0 B14R1.19 CC1=CC=C(C=C1)C(=O)CCCC#N CNP0061652.0 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)N CNP0165219.0 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)O CNP0230608.0 [0,0,0,0,0,0|0,0,0]=0 3 B14R1.19 CNCCCC(=O)C1=CC=C(N=C1)O CNP0068763.0 [0,0,0,0,0,0|3,0,0]=3 4 B13R1.9 CCCCCCC1=CC=C(C=C1)O CNP0504357.0 [1,0,0,0,0,0|1,0,1]=3 5 B13R1.9 CCCCOCC1=CC=C(C=C1)O CNP0265781.0 [1,0,0,0,0,0|0,0,1]=2 6 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)O CNP0598021.0 [1,0,0,0,0,0|0,0,0]=1 7 B13R1.17 CCCOC(=O)C1=CC=C(C=C1)N CNP0112115.0 [1,0,0,0,0,0|1,0,0]=2 8 B13R1.17 CCCOC(=O)C1=CC=C(C=C1)O CNP0333884.0 [1,0,0,0,0,0|0,0,0]=1 9 B13R1.17 CNCO[C@@H](O)C1=CC=C(C=C1)O CNP0003653.1 [1,0,0,0,0,0|1,0,2]=4 10 B13R1.17 CON=CC(=O)C1=CC=C(C=C1)O CNP0483730.0 [1,0,0,0,0,0|2,0,1]=4 11 B13R1.17 NCCNC(=O)C1=CC=C(C=C1)Cl CNP0594342.0 [1,0,0,0,0,0|3,0,0]=4 12 B13R1.17 O=C(NCCO)C1=CC=C(C=C1)Cl CNP0558484.0 [1,0,0,0,0,0|3,0,0]=4 13 B13R1.17 O=C(NCCO)C1=CC=C(C=C1)O CNP0177000.0 [1,0,0,0,0,0|2,0,0]=3 14 B13R1.17 O=C(OCCO)C1=CC=C(C=C1)O CNP0105691.0 [1,0,0,0,0,0|1,0,0]=2 15 B13R1.24 CC#CCCC(=O)C1=CC=CC=C1 CNP0333337.0 [1,0,0,0,0,0|1,0,2]=4 16 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 CNP0076659.0 [1,0,0,0,0,0|1,0,0]=2 17 B13R1.24 CCCCCC(O)C1=CC=CC=C1 CNP0356148.0 [1,0,0,0,0,0|1,0,2]=4 18 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 CNP0207399.0 [1,0,0,0,0,0|1,0,0]=2 19 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 CNP0250568.0 [1,0,0,0,0,0|0,0,0]=1 20 B13R1.24 CCCCOC(=O)C1=CC=CN=C1 CNP0071070.0 [1,0,0,0,0,0|1,0,0]=2 21 B13R1.24 CCCCO[C@H](C)C1=CC=CC=C1 CNP0178892.1 [1,0,0,0,0,0|1,0,1]=3 22 B13R1.24 CNCCCC(=O)C1=CC=CN=C1 CNP0204059.0 [1,0,0,0,0,0|3,0,0]=4 23 B13R1.24 N#CCCCC(=O)C1=CC=CC=C1 CNP0255387.0 [1,0,0,0,0,0|2,0,1]=4 24 B15R1.30 CCCCNC[C@@H](O)C1=CC=C(C=C1)O CNP0009343.1 [0,1,0,0,0,0|1,0,2]=4 25 B15R1.30 CCCCNC[C@H](O)C1=CC=C(C=C1)O CNP0009343.2 [0,1,0,0,0,0|1,0,2]=4 26 B15R1.30 O=C(CCCCCBr)C1=CC=C(C=C1)Br CNP0145701.0 [0,1,0,0,0,0|2,0,0]=3 27 B15R1.38 CCCCOS(=O)(=O)C1=CC=C(C=C1)C CNP0036687.0 [0,1,0,0,0,0|2,0,0]=3 28 B15R1.132 O=C(OC[C@@H](O)CO)C1=CC=C(C=C1)Cl CNP0362338.1 [0,1,0,0,0,0|2,0,0]=3 29 B15R1.132 O=C(OC[C@@H](O)CO)C1=CC=C(C=C1)O CNP0341942.1 [0,1,0,0,0,0|1,0,0]=2 30 B15R1.882 C=C(CCCC(C)C)C1=CC=C(C=C1)C CNP0267186.0 [0,1,0,0,0,0|3,0,0]=4 31 B15R1.882 CC(=CCCC(C)C)C1=CC=C(C=C1)C CNP0203394.0 [0,1,0,0,0,0|3,0,0]=4 32 B15R1.882 O=C(O)CCNC(=O)C1=CC=C(C=C1)O CNP0440636.0 [0,1,0,0,0,0|2,0,1]=4 33 B15R1.882 O=C([O-])CCNC(=O)C1=CC=C(C=C1)O CNP0503790.0 [0,1,0,0,0,0|2,0,1]=4 34 B15R1.1389 CCCCCC(=O)C1=CC=C(C=C1)CO CNP0140358.0 [0,1,0,0,0,0|1,0,0]=2 35 B15R1.1389 CCCCCC(O)C1=CC=C(C=C1)CO CNP0403107.0 [0,1,0,0,0,0|1,0,2]=4 36 B15R1.1389 CCSCCC(=O)C1=CC=C(C=C1)OC CNP0369147.0 [0,1,0,0,0,0|2,0,0]=3 37 B15R1.1389 COC1=CC=C(C=C1)C(=O)CCCC#N CNP0043117.0 [0,1,0,0,0,0|2,0,1]=4 38 B15R1.1404 O=C(NCCCO)C1=CC=C(C(=C1)O)O CNP0432506.0 [0,1,0,0,0,0|2,0,0]=3 39 B15R2.56233 CCC[C@@H]1OC(=O)C2=CC=C(C=C12)O CNP0324047.1 [0,0,0,1,0,0|0,0,0]=1 40 B15R1.128 CCCCNC(=O)CC1=CC=C(C=C1)C CNP0572800.0 [0,0,0,0,0,1|2,0,0]=3 41 B12R1.1 CC=CCOC1=CC=C(C=C1)O CNP0425430.0 [2,0,0,0,0,0|0,0,2]=4 42 B12R1.1 CCCCCC1=CC=C(C=C1)O CNP0317854.0 [2,0,0,0,0,0|0,0,1]=3 43 B12R1.1 CCCCOC1=CC=C(C=C1)Br CNP0109333.0 [2,0,0,0,0,0|1,0,0]=3 44 B12R1.1 CCCCOC1=CC=C(C=C1)N CNP0043525.0 [2,0,0,0,0,0|1,0,0]=3 45 B12R1.1 CCCCOC1=CC=C(C=C1)O CNP0129863.0 [2,0,0,0,0,0|0,0,0]=2 46 B12R1.1 CCCCSC1=CC=C(C=C1)C CNP0334221.0 [2,0,0,0,0,0|1,1,0]=4 47 B12R1.1 CNCCCC1=CC=C(C=C1)O CNP0135430.0 [2,0,0,0,0,0|1,0,1]=4 48 B12R1.1 COCC=CC1=CC=C(C=C1)O CNP0284684.0 [2,0,0,0,0,0|1,0,1]=4 49 B12R1.1 COCCCC1=CC=C(C=C1)O CNP0164469.0 [2,0,0,0,0,0|1,0,1]=4 50 B12R1.8 CCCCCCC1=CC=CC=C1 CNP0276048.0 [2,0,0,0,0,0|1,0,1]=4 51 B12R1.8 CCCCOCC1=CC=CC=C1 CNP0003510.0 [2,0,0,0,0,0|0,0,1]=3 52 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O CNP0055892.0 [2,0,0,0,0,0|0,0,0]=2 53 B12R1.16 CCOC(=O)C1=CC=C(C=C1)C CNP0077252.0 [2,0,0,0,0,0|1,0,0]=3 54 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N CNP0225761.0 [2,0,0,0,0,0|1,0,0]=3 55 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O CNP0179290.0 [2,0,0,0,0,0|0,0,0]=2 56 B12R1.16 COCC(=O)C1=CC=C(C=C1)O CNP0289032.0 [2,0,0,0,0,0|1,0,0]=3 57 B12R1.16 O=C(CCO)C1=CC=C(C=C1)O CNP0268127.0 [2,0,0,0,0,0|1,0,0]=3 58 B12R1.16 [2H]C1=CC=C(C=C1)C(=O)OCC CNP0538660.0 [2,0,0,0,0,0|1,0,0]=3 59 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 CNP0100792.0 [2,0,0,0,0,0|0,0,2]=4 60 B12R1.30 CCC=CC(=O)C1=CC=CC=C1 CNP0126866.0 [2,0,0,0,0,0|0,0,2]=4 61 B12R1.30 CCCCC(=O)C1=CC=CC=C1 CNP0346038.0 [2,0,0,0,0,0|0,0,0]=2 62 B12R1.30 CCCC[C@@H](O)C1=CC=CC=C1 CNP0251473.1 [2,0,0,0,0,0|0,0,2]=4 63 B12R1.30 CCCN=C(C)C1=CC=CC=C1 CNP0446142.0 [2,0,0,0,0,0|2,0,0]=4 64 B12R1.30 CCCNC(=O)C1=CC=CC=C1 CNP0268362.0 [2,0,0,0,0,0|1,0,0]=3 65 B12R1.30 CCCOC(=O)C1=CC=CC=C1 CNP0261819.0 [2,0,0,0,0,0|0,0,0]=2 66 B12R1.30 NCCCC(=O)C1=CC=CC=N1 CNP0319250.0 [2,0,0,0,0,0|2,0,0]=4 67 B12R1.30 O=C(CCCCl)C1=CC=CC=C1 CNP0513261.0 [2,0,0,0,0,0|1,0,0]=3 68 B12R1.30 O=C(NCCO)C1=CC=CC=C1 CNP0563015.0 [2,0,0,0,0,0|2,0,0]=4 69 B12R1.30 O=C(OCCO)C1=CC=CC=C1 CNP0577678.0 [2,0,0,0,0,0|1,0,0]=3 70 B14R1.14 CCCCCCCC1=CC=C(C=C1)O CNP0506475.0 [1,1,0,0,0,0|1,0,1]=4 71 B14R1.14 CCCCCCOC1=CC=C(C=C1)O CNP0355656.0 [1,1,0,0,0,0|1,0,1]=4 72 B14R1.677 CC(=O)CCC=CC1=CC=C(C=C1)O CNP0249738.0 [1,1,0,0,0,0|1,0,1]=4 73 B14R1.677 C[C@H](O)CC/C=C/C1=CC=C(C=C1)O CNP0161748.1 [1,1,0,0,0,0|1,0,0]=3 74 B14R1.774 CCCCCCC1=CC=C(C=C1O)O CNP0335495.0 [1,1,0,0,0,0|1,0,1]=4 75 B14R1.10 COC(=O)CC(=O)C1=CC=C(C=C1)O CNP0317330.0 [1,1,0,0,0,0|1,0,1]=4 76 B14R1.35 CCOC(=O)C(=O)C1=CC=C(C=C1)O CNP0219617.0 [1,1,0,0,0,0|1,0,1]=4 77 B14R1.678 CC(=O)NCC(=O)C1=CC=C(C=C1)O CNP0408370.0 [1,1,0,0,0,0|1,0,1]=4 78 B14R1.678 CC(=O)OCC(=O)C1=CC=C(C=C1)O CNP0233235.0 [1,1,0,0,0,0|1,0,1]=4 79 B14R1.678 CC(C)COC(=O)C1=CC=C(C=C1)N CNP0329660.0 [1,1,0,0,0,0|1,0,0]=3 80 B14R1.678 CC(C)COC(=O)C1=CC=C(C=C1)O CNP0605339.0 [1,1,0,0,0,0|0,0,0]=2 81 B14R1.678 CN(C)CCC(=O)C1=CC=C(C=C1)Br CNP0466056.0 [1,1,0,0,0,0|2,0,0]=4 82 B14R1.20 CCCCOC(=O)C1=CC=CC(=C1)N CNP0039335.0 [1,1,0,0,0,0|0,0,0]=2 83 B14R1.38 CCCCCCC(=O)C1=CC=CC=N1 CNP0317762.0 [1,1,0,0,0,0|2,0,0]=4 84 B14R1.38 CCCCCOC(=O)C1=CC=CC=C1 CNP0333667.0 [1,1,0,0,0,0|0,0,0]=2 85 B14R1.46 CCCCNS(=O)(=O)C1=CC=CC=C1 CNP0249531.0 [1,1,0,0,0,0|2,0,0]=4 86 B14R1.163 CCC(C)COC(=O)C1=CC=CC=C1 CNP0266732.0 [1,1,0,0,0,0|0,0,0]=2 87 B14R1.163 O=C(OC[C@@H](O)CO)C1=CC=CC=C1 CNP0362518.1 [1,1,0,0,0,0|1,0,0]=3 88 B14R1.163 O=C(OC[C@H](O)CO)C1=CC=CC=C1 CNP0362518.2 [1,1,0,0,0,0|1,0,0]=3 89 B14R1.166 CCCCC(=O)C(=O)C1=CC=CC=C1 CNP0565444.0 [1,1,0,0,0,0|1,0,0]=3 90 B14R1.420 CC(=CCOC(=O)C1=CC=CC=C1)C CNP0611701.0 [1,1,0,0,0,0|0,0,2]=4 91 B14R1.420 CC(C)CCOC(=O)C1=CC=CC=C1 CNP0347277.0 [1,1,0,0,0,0|0,0,0]=2 92 B14R1.420 CN(C)CCOC(=O)C1=CC=CC=C1 CNP0453289.0 [1,1,0,0,0,0|1,0,0]=3 93 B14R1.1035 CCCCOC(=O)C1=CC=CC=C1Cl CNP0081712.0 [1,1,0,0,0,0|0,0,0]=2 94 B14R1.1035 CCCCOC(=O)C1=CC=CC=C1N CNP0239590.0 [1,1,0,0,0,0|0,0,0]=2 95 B14R1.1035 CCCCOC(=O)C1=CC=CC=C1O CNP0002458.0 [1,1,0,0,0,0|0,0,0]=2 96 B16R1.22086 CCCCOC(=O)CC1(C=CC(=O)C=C1)O CNP0303379.0 [0,1,0,0,0,1|0,0,2]=4 97 B16R1.58 CC(=CCO)COC(=O)C1=CC=C(C=C1)O CNP0154538.0 [0,2,0,0,0,0|0,0,2]=4 98 B16R1.58 CCCC(=O)NCC(=O)C1=CC=C(C=C1)O CNP0117998.0 [0,2,0,0,0,0|1,0,1]=4 99 B16R1.58 O=C(OC[C@@H](O)CCO)C1=CC=C(C=C1)O CNP0430655.1 [0,2,0,0,0,0|0,0,0]=2 100 B16R1.91 CCCCC=COC(=O)C1=CC=C(C=C1)O CNP0447043.0 [0,2,0,0,0,0|0,0,0]=2 101 B16R1.91 CCCCCCCC(=O)C1=CC=C(C=C1)O CNP0044610.0 [0,2,0,0,0,0|1,0,0]=3 102 B16R1.91 CCCCCCOC(=O)C1=CC=C(C=C1)O CNP0058720.0 [0,2,0,0,0,0|0,0,0]=2 103 B16R1.4603 CCCCCCC(=O)C1=CC=C(C=C1)C=O CNP0552338.0 [0,2,0,0,0,0|1,0,1]=4 104 B16R1.4603 CCCCCNC(=O)C1=CC=C(C=C1)OC CNP0497785.0 [0,2,0,0,0,0|1,0,0]=3 105 B16R1.4616 NCCCCNC(=O)C1=CC=C(C(=C1)O)O CNP0557282.0 [0,2,0,0,0,0|1,0,0]=3 106 B16R1.4616 O=C(NCCCCO)C1=CC=C(C(=C1)O)O CNP0435191.0 [0,2,0,0,0,0|1,0,0]=3 107 B16R1.215 COC1=CC=C(C=C1)C(=O)OC[C@@H](O)CCl CNP0309148.1 [0,2,0,0,0,0|1,0,0]=3 108 B16R1.215 COC1=CC=C(C=C1)C(=O)OC[C@H](O)CCl CNP0309148.2 [0,2,0,0,0,0|1,0,0]=3 109 B16R1.214 COC1=CC=C(C=C1)C(=O)OCCC(C)C CNP0002672.0 [0,2,0,0,0,0|0,0,0]=2 110 B16R1.1025 C[N+](C)(C)CCOC(=O)C1=CC=C(C=C1)O CNP0085913.0 [0,2,0,0,0,0|1,0,0]=3 111 B16R1.1025 C[N+](C)(C)CCOC(=O)C1=CC=C(C=C1)[O-] CNP0058948.0 [0,2,0,0,0,0|1,0,1]=4 112 B16R1.1734 CCOCCC(=O)C1=CC=C(C(=C1)OC)O CNP0334761.0 [0,2,0,0,0,0|2,0,0]=4 113 B16R1.3548 CCCCOC(=O)C1=CC(=C(C(=C1)O)O)O CNP0168219.0 [0,2,0,0,0,0|0,0,0]=2 114 B16R1.21625 CCCCOC(=O)C1=C(C=C(C=C1O)O)C CNP0144317.0 [0,2,0,0,0,0|0,0,0]=2 115 B14R2.72 CC1=CC=C(C=C1)C=C2CCCC2 CNP0033394.0 [1,0,0,1,0,0|2,0,0]=4 116 B14R2.928 CC1CN1C(=O)C2=CC=C(C=C2)Br CNP0158098.0 [1,0,0,1,0,0|2,0,0]=4 117 B14R2.8751 CC1=CC=C2C(=O)CCC(C2=C1)O CNP0563116.0 [1,0,0,1,0,0|2,0,0]=4 118 B14R2.8751 O=C1CC[C@@H](C2=CC(=CC=C12)O)O CNP0144783.2 [1,0,0,1,0,0|1,0,0]=3 119 B14R2.8751 O=C1CC[C@H](C2=CC(=CC=C12)O)O CNP0144783.1 [1,0,0,1,0,0|1,0,0]=3 120 B14R2.510 CCC=C1OC(=O)C2=CC=CC=C12 CNP0003339.0 [1,0,0,1,0,0|0,0,2]=4 121 B16R2.7547 CO[C@H]1CCC(=O)N1C2=CC=C(C=C2)O CNP0230249.1 [0,0,0,1,0,1|2,0,0]=4 122 B16R2.165527 CCCC=C1OC(=O)C2=CC=C(C=C12)O CNP0297169.0 [0,1,0,1,0,0|0,0,1]=3 123 B16R2.165527 CCCCC1OC(=O)C2=C1CC(C=C2)O CNP0085940.0 [0,1,0,1,0,0|0,0,2]=4 124 B16R2.165527 CCCCC1OC(=O)C2=CC=C(C=C12)O CNP0479511.0 [0,1,0,1,0,0|0,0,0]=2 125 B16R2.24666 CC1=CC=C2C(=O)CC[C@@H](C2=C1)C(C)C CNP0406173.2 [0,1,0,1,0,0|2,0,0]=4 126 B16R2.24666 CC1=CC=C2C(=O)CC[C@H](C2=C1)C(C)C CNP0406173.1 [0,1,0,1,0,0|2,0,0]=4 127 B16R2.3132 COC1=CC=C(C=C1)C(=O)OC[C@@H]2CO2 CNP0066784.2 [0,1,0,1,0,0|1,0,0]=3 128 B16R2.3132 COC1=CC=C(C=C1)C(=O)OC[C@H]2CO2 CNP0066784.1 [0,1,0,1,0,0|1,0,0]=3 129 B16R2.113583 CCC[C@@H]1OC(=O)C2=CC=C(C=C12)OC CNP0267857.1 [0,1,0,1,0,0|0,0,0]=2 130 B12R1.35 CCCCCC(=O)C1=CC=CO1 CNP0086014.0 [1,0,0,0,1,0|2,0,0]=4 131 B14R1.158 CCCCOC(=O)CC1=CC=CC=C1 CNP0002492.0 [1,0,0,0,0,1|0,0,0]=2