=C1)SC(Br)=N2 BB32-1420 [0,1,0,1,0,0|2,0,0]=4 95 B13R2.2121 COC1=CC=C2N=C(N)OC2=C1 BB17-2696 [0,1,0,1,0,0|2,0,0]=4 96 B13R2.2121 COC1=CC=C2OC(S)=NC2=C1 BB52-8667 [0,1,0,1,0,0|2,0,0]=4 97 B13R2.2121 COC1=CN2C=C(Br)N=C2C=C1 BB31-9254 [0,1,0,1,0,0|2,0,0]=4 98 B13R2.2121 COC1=NC=C2NC(C)=CC2=C1 BB31-8891 [0,1,0,1,0,0|2,0,0]=4 99 B13R2.186 COC1=CC=C(C2(N)CC2)C=C1 BB31-9153 [0,1,0,1,0,0|0,0,2]=4 100 B13R2.2130 COC1=CC2=C(C=C1)C(N)CC2 BB32-1919 [0,1,0,1,0,0|0,0,2]=4 101 B13R2.57 CNC1=CC2=CC=CC=C2C=C1 BB32-1489 [0,1,0,1,0,0|1,0,1]=4 102 B13R2.57 COC1=CC2=C(C=C1)CCCN2 BB31-7760 [0,1,0,1,0,0|0,0,2]=4 103 B13R2.57 COC1=CC2=C(C=C1)CCCN2 BB32-0672 [0,1,0,1,0,0|0,0,2]=4 104 B13R2.57 COC1=CC2=C(C=C1)CCNC2 BB31-3427 [0,1,0,1,0,0|0,0,2]=4 105 B13R2.57 COC1=CC2=C(C=C1)NCCN2 BB31-2116 [0,1,0,1,0,0|1,0,1]=4 106 B13R2.669 COC1=CC2=C(C=C1)NN=C2Br BB31-6462 [0,1,0,1,0,0|2,0,0]=4 107 B13R2.669 COC1=CC2=C(C=C1)NN=C2I BB31-4473 [0,1,0,1,0,0|2,0,0]=4 108 B13R2.669 COC1=CC2=C(C=C1)OCC2N BB31-8283 [0,1,0,1,0,0|1,0,1]=4 109 B13R2.669 COC1=CC2=C(N=C1)NC=C2Br BB31-8997 [0,1,0,1,0,0|2,0,0]=4 110 B13R2.669 COC1=CN2C(Br)=CN=C2C=C1 BB31-9053 [0,1,0,1,0,0|2,0,0]=4 111 B13R2.654 COC1=CC(Br)=C2C=CNC2=C1 BB31-7781 [0,1,0,1,0,0|1,0,1]=4 112 B13R2.654 COC1=CC(Br)=C2NN=CC2=C1 BB31-9484 [0,1,0,1,0,0|2,0,0]=4 113 B13R2.449 CCOC1=CC2=C(C=CN2)C=C1 BB32-1405 [0,1,0,1,0,0|1,0,1]=4 114 B13R2.449 ClCCC1=CC2=C(C=C1)OCC2 BB31-7219 [0,1,0,1,0,0|1,0,1]=4 115 B13R2.449 OCCC1=CC2=C(C=C1)SC=C2 BB31-7122 [0,1,0,1,0,0|2,0,0]=4 116 B13R2.84 COC1=C(Br)C2=C(C=C1)NN=C2 BB31-0784 [0,1,0,1,0,0|2,0,0]=4 117 B13R2.84 COC1=C(Br)C2=C(N=C1)NC=C2 BB31-0758 [0,1,0,1,0,0|2,0,0]=4 118 B13R2.84 COC1=C(C)C2=C(C=C1)NC=C2 BB31-4581 [0,1,0,1,0,0|1,0,0]=3 119 B13R2.599 COC1=C(Br)C=C2NC=CC2=C1 BB31-8995 [0,1,0,1,0,0|1,0,0]=3 120 B13R2.599 COC1=C(Br)C=C2NC=NC2=C1 BB31-0132 [0,1,0,1,0,0|2,0,0]=4 121 B13R2.599 COC1=C(C)C=C2C=CNC2=C1 BB31-8993 [0,1,0,1,0,0|1,0,1]=4 122 B13R2.599 COC1=C(Cl)C=C2NN=CC2=C1 BB31-1676 [0,1,0,1,0,0|2,0,0]=4 123 B13R2.599 COC1=C(F)C=C2NC=CC2=C1 BB32-3244 [0,1,0,1,0,0|1,0,0]=3