0 B13R1.337 CC(=O)C=CC=CC1=CC=CC=C1 CNP0296768.0 [0,0,0,0,0,0|1,0,3]=4 1 B13R1.337 CC(=O)C=CCCC1=CC=CC=C1 CNP0172070.0 [0,0,0,0,0,0|1,0,1]=2 2 B13R1.337 CC(=O)C=CNCC1=CC=CC=C1 CNP0417107.0 [0,0,0,0,0,0|2,0,1]=3 3 B13R1.337 CC(=O)OCC=CC1=CC=CC=C1 CNP0207222.0 [0,0,0,0,0,0|0,0,2]=2 4 B13R1.337 CC(=O)OCCCC1=CC=CC=C1 CNP0266306.0 [0,0,0,0,0,0|0,0,0]=0 5 B13R1.337 NC(=O)OCCCC1=CC=CC=C1 CNP0301747.0 [0,0,0,0,0,0|1,0,0]=1 6 B13R1.337 O=C(O)CC=CCC1=CC=CC=C1 CNP0286082.0 [0,0,0,0,0,0|2,0,2]=4 7 B13R1.337 O=C(O)CCC=CC1=CC=CC=C1 CNP0594952.0 [0,0,0,0,0,0|2,0,2]=4 8 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 CNP0097941.0 [0,0,0,0,0,0|2,0,0]=2 9 B13R1.337 O=C(O)CCCC[N+]1=CC=CC=C1 CNP0541520.0 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.8 CC=CC#CCC1=CC=CC=C1 CNP0266178.0 [1,0,0,0,0,0|1,0,2]=4 11 B12R1.8 CC=CC=CCC1=CC=CC=C1 CNP0076593.0 [1,0,0,0,0,0|1,0,2]=4 12 B12R1.8 CCCCCCC1=CC=CC=C1 CNP0276048.0 [1,0,0,0,0,0|1,0,1]=3 13 B12R1.8 CCCCCCC1=CC=CN=C1 CNP0002604.0 [1,0,0,0,0,0|2,0,1]=4 14 B12R1.8 CCCCOCC1=CC=CC=C1 CNP0003510.0 [1,0,0,0,0,0|2,0,1]=4 15 B12R1.8 O=COCC=CC1=CC=CC=C1 CNP0186643.0 [1,0,0,0,0,0|0,0,2]=3 16 B12R1.8 O=COCCCC1=CC=CC=C1 CNP0314153.0 [1,0,0,0,0,0|0,0,0]=1 17 B12R1.8 OCCCCCC1=CC=CC=C1 CNP0367476.0 [1,0,0,0,0,0|1,0,2]=4 18 B12R1.8 S=C=NCCCC1=CC=CC=C1 CNP0186955.0 [1,0,0,0,0,0|1,1,1]=4 19 B12R1.8 S=CC=NCCC1=CC=CC=C1 CNP0092045.0 [1,0,0,0,0,0|2,1,0]=4 20 B12R1.8 S=CC=[N+]CCC1=CC=CC=C1 CNP0524152.0 [1,0,0,0,0,0|2,1,0]=4 21 B14R1.148 O=C(O)CCCCC1=CC=CC(=C1)O CNP0179534.0 [0,1,0,0,0,0|2,0,0]=3 22 B14R1.159 CC(=O)OCC=CC1=CC=CC=C1O CNP0108630.0 [0,1,0,0,0,0|0,0,2]=3 23 B14R1.159 O=C(O)CCCCC1=CC=CC=C1O CNP0211877.0 [0,1,0,0,0,0|2,0,0]=3 24 B14R1.420 C[C@@H](CCCC(=O)O)C1=CC=CC=C1 CNP0446549.1 [0,1,0,0,0,0|2,0,0]=3 25 B14R1.420 C[C@H](CCCC(=O)O)C1=CC=CC=C1 CNP0446549.2 [0,1,0,0,0,0|2,0,0]=3 26 B14R1.420 NC(=O)CCCC(=O)C1=CC=CC=C1 CNP0117112.0 [0,1,0,0,0,0|2,0,1]=4 27 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 CNP0467044.0 [0,1,0,0,0,0|2,0,1]=4 28 B14R1.423 CC(=O)NC[C@@H](O)CC1=CC=CC=C1 CNP0429280.1 [0,1,0,0,0,0|1,0,0]=2 29 B14R1.423 C[C@@H](CCC(=O)O)CC1=CC=CC=C1 CNP0459573.2 [0,1,0,0,0,0|2,0,0]=3 30 B14R1.423 C[C@H](CCC(=O)O)CC1=CC=CC=C1 CNP0459573.1 [0,1,0,0,0,0|2,0,0]=3 31 B14R1.423 O=C(O)CCC(=O)CC1=CC=CC=C1 CNP0167736.0 [0,1,0,0,0,0|2,0,1]=4 32 B14R1.677 CC(=O)CCC=CC1=CC=C(C=C1)O CNP0249738.0 [0,1,0,0,0,0|1,0,2]=4 33 B14R1.677 CC(=O)OCC=CC1=CC=C(C=C1)O CNP0136768.0 [0,1,0,0,0,0|0,0,2]=3 34 B14R1.677 CC(=O)OCCCC1=CC=C(C=C1)O CNP0197993.0 [0,1,0,0,0,0|0,0,0]=1 35 B14R1.716 CCC(=O)C=CCCC1=CC=CC=C1 CNP0331645.0 [0,1,0,0,0,0|1,0,1]=3 36 B14R1.716 CCC(=O)CCCCC1=CC=CC=C1 CNP0547588.0 [0,1,0,0,0,0|1,0,0]=2 37 B14R1.716 CCC(=O)OCC=CC1=CC=CC=C1 CNP0002421.0 [0,1,0,0,0,0|0,0,2]=3 38 B14R1.716 CCC(=O)OCCCC1=CC=CC=C1 CNP0147172.0 [0,1,0,0,0,0|0,0,0]=1 39 B14R1.716 CCC(O)CCCCC1=CC=CC=C1 CNP0576842.0 [0,1,0,0,0,0|1,0,2]=4 40 B14R1.716 COC(O)CCCCC1=CC=CC=C1 CNP0609221.0 [0,1,0,0,0,0|1,0,2]=4 41 B14R1.818 CC(=C[C@@H](C)OCC1=CC=CC=C1)C CNP0049240.1 [0,1,0,0,0,0|3,0,0]=4 42 B14R1.818 CC(=C[C@H](C)OCC1=CC=CC=C1)C CNP0049240.2 [0,1,0,0,0,0|3,0,0]=4 43 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 CNP0232463.0 [0,1,0,0,0,0|2,0,1]=4 44 B14R1.818 CC(=O)CC(C)OCC1=CC=CC=C1 CNP0184746.0 [0,1,0,0,0,0|2,0,0]=3 45 B14R1.818 CC(=O)O[C@H](C)CCC1=CC=CC=C1 CNP0146654.1 [0,1,0,0,0,0|0,0,0]=1 46 B14R1.818 CC(C)OC(=O)CCC1=CC=CC=C1 CNP0542232.0 [0,1,0,0,0,0|1,0,2]=4 47 B14R1.818 CC(CCC1=CC=CC=C1)CC(=O)O CNP0526108.0 [0,1,0,0,0,0|2,0,0]=3 48 B14R1.818 O=C(O)C[C@H](O)CCC1=CC=CC=C1 CNP0246395.1 [0,1,0,0,0,0|2,0,0]=3 49 B14R1.6449 CC(=O)C(C)NCCC1=CC=CC=C1 CNP0204331.0 [0,1,0,0,0,0|2,0,0]=3 50 B14R1.6449 CC(=O)[C@@H](N)COCC1=CC=CC=C1 CNP0507142.1 [0,1,0,0,0,0|2,0,0]=3 51 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O CNP0404901.2 [0,1,0,0,0,0|3,0,0]=4 52 B14R1.6449 N[C@@H](CSCC1=CC=CC=C1)C(=O)O CNP0391051.1 [0,1,0,0,0,0|3,0,0]=4 53 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O CNP0404901.1 [0,1,0,0,0,0|3,0,0]=4 54 B14R1.6449 N[C@H](CSCC1=CC=CC=C1)C(=O)O CNP0391051.2 [0,1,0,0,0,0|3,0,0]=4 55 B14R1.6449 O=C(O)C(=O)CCCC1=CC=CC=C1 CNP0593415.0 [0,1,0,0,0,0|2,0,0]=3 56 B14R2.2 CC(=O)NN1CCC2=CC=CC=C12 CNP0134818.0 [0,0,0,1,0,0|2,0,0]=3 57 B14R2.2 CC(=O)OC1=CNC2=CC=CC=C12 CNP0174179.0 [0,0,0,1,0,0|1,0,2]=4 58 B14R2.19 O=C1C=C(CO1)CC2=CC=CC=C2 CNP0220173.0 [0,0,0,1,0,0|0,0,2]=3 59 B14R2.19 O=C1CC[C@@H](N1)CC2=CC=CC=C2 CNP0343477.1 [0,0,0,1,0,0|2,0,0]=3 60 B14R2.19 O=C1CC[C@@H](O1)CC2=CC=CC=C2 CNP0280677.1 [0,0,0,1,0,0|2,0,0]=3 61 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 CNP0490847.1 [0,0,0,1,0,0|1,0,0]=2 62 B14R2.21 O=C1CCN[C@H](C1)C2=CC=CC=C2 CNP0102925.1 [0,0,0,1,0,0|2,0,0]=3 63 B14R2.21 O=C1CCO[C@H](C1)C2=CC=CC=C2 CNP0112018.1 [0,0,0,1,0,0|2,0,0]=3 64 B14R2.31359 O=C(O)[C@@H]1CCCC2=CC=CC=C12 CNP0523932.2 [0,0,0,1,0,0|2,0,0]=3 65 B14R2.31359 O=C(O)[C@@H]1NCCC2=CC=CC=C12 CNP0009805.2 [0,0,0,1,0,0|3,0,0]=4 66 B14R2.31359 O=C(O)[C@H]1CCCC2=CC=CC=C12 CNP0523932.1 [0,0,0,1,0,0|2,0,0]=3 67 B14R2.31359 O=C(O)[C@H]1NCCC2=CC=CC=C12 CNP0009805.1 [0,0,0,1,0,0|3,0,0]=4 68 B12R1.252 CC(=CCCC1=CC=CC=C1)C CNP0046365.0 [0,0,0,0,1,0|1,0,1]=3 69 B12R1.252 CC(=O)C=NNC1=CC=CC=C1 CNP0071032.0 [0,0,0,0,1,0|2,0,1]=4 70 B12R1.252 CC(=O)NCCC1=CC=CC=C1 CNP0298057.0 [0,0,0,0,1,0|1,0,0]=2 71 B12R1.252 CC(=O)OCCC1=CC=CC=C1 CNP0195113.0 [0,0,0,0,1,0|0,0,0]=1 72 B12R1.252 NC(=O)CC=CC1=CC=CC=C1 CNP0073923.0 [0,0,0,0,1,0|1,0,2]=4 73 B12R1.252 NC(=O)NCCC1=CC=CC=C1 CNP0509449.0 [0,0,0,0,1,0|2,0,0]=3 74 B12R1.252 O=C(O)CC=CC1=CC=CC=C1 CNP0242436.0 [0,0,0,0,1,0|1,0,2]=4 75 B12R1.252 O=C(O)CCCC1=CC=CC=C1 CNP0152618.0 [0,0,0,0,1,0|1,0,0]=2 76 B12R1.252 O=C(O)CCCC1=CC=CN=C1 CNP0002375.0 [0,0,0,0,1,0|2,0,0]=3 77 B12R1.252 O=C(O)CCOC1=CC=CC=C1 CNP0002351.0 [0,0,0,0,1,0|2,0,0]=3 78 B12R1.252 O=C(O)CSCC1=CC=CC=C1 CNP0438400.0 [0,0,0,0,1,0|2,0,0]=3 79 B14R1.422 CC(C)CCCCCC1=CC=CC=C1 CNP0525810.0 [0,0,0,0,0,1|2,0,1]=4 80 B14R1.422 CC(C)CCOCCC1=CC=CC=C1 CNP0002392.0 [0,0,0,0,0,1|2,0,1]=4 81 B11R0.148 CCC=CC=CCCOC(=O)C CNP0192292.0 [1,0,1,0,0,0|0,0,2]=4 82 B11R0.3 C=CC=CC=CCCCCCC CNP0076022.0 [1,0,1,0,0,0|1,0,1]=4 83 B11R1.28 C=CCOCC1=CC=CC=C1 CNP0575563.0 [2,0,0,0,0,0|1,0,1]=4 84 B11R1.28 CC=CCCC1=CC=CC=C1 CNP0591592.0 [2,0,0,0,0,0|0,0,1]=3 85 B11R1.28 CC=CCCC1=CC=CC=N1 CNP0080786.0 [2,0,0,0,0,0|1,0,1]=4 86 B11R1.28 CCCCCC1=CC=CC=C1 CNP0180656.0 [2,0,0,0,0,0|0,0,1]=3 87 B11R1.28 CCCCCC1=CC=CC=N1 CNP0343431.0 [2,0,0,0,0,0|1,0,1]=4 88 B11R1.28 CCCCCC1=CC=CN=C1 CNP0268691.0 [2,0,0,0,0,0|1,0,1]=4 89 B11R1.28 CCCCNC1=CC=CC=C1 CNP0128874.0 [2,0,0,0,0,0|1,0,1]=4 90 B11R1.28 CCCCOC1=CC=CC=C1 CNP0581047.0 [2,0,0,0,0,0|1,0,1]=4 91 B11R1.28 CCNCCC1=CC=CC=C1 CNP0355449.0 [2,0,0,0,0,0|1,0,1]=4 92 B11R1.28 CCOCCC1=CC=CC=C1 CNP0162532.0 [2,0,0,0,0,0|0,0,1]=3 93 B11R1.28 COCCOC1=CC=CC=C1 CNP0511350.0 [2,0,0,0,0,0|1,0,0]=3 94 B11R1.28 NCCCCC1=CC=CC=C1 CNP0573837.0 [2,0,0,0,0,0|1,0,1]=4 95 B11R1.28 O=CC=CCC1=CC=CC=C1 CNP0157371.0 [2,0,0,0,0,0|0,0,2]=4 96 B11R1.28 O=COCCC1=CC=CC=C1 CNP0271229.0 [2,0,0,0,0,0|0,0,0]=2 97 B11R1.28 OCCCCC1=CC=CC=C1 CNP0531159.0 [2,0,0,0,0,0|0,0,2]=4 98 B13R1.9 CCCCCCC1=CC=C(C=C1)O CNP0504357.0 [1,1,0,0,0,0|1,0,1]=4 99 B13R1.24 CCCCCC(O)C1=CC=CC=C1 CNP0356148.0 [1,1,0,0,0,0|1,0,1]=4 100 B13R1.28 CCC=CCCCC1=CC=CC=N1 CNP0137989.0 [1,1,0,0,0,0|2,0,0]=4 101 B13R1.28 CCCCCCCC1=CC=CC=C1 CNP0084843.0 [1,1,0,0,0,0|1,0,1]=4 102 B13R1.28 OCCCCCCC1=CC=CC=C1 CNP0214808.0 [1,1,0,0,0,0|1,0,1]=4 103 B13R1.42 CC(CC=O)CCC1=CC=CC=C1 CNP0507165.0 [1,1,0,0,0,0|1,0,0]=3 104 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 CNP0131457.0 [1,1,0,0,0,0|0,0,2]=4 105 B13R1.555 CCCCCCC1=CC=CC=C1C CNP0102963.0 [1,1,0,0,0,0|1,0,1]=4 106 B13R1.718 COC(=O)CCCC1=CC=CC=C1 CNP0068339.0 [1,1,0,0,0,0|2,0,0]=4 107 B13R1.45 C=C(COC(=O)C)C1=CC=CC=C1 CNP0111069.0 [0,1,0,0,1,0|0,0,1]=3 108 B13R1.45 CC(=O)NCC(=O)C1=CC=CC=C1 CNP0232667.0 [0,1,0,0,1,0|1,0,1]=4 109 B13R1.45 CC(=O)NCC(O)C1=CC=CC=C1 CNP0575044.0 [0,1,0,0,1,0|1,0,0]=3 110 B13R1.45 CC(=O)OC=C(C)C1=CC=CC=C1 CNP0052211.0 [0,1,0,0,1,0|0,0,2]=4 111 B13R1.45 C[C@H](CCC(=O)O)C1=CC=CC=C1 CNP0372042.1 [0,1,0,0,1,0|1,0,0]=3 112 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 CNP0361310.2 [0,1,0,0,1,0|1,0,0]=3 113 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 CNP0361310.1 [0,1,0,0,1,0|1,0,0]=3 114 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 CNP0453495.0 [0,1,0,0,1,0|1,0,1]=4 115 B13R1.45 O=C(O)CCC(O)C1=CC=CN=C1 CNP0334963.0 [0,1,0,0,1,0|2,0,0]=4 116 B13R1.45 O=C(O)CC[C@@H](O)C1=CC=CC=C1 CNP0303655.1 [0,1,0,0,1,0|1,0,0]=3 117 B13R1.45 O=C(O)CC[C@H](O)C1=CC=CC=C1 CNP0303655.2 [0,1,0,0,1,0|1,0,0]=3 118 B13R1.149 CC(=O)CCCC1=CC=CC(=O)O1 CNP0288902.0 [0,1,0,0,1,0|1,0,0]=3 119 B13R1.149 CC(=O)OCCC1=CC=CC(=C1)O CNP0581912.0 [0,1,0,0,1,0|0,0,0]=2 120 B13R1.158 CC(=O)NCCC1=CC=CC=C1O CNP0308942.0 [0,1,0,0,1,0|1,0,0]=3 121 B13R1.158 O=C(O)CCCC1=CC=CC=C1O CNP0277650.0 [0,1,0,0,1,0|1,0,0]=3 122 B13R1.348 CC(=O)CC(=CC1=CC=CC=C1)C CNP0258512.0 [0,1,0,0,1,0|0,0,2]=4 123 B13R1.348 CC(=O)CC(=NC1=CC=CC=C1)C CNP0377921.0 [0,1,0,0,1,0|1,0,1]=4 124 B13R1.348 CC(=O)C[C@H](O)CC1=CC=CC=C1 CNP0264298.1 [0,1,0,0,1,0|0,0,0]=2 125 B13R1.348 CC(=O)N[C@@H](C)CC1=CC=CC=C1 CNP0071012.2 [0,1,0,0,1,0|1,0,0]=3 126 B13R1.348 CC(=O)N[C@H](C)CC1=CC=CC=C1 CNP0071012.1 [0,1,0,0,1,0|1,0,0]=3 127 B13R1.348 CC(C)CC(O)CC1=CC=CC=C1 CNP0003361.0 [0,1,0,0,1,0|1,0,1]=4 128 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 CNP0238803.0 [0,1,0,0,1,0|1,0,0]=3 129 B13R1.351 CC(=O)[C@@H](N)CCC1=CC=CC=C1 CNP0565249.1 [0,1,0,0,1,0|0,0,0]=2 130 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O CNP0082825.1 [0,1,0,0,1,0|1,0,0]=3 131 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O CNP0294633.1 [0,1,0,0,1,0|2,0,0]=4 132 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O CNP0082825.2 [0,1,0,0,1,0|1,0,0]=3 133 B13R1.351 O=C(O)[C@@H](O)COC1=CC=CC=C1 CNP0287022.1 [0,1,0,0,1,0|2,0,0]=4 134 B13R1.513 CC(=O)CC=CC1=CC=C(C=C1)O CNP0480900.0 [0,1,0,0,1,0|0,0,2]=4 135 B13R1.513 CC(=O)CCOC1=CC=C(C=C1)O CNP0081116.0 [0,1,0,0,1,0|1,0,0]=3 136 B13R1.513 CC(=O)NCCC1=CC=C(C=C1)O CNP0309556.0 [0,1,0,0,1,0|1,0,0]=3 137 B13R1.513 CC(=O)OCCC1=CC=C(C=C1)O CNP0363419.0 [0,1,0,0,1,0|0,0,0]=2 138 B13R1.513 C[C@H](O)CCCC1=CC=C(C=C1)O CNP0310570.1 [0,1,0,0,1,0|0,0,2]=4 139 B15R1.131 O=C(O)CCCCCC1=CC=CC=C1O CNP0194118.0 [0,1,0,0,0,1|2,0,0]=4 140 B15R1.3664 CC(C)C(=O)OCCCC1=CC=CC=C1 CNP0175627.0 [0,1,0,0,0,1|1,0,1]=4 141 B15R1.64 COC1=CC=CC(=C1)CCCCC(=O)O CNP0184870.0 [0,2,0,0,0,0|2,0,0]=4 142 B15R1.888 CC(=O)OCC=CC1=CC=C(C(=C1)O)O CNP0145945.0 [0,2,0,0,0,0|0,0,2]=4 143 B15R1.888 O=C(O)CCCCC1=CC=C(C(=C1)O)O CNP0173691.0 [0,2,0,0,0,0|2,0,0]=4 144 B15R1.5448 O=C(O)CCCCC1=CC(=CC(=C1)O)O CNP0533717.0 [0,2,0,0,0,0|2,0,0]=4 145 B15R1.84 O=C(O)CCCCC1=CC=CC=C1CO CNP0201270.0 [0,2,0,0,0,0|2,0,0]=4 146 B15R1.130 CC1=CC=CC=C1CC[C@@H](O)CC(=O)O CNP0081058.1 [0,2,0,0,0,0|2,0,0]=4 147 B15R1.8019 CC(=O)NCCC(=O)C1=CC=CC=C1N CNP0353255.0 [0,2,0,0,0,0|1,0,1]=4 148 B15R1.882 C=C(C)CCC[C@@H](C)C1=CC=C(C=C1)C CNP0295991.1 [0,2,0,0,0,0|2,0,0]=4 149 B15R1.882 CC(=CCC[C@@H](C)C1=CC=C(C=C1)C)C CNP0403286.2 [0,2,0,0,0,0|2,0,0]=4 150 B15R1.882 CC(=CCC[C@H](C)C1=CC=C(C=C1)C)C CNP0403286.1 [0,2,0,0,0,0|2,0,0]=4 151 B15R1.959 CCC(=O)CCCC(=O)C1=CC=CC=C1 CNP0212147.0 [0,2,0,0,0,0|1,0,1]=4 152 B15R1.1076 CC(=CC(C)CC(C)C1=CC=CC=C1)C CNP0075345.0 [0,2,0,0,0,0|2,0,0]=4 153 B15R1.4 COC1=CC=C(C=C1)C=CCOC(=O)C CNP0104493.0 [0,2,0,0,0,0|0,0,2]=4 154 B15R1.4 COC1=CC=C(C=C1)CCCOC(=O)C CNP0417711.0 [0,2,0,0,0,0|0,0,0]=2 155 B15R1.870 CC(=O)C[C@@H](O)CCC1=CC=C(C=C1)O CNP0091337.1 [0,2,0,0,0,0|1,0,0]=3 156 B15R1.870 O=C(O)C[C@@H](O)CCC1=CC=C(C=C1)O CNP0229031.1 [0,2,0,0,0,0|2,0,0]=4 157 B15R1.870 O=C(O)C[C@H](O)CCC1=CC=C(C=C1)O CNP0229031.2 [0,2,0,0,0,0|2,0,0]=4 158 B15R1.741 CCC(=O)C[C@H](O)CCC1=CC=CC=C1 CNP0272798.1 [0,2,0,0,0,0|1,0,0]=3 159 B15R1.778 CCCC(=O)OCC=CC1=CC=CC=C1 CNP0002420.0 [0,2,0,0,0,0|0,0,2]=4 160 B15R1.1321 CNC(=O)C(=O)NCCC1=CC=CC=C1 CNP0588496.0 [0,2,0,0,0,0|2,0,0]=4 161 B15R1.12240 CC(=O)OC(C)(C)CCC1=CC=CC=C1 CNP0199576.0 [0,2,0,0,0,0|0,0,0]=2 162 B15R1.3010 O=C(O)[C@@H](CS)CCCC1=CC=CC=C1 CNP0598906.1 [0,2,0,0,0,0|2,0,0]=4 163 B13R2.3 C1=CC=C(C=C1)C2CCCCC2 CNP0320256.0 [1,0,0,1,0,0|1,0,1]=4 164 B13R2.3 C1=CC=C(C=C1)C2CCCNC2 CNP0501853.0 [1,0,0,1,0,0|2,0,0]=4 165 B13R2.3 C1=CC=C(C=C1)N2CCOCC2 CNP0109019.0 [1,0,0,1,0,0|1,0,1]=4 166 B13R2.1028 CCCC[C@@H]1CC2=CC=CC=C12 CNP0172495.2 [1,0,0,1,0,0|1,0,1]=4 167 B13R2.1028 CCCC[C@H]1CC2=CC=CC=C12 CNP0172495.1 [1,0,0,1,0,0|1,0,1]=4 168 B13R2.1613 O=CN1CCCC2=CC=CC=C12 CNP0610512.0 [1,0,0,1,0,0|1,0,0]=3 169 B13R2.10 CC1=NN(CC1)C2=CC=CC=C2 CNP0058604.0 [0,0,0,1,1,0|2,0,0]=4 170 B13R2.10 O=C1C=C(CO1)C2=CC=CC=C2 CNP0352665.0 [0,0,0,1,1,0|0,0,2]=4 171 B13R2.10 O=C1CC[C@H](N1)C2=CC=CN=C2 CNP0119552.1 [0,0,0,1,1,0|2,0,0]=4 172 B13R2.10 O=C1NC[C@@H](O1)C2=CC=CC=C2 CNP0207381.1 [0,0,0,1,1,0|2,0,0]=4 173 B13R2.10 O=C1NC[C@H](O1)C2=CC=CC=C2 CNP0207381.2 [0,0,0,1,1,0|2,0,0]=4 174 B13R2.31 O=C1C[C@H](N1)SC2=CC=CC=C2 CNP0064455.1 [0,0,0,1,1,0|2,0,0]=4 175 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 CNP0306656.4 [0,0,0,1,1,0|1,0,0]=3 176 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 CNP0306656.1 [0,0,0,1,1,0|1,0,0]=3 177 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 CNP0306656.3 [0,0,0,1,1,0|1,0,0]=3 178 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 CNP0306656.2 [0,0,0,1,1,0|1,0,0]=3 179 B13R2.5881 CC(=O)C=C1CC2=CC=CC=C12 CNP0132730.0 [0,0,0,1,1,0|0,0,2]=4 180 B13R2.5881 CC(=O)N[C@@H]1CC2=CC=CC=C12 CNP0067507.2 [0,0,0,1,1,0|1,0,0]=3 181 B13R2.5881 CC(=O)N[C@H]1CC2=CC=CC=C12 CNP0067507.1 [0,0,0,1,1,0|1,0,0]=3 182 B13R2.5881 CC(=O)O[C@@H]1CC2=CC=CC=C12 CNP0044409.1 [0,0,0,1,1,0|0,0,0]=2 183 B13R2.5881 CC(=O)O[C@H]1CC2=CC=CC=C12 CNP0044409.2 [0,0,0,1,1,0|0,0,0]=2 184 B15R2.6 CC(=O)NC[C@@H]1COC2=CN=CC=C12 CNP0189168.1 [0,0,0,1,0,1|2,0,0]=4 185 B15R2.6 CC(=O)NC[C@H]1COC2=CN=CC=C12 CNP0189168.2 [0,0,0,1,0,1|2,0,0]=4 186 B15R2.6 CC(=O)OCC1C=CC2=CC=CC=C12 CNP0489008.0 [0,0,0,1,0,1|0,0,1]=3 187 B15R2.63 CC(=O)N1CCC[C@H]1C2=CC=CN=C2 CNP0325765.1 [0,0,0,1,0,1|2,0,0]=4 188 B15R2.63 CC(=O)N1N=CC[C@@H]1C2=CC=CC=C2 CNP0070667.2 [0,0,0,1,0,1|1,0,1]=4 189 B15R2.63 CC(=O)N1N=CC[C@H]1C2=CC=CC=C2 CNP0070667.1 [0,0,0,1,0,1|1,0,1]=4 190 B15R2.1115 O=C1CC[C@@H](O1)CC2=CC=CC(=C2)O CNP0298256.1 [0,1,0,1,0,0|2,0,0]=4 191 B15R2.1115 O=C1CC[C@H](O1)CC2=CC=CC(=C2)O CNP0298256.2 [0,1,0,1,0,0|2,0,0]=4 192 B15R2.59 CC(=O)N1CCC(=N1)C2=CC=CC=C2 CNP0040779.0 [0,1,0,1,0,0|1,0,1]=4 193 B15R2.297 O=C1CC[C@H](O1)[C@@H](O)C2=CC=CC=C2 CNP0402320.1 [0,1,0,1,0,0|2,0,0]=4 194 B15R2.53147 CC(=O)OC1=C[C@@H](C2=CC=CC=C12)C CNP0023443.1 [0,1,0,1,0,0|0,0,2]=4 195 B15R2.53147 CC(=O)OC1=C[C@H](C2=CC=CC=C12)C CNP0023443.2 [0,1,0,1,0,0|0,0,2]=4 196 B15R2.53147 CC(=O)O[C@@H]1C=C(C2=CC=CC=C12)C CNP0151301.1 [0,1,0,1,0,0|0,0,2]=4 197 B15R2.53147 CC(=O)O[C@@H]1OC(=O)C2=CC=CC=C12 CNP0051044.1 [0,1,0,1,0,0|1,0,1]=4 198 B15R2.53147 CC(=O)O[C@H]1C=C(C2=CC=CC=C12)C CNP0151301.2 [0,1,0,1,0,0|0,0,2]=4 199 B15R2.53147 CC(=O)O[C@H]1OC(=O)C2=CC=CC=C12 CNP0051044.2 [0,1,0,1,0,0|1,0,1]=4 200 B15R2.29 O=C1CCN(CC1)CC2=CC=CC=C2 CNP0071240.0 [0,1,0,1,0,0|2,0,0]=4 201 B15R2.28 O=C1CCC[C@@H](O1)C2=CC=C(C=C2)O CNP0270866.1 [0,1,0,1,0,0|2,0,0]=4 202 B15R2.98 O=C1CCC(O1)CC2=CC=C(C=C2)O CNP0274138.0 [0,1,0,1,0,0|2,0,0]=4 203 B15R2.4 CCC(=O)NN1CCC2=CC=CC=C12 CNP0092770.0 [0,1,0,1,0,0|2,0,0]=4 204 B15R2.27 CC1=C[C@@H](CC(=O)O1)C2=CC=CC=C2 CNP0246599.2 [0,1,0,1,0,0|0,0,2]=4 205 B15R2.27 CC1=C[C@H](CC(=O)O1)C2=CC=CC=C2 CNP0246599.1 [0,1,0,1,0,0|0,0,2]=4 206 B15R2.325 O=C1C[C@@H]([C@@H](N1)CC2=CC=CC=C2)O CNP0265893.1 [0,1,0,1,0,0|2,0,0]=4 207 B15R2.325 O=C1C[C@H]([C@H](N1)CC2=CC=CC=C2)O CNP0265893.2 [0,1,0,1,0,0|2,0,0]=4 208 B15R2.1162 CC(=O)N1C2=CC=CC=C2CC[C@@H]1C CNP0270057.2 [0,1,0,1,0,0|1,0,0]=3 209 B15R2.1162 CC(=O)N1C2=CC=CC=C2CC[C@H]1C CNP0270057.1 [0,1,0,1,0,0|1,0,0]=3 210 B15R2.314 O=C1O[C@@H](C[C@@H]1O)CC2=CC=CC=C2 CNP0357970.3 [0,1,0,1,0,0|2,0,0]=4 211 B15R2.314 O=C1O[C@@H](C[C@H]1O)CC2=CC=CC=C2 CNP0357970.1 [0,1,0,1,0,0|2,0,0]=4 212 B15R2.314 O=C1O[C@H](C[C@@H]1O)CC2=CC=CC=C2 CNP0357970.2 [0,1,0,1,0,0|2,0,0]=4 213 B15R2.16364 N[C@@]1(CCCC2=CC=CC=C12)C(=O)O CNP0597712.2 [0,1,0,1,0,0|2,0,0]=4 214 B15R2.16364 N[C@]1(CCCC2=CC=CC=C12)C(=O)O CNP0597712.1 [0,1,0,1,0,0|2,0,0]=4 215 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [0,0,0,0,2,0|1,0,1]=4 216 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [0,0,0,0,2,0|0,0,2]=4 217 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [0,0,0,0,2,0|0,0,0]=2 218 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [0,0,0,0,2,0|0,0,0]=2 219 B11R1.91 CC(=O)ONC1=CC=CC=C1 CNP0256903.0 [0,0,0,0,2,0|1,0,0]=3 220 B11R1.91 CC(C)CCC1=CC=CC=C1 CNP0088598.0 [0,0,0,0,2,0|1,0,1]=4 221 B11R1.91 CN(C)CCC1=CC=CC=C1 CNP0261348.0 [0,0,0,0,2,0|2,0,0]=4 222 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 CNP0154609.1 [0,0,0,0,2,0|0,0,2]=4 223 B11R1.91 NC(=O)CCC1=CC=CC=C1 CNP0190126.0 [0,0,0,0,2,0|1,0,0]=3 224 B11R1.91 NC(=O)COC1=CC=CC=C1 CNP0071085.0 [0,0,0,0,2,0|2,0,0]=4 225 B11R1.91 NC(=O)NCC1=CC=CC=C1 CNP0071045.0 [0,0,0,0,2,0|2,0,0]=4 226 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 CNP0330120.0 [0,0,0,0,2,0|1,0,0]=3 227 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [0,0,0,0,2,0|1,0,0]=3 228 B11R1.91 O=C(O)CNC1=CC=CC=C1 CNP0458877.0 [0,0,0,0,2,0|2,0,0]=4 229 B11R1.91 O=C(O)COC1=CC=CC=C1 CNP0231951.0 [0,0,0,0,2,0|2,0,0]=4 230 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [0,0,0,0,2,0|2,0,0]=4 231 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CNP0605764.0 [0,0,0,0,2,0|2,0,0]=4 232 B11R1.172 CC(=O)CCCC1=CC=CO1 CNP0518396.0 [0,0,0,0,2,0|1,0,0]=3 233 B11R1.172 O=C(O)CCCC1=CC=CS1 CNP0560045.0 [0,0,0,0,2,0|2,0,0]=4