0 B14R2.112 BrCCC1=CC=C2N=CC=NC2=C1 Y5232 [0,0,0,0,0,0|4,0,0]=4 1 B14R2.112 CCOC1CCC2=C(C=CC=C2)O1 0966AA [0,0,0,0,0,0|1,0,3]=4 2 B14R2.112 CNCC1=NC2=CC=CC=C2N=C1 4004AD [0,0,0,0,0,0|4,0,0]=4 3 B14R2.112 NCCC1=CC2=C(C=CC=C2)C=C1 1063AJ [0,0,0,0,0,0|2,0,0]=2 4 B14R2.112 NCCC1=NC2=C(C=CC=C2)C=C1 0946AA [0,0,0,0,0,0|3,0,0]=3 5 B14R2.112 NNCC1=CC2=CC=CC=C2C=C1 8016AD [0,0,0,0,0,0|3,0,0]=3 6 B14R2.112 O=CCC1=CC=C2C=CC=CC2=N1 Y9001 [0,0,0,0,0,0|3,0,1]=4 7 B14R2.112 OCCC1=CC2=CC=CC=C2C=C1 7397AA [0,0,0,0,0,0|2,0,0]=2 8 B14R2.112 OCCC1=CC=C2N=CC=NC2=C1 Y5442 [0,0,0,0,0,0|4,0,0]=4 9 B13R2.57 BrCC1=CC2=CC=CC=C2C=N1 Y9436 [1,0,0,0,0,0|2,0,0]=3 10 B13R2.57 BrCC1=CC=C2N=CC=CC2=C1 0362AA [1,0,0,0,0,0|2,0,0]=3 11 B13R2.57 C#CC1=CC2=C(C=CC=N2)C=C1 0933AA [1,0,0,0,0,0|1,0,2]=4 12 B13R2.57 C#CC1=CC2=CC=CC=C2C=N1 Y5592 [1,0,0,0,0,0|1,0,2]=4 13 B13R2.57 NCC1=CC2=CN=CC=C2C=C1 Y6925 [1,0,0,0,0,0|2,0,0]=3 14 B13R2.57 NCC1=CC2=CN=CN=C2C=C1 5808AC [1,0,0,0,0,0|3,0,0]=4 15 B13R2.57 NCC1=CC2=NC=CC=C2C=C1 Y4064 [1,0,0,0,0,0|2,0,0]=3 16 B13R2.57 NCC1=CC=C2C=NC=CC2=C1 Y6924 [1,0,0,0,0,0|2,0,0]=3 17 B13R2.57 NCC1=NC2=C(C=CC=C2)N=C1 5250AJ [1,0,0,0,0,0|3,0,0]=4 18 B13R2.57 NCC1=NC2=C(C=CC=N2)C=C1 4175AC [1,0,0,0,0,0|3,0,0]=4 19 B13R2.57 NNC1=CC2=CC=CC=C2N=C1 Y7666 [1,0,0,0,0,0|3,0,0]=4 20 B13R2.57 OCC1=CC2=CN=CC=C2C=C1 Y7676 [1,0,0,0,0,0|2,0,0]=3 21 B13R2.57 [C-]#[N+]C1=CC2=CC=CC=C2C=C1 0461AQ [1,0,0,0,0,0|1,0,1]=3 22 B15R2.352 OCCCC1=CC=C2C=CC=CC2=N1 Y4809 [0,1,0,0,0,0|2,0,0]=3 23 B15R2.1290 CCOC1=CC=C2N=CNC(=O)C2=C1 7827AA [0,1,0,0,0,0|2,0,0]=3 24 B15R2.1601 CCC(=O)C1=CC=C2C=NC=CC2=C1 Y6927 [0,1,0,0,0,0|2,0,0]=3 25 B15R2.1601 CCC(N)C1=CC2=C(C=CC=C2)C=C1 9533AH [0,1,0,0,0,0|1,0,0]=2 26 B15R2.1601 CCC(O)C1=CC2=C(C=CC=C2)C=C1 9534AH [0,1,0,0,0,0|1,0,0]=2 27 B15R2.1601 NC(CO)C1=CC2=CC=CC=C2C=C1 7722AA [0,1,0,0,0,0|2,0,0]=3 28 B15R2.1668 CC(=O)NC1=CC=C2C=CC=CC2=C1 X5492 [0,1,0,0,0,0|1,0,1]=3 29 B15R2.1668 CC(=O)OC1=CC2=CC=CN=C2C=C1 1784AB [0,1,0,0,0,0|1,0,1]=3 30 B15R2.1668 CC(O)CC1=CC2=C(C=CC=C2)C=C1 Y1901 [0,1,0,0,0,0|1,0,0]=2 31 B15R2.1668 O=C(Cl)OC1=CC=C2C=CC=CC2=C1 5744AL [0,1,0,0,0,0|1,0,1]=3 32 B15R2.1668 S=C(Cl)OC1=CC=C2C=CC=CC2=C1 D243 [0,1,0,0,0,0|1,0,1]=3 33 B15R2.10252 N#CCC1=CC2=CC=C(Br)C=C2C=C1 3220AB [0,1,0,0,0,0|2,0,1]=4 34 B13R1.77 C=CCCC1=CC=C(OCC)C=C1 0974AE [0,0,1,0,0,0|0,0,2]=3 35 B13R2.1 CCOC1=NNC2=CC=CC=C21 4084AC [0,0,0,0,1,0|2,0,0]=3 36 B13R2.1 CNCC1=CNC2=C1C=CC=C2 1655AE [0,0,0,0,1,0|3,0,0]=4 37 B13R2.1 NCCC1=CSC2=C1C=CC=C2 7213AA [0,0,0,0,1,0|3,0,0]=4 38 B13R2.26 CCCC1=CC2=C(C=NC=C2)N1 4089AC [0,0,0,0,1,0|3,0,0]=4 39 B13R2.26 CNCC1=CC2=CC=CC=C2N1 2844AF [0,0,0,0,1,0|3,0,0]=4 40 B13R2.26 NCCC1=CC2=CC=CC=C2S1 3374AD [0,0,0,0,1,0|3,0,0]=4 41 B13R2.449 CCNC1=CC2=C(C=C1)C=NN2 4402AJ [0,0,0,0,1,0|3,0,0]=4 42 B13R2.449 CCOC1=CC2=C(C=C1)N=CS2 8269AJ [0,0,0,0,1,0|2,0,0]=3 43 B13R2.449 CCOC1=CC2=C(C=C1)SC=N2 3255AC [0,0,0,0,1,0|2,0,0]=3 44 B13R2.449 CCOC1=CC=C2NC=CC2=N1 1611AB [0,0,0,0,1,0|2,0,0]=3 45 B13R2.449 ClCCC1=CC2=C(C=C1)OC=C2 3307AH [0,0,0,0,1,0|3,0,0]=4 46 B12R1.71 C=CCCC1=CC=C(OC)C=C1 6964AD [1,0,1,0,0,0|0,0,2]=4 47 B12R1.71 COC1=CC=C(\C=C\C#N)C=C1 6566AL [1,0,1,0,0,0|1,0,1]=4 48 B12R1.116 CCOC1=CC=C(CC=O)C=C1 5989AB [1,0,1,0,0,0|1,0,1]=4 49 B12R1.286 CCOC1=CC(C=O)=C(O)C=C1 0000AF [1,0,1,0,0,0|2,0,0]=4 50 B12R1.382 C=CCCC1=CC=CC(OC)=C1 0825AD [1,0,1,0,0,0|0,0,2]=4 51 B12R2.24 CC1=CC2=C(C=C1)C=NN=C2 6869AL [2,0,0,0,0,0|2,0,0]=4 52 B12R2.24 ClC1=CC2=CN=CC=C2C=C1 Y5392 [2,0,0,0,0,0|2,0,0]=4 53 B12R2.24 FC1=CC2=NC=CC=C2C=C1 5205AB [2,0,0,0,0,0|2,0,0]=4 54 B12R2.24 FC1=CN=C2C=CC=CC2=C1 5204AB [2,0,0,0,0,0|2,0,0]=4 55 B12R2.24 IC1=CC2=CN=CC=C2C=C1 Y5544 [2,0,0,0,0,0|2,0,0]=4 56 B12R2.24 IC1=CC=C2C=CC=CC2=N1 0061AC [2,0,0,0,0,0|2,0,0]=4 57 B12R2.24 OC1=CC2=CN=CC=C2C=C1 Y7545 [2,0,0,0,0,0|1,0,0]=3 58 B12R2.24 OC1C=CC2=C(C=CC=C2)O1 2698AA [2,0,0,0,0,0|1,0,1]=4 59 B12R2.24 SC1=CC2=CC=CC=C2N=C1 Y4019 [2,0,0,0,0,0|1,1,0]=4 60 B14R1.32 CCOC(=O)\C=C\C1=CC=NC(Cl)=C1 5491AE [0,1,1,0,0,0|2,0,0]=4 61 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Cl)C=C1 9018AB [0,1,1,0,0,0|1,0,0]=3 62 B14R1.502 CCOC(=O)\N=C\C1=CC=C(Cl)C=C1 0501AC [0,1,1,0,0,0|2,0,0]=4 63 B14R1.142 C=C(C)CCC1=CC=C(OCC)C=C1 6131AD [0,1,1,0,0,0|0,0,2]=4 64 B14R1.3348 CCOC(=O)C(=O)C1=C(C)C=CC=C1 7690AE [0,1,1,0,0,0|1,0,1]=4 65 B14R1.3348 CCOC(=O)C(=O)C1=CC=CC=C1Cl 6836AE [0,1,1,0,0,0|2,0,0]=4 66 B14R1.468 CCOC1=CC=CC(\C=C\C(=O)O)=C1 7854AC [0,1,1,0,0,0|1,0,0]=3 67 B14R2.92 COC1=C(C)C2=C(C=CC=N2)N=C1 4759AC [1,1,0,0,0,0|2,0,0]=4 68 B14R2.92 COC1=C(N)C2=C(C=CC=N2)C=C1 2826AC [1,1,0,0,0,0|1,0,0]=3 69 B14R2.92 COC1=CN=C2C=CC=NC2=C1I 3342AD [1,1,0,0,0,0|2,0,0]=4 70 B14R2.134 COC1=CC2=C(C=C1)N=CC(N)=N2 6342AC [1,1,0,0,0,0|2,0,0]=4 71 B14R2.134 COC1=CC2=CC(N)=CN=C2C=C1 3007AB [1,1,0,0,0,0|1,0,0]=3 72 B14R2.134 COC1=CC=C2C=CC(Cl)=NC2=C1 6723AB [1,1,0,0,0,0|1,0,0]=3 73 B14R2.134 COC1=CC=C2N=CC(I)=CC2=C1 4965AA [1,1,0,0,0,0|1,0,0]=3 74 B14R2.134 COC1=CN=C2C=CC(Cl)=NC2=C1 4504AA [1,1,0,0,0,0|2,0,0]=4 75 B14R2.142 COC1=CC2=C(F)C=CC=C2C=C1 6628AA [1,1,0,0,0,0|0,0,0]=2 76 B14R2.142 COC1=CC=C2C=CN=C(I)C2=C1 1639AL [1,1,0,0,0,0|1,0,0]=3 77 B14R2.142 COC1=CC=C2N=CN=C(N)C2=C1 3591AJ [1,1,0,0,0,0|2,0,0]=4 78 B14R2.142 COC1=NC2=C(C=C1)N=CC=C2N 3564AJ [1,1,0,0,0,0|2,0,0]=4 79 B14R2.142 COC1=NC2=C(C=C1)NC=CC2=O 1566AB [1,1,0,0,0,0|2,0,0]=4 80 B14R2.142 ClC1=NC=CC2=CC=C(CBr)C=C21 0704AB [1,1,0,0,0,0|2,0,0]=4 81 B14R2.781 CS(=O)C1=CC2=C(C=CC=C2)C=C1 7768AJ [1,1,0,0,0,0|0,1,0]=3 82 B14R2.1019 COC1=CC(N)=C2N=CC=CC2=C1 0944AQ [1,1,0,0,0,0|1,0,0]=3 83 B14R2.1019 COC1=CC(O)=C2N=CC=CC2=C1 4125AE [1,1,0,0,0,0|1,0,0]=3 84 B14R2.1019 COC1=NC2=CC=CC=C2C(=O)N1 0338AA [1,1,0,0,0,0|2,0,0]=4 85 B14R2.1128 CCC1=C(Cl)N=C2C=CC=CC2=N1 9527AE [1,1,0,0,0,0|2,0,0]=4 86 B14R2.1128 CCC1=NC2=C(C=CC=C2)NC1=O 6031AA [1,1,0,0,0,0|2,0,0]=4 87 B14R2.1128 COC1=C(O)C=C2C=CC=CC2=C1 V5678 [1,1,0,0,0,0|0,0,0]=2 88 B14R2.1128 NCC1=C(O)C=C2C=CC=CC2=C1 5677AJ [1,1,0,0,0,0|1,0,0]=3 89 B14R2.1801 COC1=CC2=C(C=C1)C(Cl)=NN=C2 9794AH [1,1,0,0,0,0|2,0,0]=4 90 B14R2.1801 COC1=CC2=CC=C[N+](C)=C2C=C1 1116AB [1,1,0,0,0,0|1,0,0]=3 91 B14R2.1801 COC1=CC2=CC=NC(N)=C2C=C1 W4992 [1,1,0,0,0,0|1,0,0]=3 92 B14R2.1801 COC1=CC=C2C(=C1)N=CN=C2N 3724AJ [1,1,0,0,0,0|2,0,0]=4 93 B14R2.2332 CC1=CC=C2N=C(CCl)C=CC2=C1 1466AB [1,1,0,0,0,0|2,0,0]=4 94 B14R2.2332 COC1=CC2=C(C=C1)C=C(Cl)N=C2 2245AJ [1,1,0,0,0,0|1,0,0]=3 95 B14R2.2332 COC1=CC2=C(C=C1)N=C(Cl)N=C2 3135AC [1,1,0,0,0,0|2,0,0]=4 96 B14R2.2332 COC1=CC2=NC=C(Cl)N=C2C=C1 W6960 [1,1,0,0,0,0|2,0,0]=4 97 B14R2.2332 COC1=CC=C2C=C(C)N=CC2=C1 Y5424 [1,1,0,0,0,0|1,0,0]=3 98 B14R2.991 CCOCC1=CC2=C(C=CN2)C=C1 1267AA [0,1,0,0,1,0|1,0,0]=3 99 B14R2.1008 CC(C)OC1=CC=C2NC=CC2=C1 5199AB [0,1,0,0,1,0|1,0,0]=3 100 B14R2.1008 FC(F)OC1=CC=C2C=CNC2=C1 0296AB [0,1,0,0,1,0|2,0,0]=4 101 B14R2.6400 CCOC1=CC2=C(C=C1)N=C(Br)S2 7895AJ [0,1,0,0,1,0|2,0,0]=4 102 B14R2.6400 CCOC1=CC2=C(C=C1)N=C(Cl)S2 2372AC [0,1,0,0,1,0|2,0,0]=4 103 B14R2.6400 CCOC1=CC2=C(C=C1)NC(=O)S2 8268AJ [0,1,0,0,1,0|2,0,0]=4 104 B16R2.477 O=C(O)COC1=CC=C2C=CN=CC2=C1 3482AC [0,2,0,0,0,0|1,0,1]=4 105 B16R2.767 CONC(=O)C1=CC=C2C=CC=CC2=C1 1960AC [0,2,0,0,0,0|2,0,0]=4 106 B16R2.1054 CCCCC1=CC(Cl)=C2C=CC=CC2=N1 5496AJ [0,2,0,0,0,0|2,0,0]=4 107 B16R2.5347 C#CC(=O)OC1=CC2=CC=CC=C2C=C1 0462AQ [0,2,0,0,0,0|0,0,2]=4 108 B16R2.11975 CC(=O)OC1=CC2=C(C=C1)N=CC(Br)=C2 0589AA [0,2,0,0,0,0|1,0,1]=4 109 B16R2.126902 CC(C)OC1=CC=C2N=CN=C(Cl)C2=C1 2502AD [0,2,0,0,0,0|2,0,0]=4 110 B16R2.173132 COC(=O)C1=CC=C2C(Cl)=CC=CC2=C1 3574AL [0,2,0,0,0,0|2,0,0]=4 111 B16R2.28230 CCCC1=CC2=CC=C(OC)C=C2C=C1 S425 [0,2,0,0,0,0|1,0,0]=3 112 B16R2.28230 CCOC1=CC=C2C=C(C=O)C=NC2=C1 AMTGC731 [0,2,0,0,0,0|1,0,0]=3 113 B14R2.7150 BrCCC1=CC=CC2=CC=CC=C21 0982AQ [0,0,1,1,0,0|2,0,0]=4 114 B14R2.7150 NCCC1=CC=CC2=CC=CC=C21 0447AQ [0,0,1,1,0,0|2,0,0]=4 115 B14R3.3046 C1=CC2=C(N1)C3=C(C=C2)CCC3 0680AQ [0,0,0,1,1,0|2,0,0]=4 116 B16R3.2754 BrC1=C2C=CC=CC2=NC3=C1CCC3 9685AA [0,1,0,1,0,0|2,0,0]=4 117 B16R3.2754 ClC1=C2C=CC=CC2=NC3=C1CCC3 3109AL [0,1,0,1,0,0|2,0,0]=4 118 B16R3.27813 ClC1=CC=NC2=CC3=C(C=C12)OCO3 3770AJ [0,1,0,1,0,0|2,0,0]=4 119 B16R3.335 CC1=CC2=C(C1)C3=C(C=CC=C3)C=C2 7506AA [0,1,0,1,0,0|1,0,1]=4 120 B12R1.51 CCOC(=O)\C=C\C1=CC=CS1 X0121 [0,0,1,0,1,0|2,0,0]=4 121 B12R2.1 COC1=NNC2=CC=CC=C21 9664AA [1,0,0,0,1,0|2,0,0]=4 122 B12R2.44 OCC1=CC=C2OC=CC2=C1 Y8694 [1,0,0,0,1,0|2,0,0]=4