0 B12R2.44 C#CC1=CC2=C(C=C1)CCC2 3337AH [0,0,0,0,0,0|3,0,1]=4 1 B12R2.44 C#CC1=CC=C2OCOC2=C1 Y6304 [0,0,0,0,0,0|1,0,1]=2 2 B12R2.44 ClCC1=CC=C2OCCC2=C1 Z3594 [0,0,0,0,0,0|2,0,1]=3 3 B12R2.44 NCC1=CC2=C(C=C1)CCC2 X2082 [0,0,0,0,0,0|3,0,1]=4 4 B12R2.44 NCC1=CC2=C(C=C1)N=CO2 3785AC [0,0,0,0,0,0|2,0,2]=4 5 B12R2.44 NCC1=CC2=C(C=C1)OC=N2 0124AP [0,0,0,0,0,0|2,0,2]=4 6 B12R2.44 O=CC1=CC2=C(C=CO2)C=C1 4451AA [0,0,0,0,0,0|1,0,1]=2 7 B12R2.44 O=CC1=CC2=C(C=N1)OCS2 Y3330 [0,0,0,0,0,0|1,1,0]=2 8 B12R2.44 O=CC1=CC=C2CCNC2=C1 3132AA [0,0,0,0,0,0|2,0,0]=2 9 B12R2.44 O=CC1=CN=C2NN=CC2=C1 6459AC [0,0,0,0,0,0|4,0,0]=4 10 B12R2.44 OCC1=CC2=C(C=N1)OCS2 Y3329 [0,0,0,0,0,0|1,1,2]=4 11 B12R2.44 OCC1=CC=C2OC=CC2=C1 Y8694 [0,0,0,0,0,0|1,0,3]=4 12 B11R2.36 CC1=CC2=C(C=C1)C=NO2 1217AA [1,0,0,0,0,0|2,0,1]=4 13 B11R2.36 ClC1=CC2=C(C=C1)C=NO2 3015AL [1,0,0,0,0,0|3,0,0]=4 14 B11R2.36 ClC1=CC=C2CCOC2=C1 3499AJ [1,0,0,0,0,0|2,0,0]=3 15 B11R2.36 NC1=CC2=C(C=C1)CCC2 2198AC [1,0,0,0,0,0|3,0,0]=4 16 B11R2.36 NC1=CC2=C(C=C1)NCC2 5784AH [1,0,0,0,0,0|3,0,0]=4 17 B13R2.430 CC(=O)C1=CC=C2N=CSC2=C1 0271AB [0,1,0,0,0,0|1,1,1]=4 18 B13R2.430 O=C(O)C1=CC2=C(C=N1)OC=C2 W6445 [0,1,0,0,0,0|2,0,1]=4 19 B13R2.430 O=C(O)C1=NC2=C(C=C1)OC=C2 8256AB [0,1,0,0,0,0|2,0,1]=4 20 B13R2.449 N#CCC1=CC2=C(C=C1)CCO2 1672AA [0,1,0,0,0,0|2,0,1]=4 21 B13R2.449 NCCC1=CC2=C(C=C1)OCO2 5304AD [0,1,0,0,0,0|1,0,1]=3 22 B13R2.449 OCCC1=CC2=C(C=C1)OCO2 6478AE [0,1,0,0,0,0|0,0,2]=3 23 B13R2.599 CC1=CC2=C(C=C1CCl)OCO2 2875AA [0,1,0,0,0,0|1,0,1]=3 24 B13R2.599 ClCC1=CC2=C(C=C1Br)OCO2 9892AB [0,1,0,0,0,0|1,0,1]=3 25 B13R2.599 N#CC1=CC2=C(C=C1Br)OCO2 6652AE [0,1,0,0,0,0|1,0,1]=3 26 B13R2.599 NC1=C(C=O)C=C2OCOC2=C1 7857AD [0,1,0,0,0,0|0,0,0]=1 27 B13R2.599 O=CC1=C(O)C=C2CCOC2=C1 6967AC [0,1,0,0,0,0|1,0,0]=2 28 B13R2.654 NCC1=CC2=C(OCO2)C(Cl)=C1 0388AQ [0,1,0,0,0,0|1,0,1]=3 29 B13R2.669 COC1=CC=C2OCC(=O)C2=C1 5188AB [0,1,0,0,0,0|3,0,0]=4 30 B13R2.669 O=CC1=CC2=C(C=C1)NN=C2Cl Y7000 [0,1,0,0,0,0|3,0,0]=4 31 B13R2.669 O=CC1=CC=C2OC=C(Br)C2=C1 2212AJ [0,1,0,0,0,0|1,0,1]=3 32 B13R2.2121 CC1=NC2=C(C=CC(C=O)=C2)O1 2685AB [0,1,0,0,0,0|1,0,1]=3 33 B13R2.2121 O=CC1=CC2=C(C=C1)CC(=O)N2 1841AJ [0,1,0,0,0,0|2,0,1]=4 34 B13R2.2130 O=CC1=CC2=C(C=C1)C(=O)NC2 5665AC [0,1,0,0,0,0|3,0,0]=4 35 B13R2.2130 O=CC1=CC=C2C(=O)OCC2=C1 3873AB [0,1,0,0,0,0|3,0,0]=4 36 B11R1.83 CCOC1=CC=C(CCl)C=C1 7680AE [0,0,1,0,0,0|2,0,1]=4 37 B11R1.83 O=CC1=CC=C(CCO)C=C1 8288AA [0,0,1,0,0,0|1,0,0]=2 38 B11R1.279 CCC1=CC=C(OC)C=C1O 2074AL [0,0,1,0,0,0|3,0,0]=4 39 B11R1.279 COC1=C(N)C=C(CN)C=C1 2974AJ [0,0,1,0,0,0|2,0,1]=4 40 B11R1.279 COC1=CC=C(C=O)C=C1N W5672 [0,0,1,0,0,0|1,0,0]=2 41 B11R1.279 COC1=CC=C(CCl)C=C1C 9079AB [0,0,1,0,0,0|2,0,1]=4 42 B11R1.279 COC1=CC=C(CN)C=C1N 2973AJ [0,0,1,0,0,0|2,0,1]=4 43 B11R1.279 COC1=NC=C(C=O)C=C1Br Z0761 [0,0,1,0,0,0|2,0,0]=3 44 B11R1.279 COC1=NC=C(C=O)C=C1F Z5255 [0,0,1,0,0,0|2,0,0]=3 45 B11R1.279 CSC1=C(C)C=C(C=O)C=N1 Z0025 [0,0,1,0,0,0|2,1,0]=4 46 B11R1.279 N#CC1=CC=C(C=O)C=C1Br 5479AJ [0,0,1,0,0,0|3,0,0]=4 47 B11R1.280 COC1=C(C)C=NC(C=O)=C1 6706AC [0,0,1,0,0,0|2,0,0]=3 48 B11R1.280 COC1=C(N)C=CC(CO)=C1 7393AA [0,0,1,0,0,0|1,0,2]=4 49 B11R1.280 COC1=CC(C=O)=CN=C1F Y3970 [0,0,1,0,0,0|2,0,0]=3 50 B11R1.280 COC1=CC(CCl)=CC=C1F W5074 [0,0,1,0,0,0|2,0,1]=4 51 B11R1.280 COC1=CC=C(Cl)C(OC)=C1 8452AE [0,0,1,0,0,0|3,0,0]=4 52 B11R1.280 COC1=CC=C(O)C(OC)=N1 Z1004 [0,0,1,0,0,0|3,0,0]=4 53 B11R1.280 CSC1=CC(C=O)=CC=C1F Z0020 [0,0,1,0,0,0|1,1,0]=3 54 B11R2.190 C#CC1=CC2=C(C=C1)CC2 7130AA [0,0,0,0,1,0|2,0,1]=4 55 B11R2.191 O=CC1=CC=C2CCCN12 9365AB [0,0,0,0,1,0|3,0,0]=4 56 B13R2.57 N#CC1=CC2=C(C=C1)OCCN2 5837AA [0,0,0,0,0,1|2,0,1]=4 57 B13R2.57 N#CC1=CN=C2OCCOC2=C1 3299AD [0,0,0,0,0,1|2,0,1]=4 58 B13R2.57 NCC1=CC2=C(C=C1)OCCN2 3885AJ [0,0,0,0,0,1|2,0,1]=4 59 B13R2.57 O=CC1=CC2=C(C=C1)N=NC=C2 5775AC [0,0,0,0,0,1|2,0,1]=4 60 B13R2.57 O=CC1=NC2=C(C=C1)CCCN2 0496AB [0,0,0,0,0,1|3,0,0]=4 61 B13R2.57 OCC1=CC=C2OCCOC2=N1 9238AB [0,0,0,0,0,1|1,0,2]=4 62 B13R2.57 OCC1=CN=C2OCCOC2=C1 Y3128 [0,0,0,0,0,1|1,0,2]=4 63 B13R2.57 OCC1=NC=C2OCCOC2=C1 6115AB [0,0,0,0,0,1|1,0,2]=4 64 B10R1.172 C=CC1=CC=CC(C=O)=C1 0260AB [1,0,1,0,0,0|1,0,1]=4 65 B10R1.172 C=CC1=NC=CC(OC)=C1 3214AB [1,0,1,0,0,0|2,0,0]=4 66 B10R1.172 CCC1=CC(C=O)=NC=C1 X3712 [1,0,1,0,0,0|2,0,0]=4 67 B10R1.25 COC1=CC=C(C)C=C1F Z0570 [1,0,1,0,0,0|1,0,1]=4 68 B10R1.25 CSC1=CC=C(F)C=C1O Y3948 [1,0,1,0,0,0|1,1,0]=4 69 B10R1.176 CC1=C(Br)C=C(C=O)C=N1 X9208 [1,0,1,0,0,0|2,0,0]=4 70 B10R1.176 CC1=CC(C=O)=CN=C1C 3055AJ [1,0,1,0,0,0|2,0,0]=4 71 B10R1.176 CC1=CC(C=O)=NC=C1Cl Z1006 [1,0,1,0,0,0|2,0,0]=4 72 B10R1.176 CCC1=CC(O)=C(O)C=C1 2184AA [1,0,1,0,0,0|1,0,1]=4 73 B10R1.176 NC1=CC(C=O)=CC=C1Br V5484 [1,0,1,0,0,0|2,0,0]=4 74 B10R2.7 C1=CC=C2SCOC2=C1 2605AB [2,0,0,0,0,0|0,1,0]=3 75 B10R2.7 C1=CN=C2OCOC2=C1 1199AC [2,0,0,0,0,0|1,0,0]=3 76 B12R1.114 CCOC1=CC=C(C=O)C=C1C 8333AB [0,1,1,0,0,0|1,0,0]=3 77 B12R1.114 CCOC1=NC=C(C=O)C=C1F 4515AC [0,1,1,0,0,0|2,0,0]=4 78 B12R1.116 CCOC1=CC=C(CC=O)C=C1 5989AB [0,1,1,0,0,0|1,0,0]=3 79 B12R1.286 CCOC1=CC(C=O)=C(O)C=C1 0000AF [0,1,1,0,0,0|1,0,0]=3 80 B12R1.48 CCC1=C(Br)C=C(C(=O)O)C=C1 6984AC [0,1,1,0,0,0|2,0,0]=4 81 B12R1.48 CCC1=CC=C(C(=O)O)C=C1I 6156AJ [0,1,1,0,0,0|2,0,0]=4 82 B12R1.48 CNC1=C(N)C=C(C(N)=O)C=C1 2323AE [0,1,1,0,0,0|2,0,0]=4 83 B12R1.48 CSC1=C(Cl)C=C(C(C)=O)C=C1 3631AB [0,1,1,0,0,0|1,1,0]=4 84 B12R1.78 COC1=CC=C(NN)C=C1OC Z2663 [0,1,1,0,0,0|2,0,0]=4 85 B12R1.301 COC1=C(Cl)C=C(C=O)C=C1Cl Z0585 [0,1,1,0,0,0|1,0,0]=3 86 B12R1.301 CSC1=C(F)C=C(C=O)C=C1F Z0618 [0,1,1,0,0,0|1,1,0]=4 87 B12R1.653 COC1=C(Cl)C(Cl)=C(C=O)C=C1 5756AB [0,1,1,0,0,0|1,0,0]=3 88 B12R1.653 COC1=C(Cl)C(O)=C(C=O)C=C1 5847AJ [0,1,1,0,0,0|1,0,0]=3 89 B12R1.56 CCC1=CC(C(C)=O)=CC=C1O 1456AB [0,1,1,0,0,0|1,0,0]=3 90 B12R1.56 COC1=CC(C(=O)O)=CN=C1F Y3972 [0,1,1,0,0,0|2,0,0]=4 91 B12R1.300 COC1=C(O)C(O)=CC(C=O)=C1 L430 [0,1,1,0,0,0|0,0,0]=2 92 B12R1.453 CC(C)C1=CC(C=O)=CC=C1Cl Z0033 [0,1,1,0,0,0|2,0,0]=4 93 B12R1.654 COC1=C(C)C=NC(C=O)=C1C 1958AA [0,1,1,0,0,0|2,0,0]=4 94 B12R2.100 OC1=CC2=C(C=C1O)OCO2 7300AD [1,1,0,0,0,0|0,0,1]=3 95 B12R2.132 NC1COC2=CC=C(Br)C=C21 3113AJ [1,1,0,0,0,0|2,0,0]=4 96 B12R2.132 NC1COC2=CC=C(F)C=C21 5848AH [1,1,0,0,0,0|2,0,0]=4 97 B12R2.132 N[C@@H]1COC2=CC=C(Br)C=C21 8693AH [1,1,0,0,0,0|2,0,0]=4 98 B12R2.132 O=C1COC2=C1C=C(I)C=C2 9090AB [1,1,0,0,0,0|2,0,0]=4 99 B12R2.246 BrC1=CC(Br)=C2OCOC2=C1 1282AC [1,1,0,0,0,0|1,0,0]=3 100 B12R2.246 ClC1=CC(Br)=C2OCOC2=C1 1281AC [1,1,0,0,0,0|1,0,0]=3 101 B12R2.246 FC1=CC2=C(OCC2)C(F)=C1 9106AA [1,1,0,0,0,0|2,0,0]=4 102 B12R2.612 NC1COC2=C1C=CC(Br)=C2 6155AC [1,1,0,0,0,0|2,0,0]=4 103 B12R2.612 NC1COC2=CC(Cl)=CC=C21 3496AJ [1,1,0,0,0,0|2,0,0]=4 104 B12R2.612 N[C@H]1COC2=CC(Cl)=CC=C21 8672AH [1,1,0,0,0,0|2,0,0]=4 105 B14R2.112 C=CCC1=CC=C2OCCOC2=C1 6019AE [0,1,0,0,0,1|1,0,0]=3 106 B14R2.134 O=CC1=CC2=C(C=C1)SCC(=O)N2 2301AB [0,1,0,0,0,1|1,1,0]=4 107 B14R2.781 CC(=O)C1=CC2=C(C=C1)CNCC2 3760AA [0,1,0,0,0,1|2,0,0]=4 108 B14R2.781 CC(=O)C1=CC2=C(C=C1)CNCC2 6322AC [0,1,0,0,0,1|2,0,0]=4 109 B14R2.781 CC(=O)C1=CC=C2CCNCC2=C1 2793AC [0,1,0,0,0,1|2,0,0]=4 110 B14R2.781 CC(=O)C1=CC=C2NCCCC2=C1 1358AL [0,1,0,0,0,1|2,0,0]=4 111 B14R2.781 O=C(O)C1=CC2=C(C=C1)OCCN2 3199AF [0,1,0,0,0,1|1,0,0]=3 112 B14R2.781 O=C(O)C1=CC2=C(C=C1)SCCN2 7728AD [0,1,0,0,0,1|1,1,0]=4 113 B14R2.781 O=[N+]([O-])C1=CC=C2COCCC2=C1 0636AB [0,1,0,0,0,1|2,0,0]=4 114 B14R2.601 CC1=CC2=C(C=CC(C(=O)O)=C2)O1 7480AD [0,2,0,0,0,0|1,0,1]=4 115 B14R2.966 COC(=O)C1=CC2=C(C=C1)CCC2 1631AL [0,2,0,0,0,0|2,0,0]=4 116 B14R2.966 NCC(O)C1=CC2=C(C=C1)OCO2 1461AJ [0,2,0,0,0,0|0,0,2]=4 117 B14R2.1008 CN(C)CC1=CC=C2OCOC2=C1 8765AB [0,2,0,0,0,0|1,0,1]=4 118 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)CCO2 7630AA [0,2,0,0,0,0|1,0,0]=3 119 B12R2.315 N#CC1=CC=CC2=C1OCO2 8188AA [0,0,1,1,0,0|1,0,1]=4 120 B12R2.315 O=CC1=CC=CC2=C1OC=N2 1889AA [0,0,1,1,0,0|1,0,1]=4 121 B12R2.24 BrC1=CC=C2OCC=CC2=C1 6429AJ [1,0,0,0,0,1|2,0,0]=4 122 B12R2.24 ClC1=CC2=C(C=C1)COCC2 2268AC [1,0,0,0,0,1|2,0,0]=4 123 B12R2.24 IC1=CN=C2OCCOC2=C1 2672AD [1,0,0,0,0,1|2,0,0]=4 124 B14R2.2400 ClCC1=CC=C2OCCCOC2=C1 W7821 [0,0,0,0,0,2|1,0,1]=4