0 B9R1.13 CC(=O)CC1=CC=CO1 CNP0006332.0 [0,0,0,0,0,0|0,0,0]=0 1 B9R1.13 CC(=O)NC1=NC=CS1 CNP0054817.0 [0,0,0,0,0,0|2,1,0]=3 2 B9R1.13 CC(=O)NC1=NNC=C1 CNP0230807.0 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.13 CC(=O)OC1=CC=CO1 CNP0343204.0 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.13 CC(=O)OC1=CNN=C1 CNP0168778.0 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.13 CC(C)CC1=CC=CS1 CNP0326007.0 [0,0,0,0,0,0|1,1,1]=3 6 B9R1.13 CC(C)CC1=NC=CS1 CNP0300517.0 [0,0,0,0,0,0|2,1,1]=4 7 B9R1.13 N=C(N)CC1=CN=CN1 CNP0480916.0 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.13 O=C(O)CC1=CC=CS1 CNP0036225.0 [0,0,0,0,0,0|1,1,0]=2 9 B9R1.13 O=C(O)CC1=CN=CN1 CNP0253943.0 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.13 O=C(O)CC1=CNC=N1 CNP0530503.0 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.13 O=C(O)CC1=CSC=C1 CNP0525463.0 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.13 O=C(O)CN1C=CN=C1 CNP0251391.0 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.13 O=C(O)C[C@@H]1C=CCC1 CNP0371740.1 [0,0,0,0,0,0|2,0,2]=4 14 B9R1.13 O=C(O)C[C@H]1C=CCC1 CNP0371740.2 [0,0,0,0,0,0|2,0,2]=4 15 B8R1.8 C=CCC1=CC=CO1 CNP0320251.0 [1,0,0,0,0,0|0,0,1]=2 16 B8R1.8 C=CCN1C=CC=C1 CNP0126434.0 [1,0,0,0,0,0|2,0,1]=4 17 B8R1.8 CC=CC1=CC=CO1 CNP0546810.0 [1,0,0,0,0,0|0,0,1]=2 18 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [1,0,0,0,0,0|0,0,1]=2 19 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [1,0,0,0,0,0|0,1,1]=3 20 B8R1.8 CCCN1C=CC=C1 CNP0269776.0 [1,0,0,0,0,0|2,0,1]=4 21 B8R1.8 COCC1=CC=CO1 CNP0352777.0 [1,0,0,0,0,0|1,0,0]=2 22 B8R1.8 CSCC1=CC=CO1 CNP0210832.0 [1,0,0,0,0,0|1,0,0]=2 23 B8R1.8 CSSC1=CC=CS1 CNP0077836.0 [1,0,0,0,0,0|2,1,0]=4 24 B8R1.8 N#CCC1=CC=CS1 CNP0035318.0 [1,0,0,0,0,0|1,1,1]=4 25 B8R1.8 O=CCC1=CC=CO1 CNP0576959.0 [1,0,0,0,0,0|0,0,0]=1 26 B8R1.8 O=CCC1=CN=CN1 CNP0573000.0 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.8 O=CCC1=CNC=N1 CNP0083568.0 [1,0,0,0,0,0|2,0,0]=3 28 B8R1.8 O=CCC1CC=CC1 CNP0086435.0 [1,0,0,0,0,0|1,0,2]=4 29 B8R1.8 OCCC1=CC=CS1 CNP0577450.0 [1,0,0,0,0,0|0,1,2]=4 30 B10R1.23 CC(=O)C(=O)C1=CC=CO1 CNP0137174.0 [0,1,0,0,0,0|0,0,1]=2 31 B10R1.23 CC(=O)C(=O)C1=CC=CS1 CNP0002573.0 [0,1,0,0,0,0|0,1,1]=3 32 B10R1.23 CC(=O)C(=O)C1=COC=C1 CNP0289332.0 [0,1,0,0,0,0|2,0,1]=4 33 B10R1.23 CC(C)C(=O)C1=CC=CO1 CNP0536429.0 [0,1,0,0,0,0|1,0,2]=4 34 B10R1.23 NC(C(=O)O)C1=CNC=N1 CNP0311493.0 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 CNP0491951.1 [0,1,0,0,0,0|1,1,0]=3 36 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 CNP0491951.2 [0,1,0,0,0,0|1,1,0]=3 37 B10R1.27 CC(=CC1=CC=CO1)C=O CNP0085269.0 [0,1,0,0,0,0|0,0,1]=2 38 B10R1.27 CC(=CC1=COC=C1)C=O CNP0316442.0 [0,1,0,0,0,0|2,0,1]=4 39 B10R1.27 CCC(=O)CC1=CC=CO1 CNP0611998.0 [0,1,0,0,0,0|0,0,0]=1 40 B10R1.27 O=C(CO)CC1=CNC=N1 CNP0114886.0 [0,1,0,0,0,0|2,0,0]=3 41 B10R1.54 CC(=O)CC1=CC=C(O1)C CNP0609799.0 [0,1,0,0,0,0|0,0,0]=1 42 B10R1.54 CC(=O)NC1=NOC(=C1)C CNP0569291.0 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.54 CC(=O)N[C@@H]1C=CC(=O)O1 CNP0482331.1 [0,1,0,0,0,0|1,0,1]=3 44 B10R1.54 CN1C=NC(=C1)CC(=O)O CNP0033258.0 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.54 O=C(Cl)C[C@H]1C=CC(=O)O1 CNP0017575.1 [0,1,0,0,0,0|1,0,1]=3 46 B10R1.54 O=C(O)C=C1C=CC(=O)O1 CNP0438543.0 [0,1,0,0,0,0|1,0,1]=3 47 B10R1.54 O=C(O)CC1=CCC(=O)O1 CNP0288626.0 [0,1,0,0,0,0|1,0,1]=3 48 B10R1.54 O=C(O)CN1C=CC(=O)O1 CNP0301133.0 [0,1,0,0,0,0|2,0,0]=3 49 B10R1.54 O=C(O)C[C@@H]1C=CC(=O)O1 CNP0273929.2 [0,1,0,0,0,0|1,0,1]=3 50 B10R1.54 O=C(O)C[C@H]1C=CC(=O)O1 CNP0273929.1 [0,1,0,0,0,0|1,0,1]=3 51 B10R1.64 CC(=O)CC1=C(C=CO1)C CNP0076562.0 [0,1,0,0,0,0|0,0,0]=1 52 B10R1.64 CC(=O)C[N+]1=C(SC=C1)N CNP0595155.0 [0,1,0,0,0,0|3,0,0]=4 53 B10R1.64 CC1=C(SC=N1)CC(=O)O CNP0480742.0 [0,1,0,0,0,0|2,1,0]=4 54 B10R1.64 CN1C=NC=C1CC(=O)O CNP0052023.0 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.281 C[N+](C)(C)CC1=CC=CO1 CNP0606756.0 [0,1,0,0,0,0|2,0,0]=3 56 B8R0.5 C/C=C/[C@@H](O)CC(=O)O CNP0087305.2 [0,0,1,0,0,0|1,0,2]=4 57 B8R0.5 C/C=C/[C@H](O)CC(=O)O CNP0087305.1 [0,0,1,0,0,0|1,0,2]=4 58 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [0,0,1,0,0,0|1,0,2]=4 59 B8R0.7 C=CCCC=CC(=O)C CNP0360839.0 [0,0,1,0,0,0|1,0,2]=4 60 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [0,0,1,0,0,0|1,0,2]=4 61 B8R0.7 CC=CC=CC=C(C)C CNP0533227.0 [0,0,1,0,0,0|2,0,1]=4 62 B8R0.7 CC=CCC=CC(=O)C CNP0611711.0 [0,0,1,0,0,0|1,0,2]=4 63 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [0,0,1,0,0,0|1,0,2]=4 64 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [0,0,1,0,0,0|1,0,2]=4 65 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [0,0,1,0,0,0|1,0,2]=4 66 B10R2.71 O=C1C[C@H]2C=C[C@@H](C1)C2 CNP0061415.1 [0,0,0,1,0,0|1,0,2]=4 67 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [0,0,0,0,1,0|2,0,0]=3 68 B8R1.7 CC(=O)C1=CC=CN1 CNP0200282.0 [0,0,0,0,1,0|1,0,0]=2 69 B8R1.7 CC(=O)C1=CC=CO1 CNP0350272.0 [0,0,0,0,1,0|0,0,0]=1 70 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [0,0,0,0,1,0|0,1,0]=2 71 B8R1.7 CC(=O)C1=CSC=C1 CNP0011841.0 [0,0,0,0,1,0|2,0,0]=3 72 B8R1.7 CC(=O)C1=NC=CO1 CNP0002710.0 [0,0,0,0,1,0|1,0,0]=2 73 B8R1.7 CC(=O)C1=NC=CS1 CNP0309193.0 [0,0,0,0,1,0|1,1,0]=3 74 B8R1.7 CC(=O)C1CC=CO1 CNP0077183.0 [0,0,0,0,1,0|0,0,2]=3 75 B8R1.7 CC(=O)N1C=CC=C1 CNP0238192.0 [0,0,0,0,1,0|2,0,0]=3 76 B8R1.7 CC(=O)N1C=CCC1 CNP0356664.0 [0,0,0,0,1,0|2,0,1]=4 77 B8R1.7 CC(=O)N1C=CN=C1 CNP0241131.0 [0,0,0,0,1,0|3,0,0]=4 78 B8R1.7 CC(C)C1=CC=CO1 CNP0319919.0 [0,0,0,0,1,0|1,0,1]=3 79 B8R1.7 CC(O)C1=CC=CO1 CNP0421357.0 [0,0,0,0,1,0|0,0,2]=3 80 B8R1.7 CC(S)C1=CC=CO1 CNP0002637.0 [0,0,0,0,1,0|0,1,1]=3 81 B8R1.7 NC(=O)C1=CC=CN1 CNP0365861.0 [0,0,0,0,1,0|2,0,0]=3 82 B8R1.7 NC(=O)C1=CC=CO1 CNP0268469.0 [0,0,0,0,1,0|1,0,0]=2 83 B8R1.7 NC(=O)C1=CN=CN1 CNP0585568.0 [0,0,0,0,1,0|3,0,0]=4 84 B8R1.7 NC(=O)C1=CNC=N1 CNP0130014.0 [0,0,0,0,1,0|3,0,0]=4 85 B8R1.7 NC(=O)C1=NNC=C1 CNP0117366.0 [0,0,0,0,1,0|3,0,0]=4 86 B8R1.7 O=C(Cl)C1=COC=C1 CNP0176972.0 [0,0,0,0,1,0|3,0,0]=4 87 B8R1.7 O=C(O)C1=CC=CN1 CNP0331002.0 [0,0,0,0,1,0|2,0,0]=3 88 B8R1.7 O=C(O)C1=CC=CO1 CNP0264313.0 [0,0,0,0,1,0|1,0,0]=2 89 B8R1.7 O=C(O)C1=CN=CN1 CNP0581478.0 [0,0,0,0,1,0|3,0,0]=4 90 B8R1.7 O=C(O)C1=CNC=C1 CNP0207521.0 [0,0,0,0,1,0|3,0,0]=4 91 B8R1.7 O=C(O)C1=CNC=N1 CNP0458584.0 [0,0,0,0,1,0|3,0,0]=4 92 B8R1.7 O=C(O)C1=COC=C1 CNP0199311.0 [0,0,0,0,1,0|3,0,0]=4 93 B8R1.7 O=C(O)C1=CSC=C1 CNP0476270.0 [0,0,0,0,1,0|3,0,0]=4 94 B8R1.7 O=C(O)C1=CSC=N1 CNP0506854.0 [0,0,0,0,1,0|3,0,0]=4 95 B8R1.7 O=C(O)C1=NNC=C1 CNP0261181.0 [0,0,0,0,1,0|3,0,0]=4 96 B8R1.7 O=[N+]([O-])C1=CC=CS1 CNP0489740.0 [0,0,0,0,1,0|2,1,0]=4 97 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [0,0,0,0,0,1|2,0,0]=3 98 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [0,0,0,0,0,1|2,0,1]=4 99 B10R1.18 CC(=CC1=CC=CCC1)C CNP0608490.0 [0,0,0,0,0,1|2,0,1]=4 100 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [0,0,0,0,0,1|3,0,0]=4 101 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [0,0,0,0,0,1|1,0,0]=2 102 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [0,0,0,0,0,1|2,0,0]=3 103 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [0,0,0,0,0,1|2,0,0]=3 104 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [0,0,0,0,0,1|2,0,0]=3 105 B10R1.18 CC(=O)OC1=CCC=CO1 CNP0436618.0 [0,0,0,0,0,1|1,0,0]=2 106 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [0,0,0,0,0,1|2,1,0]=4 107 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [0,0,0,0,0,1|2,0,1]=4 108 B10R1.18 CC(C)CC1=CC=CC=N1 CNP0356963.0 [0,0,0,0,0,1|2,0,1]=4 109 B10R1.18 CC(C)CC1=CC=CN=C1 CNP0002829.0 [0,0,0,0,0,1|2,0,1]=4 110 B10R1.18 CC(C)CC1=CN=CC=N1 CNP0525253.0 [0,0,0,0,0,1|2,0,1]=4 111 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [0,0,0,0,0,1|3,0,0]=4 112 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [0,0,0,0,0,1|2,0,1]=4 113 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [0,0,0,0,0,1|2,0,1]=4 114 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [0,0,0,0,0,1|2,0,1]=4 115 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [0,0,0,0,0,1|2,0,1]=4 116 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [0,0,0,0,0,1|3,0,0]=4 117 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [0,0,0,0,0,1|2,0,0]=3 118 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 CNP0486406.0 [0,0,0,0,0,1|3,0,0]=4 119 B10R1.18 NC(=O)NC1=CC=CC=C1 CNP0279748.0 [0,0,0,0,0,1|3,0,0]=4 120 B10R1.18 NC(=S)CC1=CC=CC=N1 CNP0060644.0 [0,0,0,0,0,1|2,1,0]=4 121 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [0,0,0,0,0,1|2,0,0]=3 122 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [0,0,0,0,0,1|2,0,0]=3 123 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [0,0,0,0,0,1|2,0,0]=3 124 B10R1.18 O=C(O)CC1=CC=CN=C1 CNP0105682.0 [0,0,0,0,0,1|2,0,0]=3 125 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [0,0,0,0,0,1|2,0,0]=3 126 B10R1.66 CC(=O)C=CC1=CC=CO1 CNP0253881.0 [0,0,0,0,0,1|0,0,1]=2 127 B10R1.66 CC(=O)OCC1=CC=CO1 CNP0413526.0 [0,0,0,0,0,1|0,0,0]=1 128 B10R1.66 CC(=O)SCC1=CC=CO1 CNP0018548.0 [0,0,0,0,0,1|0,0,0]=1 129 B10R1.66 CC(C)SCC1=CC=CO1 CNP0002931.0 [0,0,0,0,0,1|1,0,1]=3 130 B10R1.66 NC(=O)C=CC1=CC=CO1 CNP0083004.0 [0,0,0,0,0,1|1,0,1]=3 131 B10R1.66 O=C(O)C=CC1=CC=CO1 CNP0477259.0 [0,0,0,0,0,1|1,0,1]=3 132 B10R1.66 O=C(O)CCC1=CN=CN1 CNP0491849.0 [0,0,0,0,0,1|3,0,0]=4 133 B10R1.66 O=C(O)CCC1=CNC=N1 CNP0199628.0 [0,0,0,0,0,1|3,0,0]=4 134 B10R1.66 O=C(O)CCC1=COC=N1 CNP0072528.0 [0,0,0,0,0,1|3,0,0]=4 135 B10R1.66 O=[N+]([O-])C=CC1=CC=CO1 CNP0511622.0 [0,0,0,0,0,1|2,0,1]=4 136 B7R0.2 C=C[C@H](O)CC(=O)O CNP0357372.1 [1,0,1,0,0,0|1,0,1]=4 137 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [1,0,1,0,0,0|1,0,1]=4 138 B7R0.4 C=C(C)C=CC=CC CNP0393137.0 [1,0,1,0,0,0|2,0,0]=4 139 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [1,0,1,0,0,0|1,0,0]=3 140 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [1,0,1,0,0,0|2,0,0]=4 141 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [1,0,1,0,0,0|0,0,2]=4 142 B7R0.1 CC=CC=CC=CC CNP0185443.0 [1,0,1,0,0,0|1,0,1]=4 143 B7R0.1 CC=CC=CCCC CNP0275494.0 [1,0,1,0,0,0|1,0,1]=4 144 B7R0.1 CCCC=CC=CO CNP0524724.0 [1,0,1,0,0,0|0,0,1]=3 145 B7R0.1 O=CC=CC=CC=O CNP0204128.0 [1,0,1,0,0,0|0,0,2]=4 146 B7R0.1 O=CC=CC=CCO CNP0296757.0 [1,0,1,0,0,0|0,0,2]=4 147 B7R1.1 C=CC1=CC=CO1 CNP0554274.0 [2,0,0,0,0,0|0,0,1]=3 148 B7R1.1 C=CC1=CC=CS1 CNP0141578.0 [2,0,0,0,0,0|0,1,1]=4 149 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [2,0,0,0,0,0|0,0,0]=2 150 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [2,0,0,0,0,0|0,1,0]=3 151 B7R1.1 CCC1=COC=C1 CNP0136418.0 [2,0,0,0,0,0|2,0,0]=4 152 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [2,0,0,0,0,0|2,0,0]=4 153 B7R1.1 CCC1=NC=CS1 CNP0206637.0 [2,0,0,0,0,0|1,1,0]=4 154 B7R1.1 CCN1C=CC=C1 CNP0076212.0 [2,0,0,0,0,0|2,0,0]=4 155 B7R1.1 COC1=CC=CN1 CNP0098587.0 [2,0,0,0,0,0|2,0,0]=4 156 B7R1.1 N#CC1=CC=CO1 CNP0171436.0 [2,0,0,0,0,0|1,0,1]=4 157 B7R1.1 O=CC1=CC=CN1 CNP0105766.0 [2,0,0,0,0,0|1,0,0]=3 158 B7R1.1 O=CC1=CC=CO1 CNP0178160.0 [2,0,0,0,0,0|0,0,0]=2 159 B7R1.1 O=CC1=CC=CS1 CNP0079082.0 [2,0,0,0,0,0|0,1,0]=3 160 B7R1.1 O=CC1=COC=C1 CNP0234092.0 [2,0,0,0,0,0|2,0,0]=4 161 B7R1.1 O=CC1=CSC=C1 CNP0351223.0 [2,0,0,0,0,0|2,0,0]=4 162 B7R1.1 O=CN1C=CC=C1 CNP0265883.0 [2,0,0,0,0,0|2,0,0]=4 163 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [2,0,0,0,0,0|0,0,1]=3 164 B7R1.1 OCC1=CC=CS1 CNP0037393.0 [2,0,0,0,0,0|0,1,1]=4 165 B7R1.1 SCC1=CC=CO1 CNP0246335.0 [2,0,0,0,0,0|0,1,0]=3 166 B7R1.1 SCC1=CC=CS1 CNP0040483.0 [2,0,0,0,0,0|0,2,0]=4 167 B9R0.53 C=C(C)C=C(C)CC(=C)C CNP0509803.0 [0,1,1,0,0,0|2,0,0]=4 168 B9R0.53 CC(=O)C=C(O)C=C(O)O CNP0479225.0 [0,1,1,0,0,0|1,0,1]=4 169 B9R0.1 CC(=O)C=CC=C(C)CO CNP0040353.0 [0,1,1,0,0,0|0,0,2]=4 170 B9R0.1 CC(=O)CCC=C(C)CO CNP0278208.0 [0,1,1,0,0,0|0,0,2]=4 171 B9R0.2 CC=CC=CCCC(=O)C CNP0426415.0 [0,1,1,0,0,0|1,0,0]=3 172 B9R0.46 CCC(=O)C=CC=CCO CNP0451824.0 [0,1,1,0,0,0|0,0,2]=4 173 B9R0.55 CC(=O)NCC=CC(=O)O CNP0164677.0 [0,1,1,0,0,0|1,0,1]=4 174 B9R0.55 O=C(O)C=CC=CC(=O)O CNP0248591.0 [0,1,1,0,0,0|1,0,1]=4 175 B9R0.55 O=C(O)C=CCCC(=O)O CNP0419680.0 [0,1,1,0,0,0|1,0,1]=4 176 B9R0.55 O=C(O)CC=CCC(=O)O CNP0098647.0 [0,1,1,0,0,0|1,0,1]=4 177 B9R1.7 CCCC1=CN=C(O1)C CNP0059425.0 [1,1,0,0,0,0|1,0,1]=4 178 B9R1.7 CCCC1=NC(=CO1)C CNP0002751.0 [1,1,0,0,0,0|1,0,1]=4 179 B9R1.7 CCCC1=NC=C(O1)C CNP0183724.0 [1,1,0,0,0,0|1,0,1]=4 180 B9R1.7 CN1C=NC(=C1)CC=O CNP0083533.0 [1,1,0,0,0,0|2,0,0]=4 181 B9R1.11 CCC(=O)C1=CC=CO1 CNP0230679.0 [1,1,0,0,0,0|0,0,2]=4 182 B9R1.11 COC(=O)C1=CC=CO1 CNP0272116.0 [1,1,0,0,0,0|1,0,1]=4 183 B9R1.11 CSC(=O)C1=CC=CO1 CNP0002776.0 [1,1,0,0,0,0|1,0,1]=4 184 B9R1.11 OC[C@@H](O)C1=CC=CO1 CNP0178385.1 [1,1,0,0,0,0|0,0,2]=4 185 B9R1.12 CCCCC1=CC=CO1 CNP0200391.0 [1,1,0,0,0,0|0,0,1]=3 186 B9R1.12 CCCCC1=CN=CO1 CNP0072036.0 [1,1,0,0,0,0|1,0,1]=4 187 B9R1.12 CCOCC1=CC=CO1 CNP0002487.0 [1,1,0,0,0,0|0,0,1]=3 188 B9R1.12 CCSCC1=CC=CO1 CNP0025241.0 [1,1,0,0,0,0|0,0,1]=3 189 B9R1.12 CSSCC1=CC=CO1 CNP0002883.0 [1,1,0,0,0,0|1,0,0]=3 190 B9R1.12 O=CC#CC1=CC=CS1 CNP0321197.0 [1,1,0,0,0,0|0,1,1]=4 191 B9R1.12 O=CC=CC1=CC=CO1 CNP0003159.0 [1,1,0,0,0,0|0,0,1]=3 192 B9R1.12 O=CNCC1=CC=CO1 CNP0029329.0 [1,1,0,0,0,0|0,0,0]=2 193 B9R1.12 O=COCC1=CC=CO1 CNP0574943.0 [1,1,0,0,0,0|0,0,0]=2 194 B9R1.12 O=CSCC1=CC=CO1 CNP0002781.0 [1,1,0,0,0,0|0,0,0]=2 195 B9R1.35 CC(=O)C1=CC(=CO1)C CNP0138284.0 [0,1,0,0,1,0|0,0,0]=2 196 B9R1.35 CC(=O)C1=CC=C(O1)C CNP0316616.0 [0,1,0,0,1,0|0,0,0]=2 197 B9R1.35 CC(=O)C1=CC=C(S1)C CNP0184768.0 [0,1,0,0,1,0|0,1,0]=3 198 B9R1.35 CC(=O)C1=CN(C=C1)C CNP0609118.0 [0,1,0,0,1,0|2,0,0]=4 199 B9R1.35 CC(=O)C1=CN=C(O1)C CNP0541227.0 [0,1,0,0,1,0|1,0,0]=3 200 B9R1.35 CC(=O)C1=NC(=CS1)C CNP0322943.0 [0,1,0,0,1,0|1,1,0]=4 201 B9R1.35 CC1=CC=C(O1)C(=O)O CNP0084070.0 [0,1,0,0,1,0|1,0,0]=3 202 B9R1.35 CC1=CC=C(O1)C(C)C CNP0259912.0 [0,1,0,0,1,0|1,0,1]=4 203 B9R1.35 CC1=CNC(=C1)C(=O)O CNP0109431.0 [0,1,0,0,1,0|2,0,0]=4 204 B9R1.35 CC1=COC(=C1)C(=O)O CNP0234380.0 [0,1,0,0,1,0|1,0,0]=3 205 B9R1.35 NC(=O)C1=CC(=CN1)Br CNP0149276.0 [0,1,0,0,1,0|2,0,0]=4 206 B9R1.35 NC(=O)C1=CC=C(N1)Br CNP0307809.0 [0,1,0,0,1,0|2,0,0]=4 207 B9R1.35 NC(=O)C1=CC=C(S1)Br CNP0540435.0 [0,1,0,0,1,0|1,1,0]=4 208 B9R1.35 O=C(O)C1=CC(=CN1)Br CNP0268142.0 [0,1,0,0,1,0|2,0,0]=4 209 B9R1.35 O=C(O)C1=CC(=CN1)O CNP0363770.0 [0,1,0,0,1,0|2,0,0]=4 210 B9R1.35 O=C(O)C1=CC=C(N1)Br CNP0435630.0 [0,1,0,0,1,0|2,0,0]=4 211 B9R1.35 O=C(O)C1=CC=C(O1)O CNP0082303.0 [0,1,0,0,1,0|1,0,0]=3 212 B9R1.35 O=[N+]([O-])C1=CC=C(O1)Br CNP0568973.0 [0,1,0,0,1,0|2,0,0]=4 213 B9R1.41 C=C1C=CC=C1C(=O)O CNP0542431.0 [0,1,0,0,1,0|2,0,0]=4 214 B9R1.41 CC(=O)C1=C(C=CO1)C CNP0146307.0 [0,1,0,0,1,0|0,0,0]=2 215 B9R1.41 CC(=O)C1=C(C=CO1)O CNP0270989.0 [0,1,0,0,1,0|0,0,0]=2 216 B9R1.41 CC(=O)C1=C(C=CS1)C CNP0290372.0 [0,1,0,0,1,0|0,1,0]=3 217 B9R1.41 CC(=O)C1=CC=CN1C CNP0231933.0 [0,1,0,0,1,0|1,0,0]=3 218 B9R1.41 CC(=O)C1=CNC=C1C CNP0286999.0 [0,1,0,0,1,0|2,0,0]=4 219 B9R1.41 CC1=C(NC=C1)C(=O)O CNP0198389.0 [0,1,0,0,1,0|2,0,0]=4 220 B9R1.41 CC1=C(OC=C1)C(=O)O CNP0566239.0 [0,1,0,0,1,0|1,0,0]=3 221 B9R1.41 CC1=C(OC=N1)C(=O)N CNP0037619.0 [0,1,0,0,1,0|2,0,0]=4 222 B9R1.41 CC1=C(SC=C1)C(=O)O CNP0195449.0 [0,1,0,0,1,0|1,1,0]=4 223 B11R1.20 C=C(C)CC1=CC=C(C=C1)O CNP0086005.0 [0,1,0,0,0,1|2,0,0]=4 224 B11R1.20 CC(=O)CC1=CC=C(C=C1)N CNP0296510.0 [0,1,0,0,0,1|1,0,0]=3 225 B11R1.20 CC(=O)CC1=CC=C(C=C1)O CNP0263134.0 [0,1,0,0,0,1|1,0,0]=3 226 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CNP0609120.0 [0,1,0,0,0,1|2,0,0]=4 227 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br CNP0177917.0 [0,1,0,0,0,1|2,0,0]=4 228 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl CNP0147054.0 [0,1,0,0,0,1|2,0,0]=4 229 B11R1.20 CC(=O)NC1=CC=C(C=N1)Cl CNP0056612.0 [0,1,0,0,0,1|2,0,0]=4 230 B11R1.20 CC(=O)OC1=CC=C(C=C1)Br CNP0033109.0 [0,1,0,0,0,1|2,0,0]=4 231 B11R1.20 CC(=O)OC1=CC=C(C=C1)C CNP0227103.0 [0,1,0,0,0,1|2,0,0]=4 232 B11R1.20 CC(=O)OC1=CC=C(C=C1)O CNP0172781.0 [0,1,0,0,0,1|2,0,0]=4 233 B11R1.20 NC(=O)CC1=CC=C(C=C1)O CNP0490937.0 [0,1,0,0,0,1|2,0,0]=4 234 B11R1.20 NC1=CC=C(C=C1)CC(=O)O CNP0379454.0 [0,1,0,0,0,1|2,0,0]=4 235 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br CNP0211748.0 [0,1,0,0,0,1|2,0,0]=4 236 B11R1.20 O=C(O)CC1=CC=C(C=C1)O CNP0212603.0 [0,1,0,0,0,1|2,0,0]=4 237 B11R1.20 O=C([O-])CC1=CC=C(C=C1)O CNP0582582.0 [0,1,0,0,0,1|2,0,0]=4 238 B11R1.36 C=C(C)[C@@H](O)C1=CC=CC=C1 CNP0098533.1 [0,1,0,0,0,1|2,0,0]=4 239 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 CNP0302092.0 [0,1,0,0,0,1|1,0,1]=4 240 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 CNP0224074.1 [0,1,0,0,0,1|2,0,0]=4 241 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 CNP0224074.2 [0,1,0,0,0,1|2,0,0]=4 242 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 CNP0218836.2 [0,1,0,0,0,1|2,0,0]=4 243 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CNP0218836.1 [0,1,0,0,0,1|2,0,0]=4 244 B11R1.36 NC(=O)[C@H](O)C1=CC=CC=C1 CNP0213891.1 [0,1,0,0,0,1|2,0,0]=4 245 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 CNP0137107.2 [0,1,0,0,0,1|2,0,0]=4 246 B11R1.36 N[C@@H](C(=O)O)C1=CC=CN=C1 CNP0515087.2 [0,1,0,0,0,1|2,0,0]=4 247 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 CNP0137107.1 [0,1,0,0,0,1|2,0,0]=4 248 B11R1.36 N[C@H](C(=O)O)C1=CC=CN=C1 CNP0515087.1 [0,1,0,0,0,1|2,0,0]=4 249 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 CNP0248394.1 [0,1,0,0,0,1|2,0,0]=4 250 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 CNP0248394.2 [0,1,0,0,0,1|2,0,0]=4 251 B11R1.40 CC(=CC1=CC=CC=C1)C=O CNP0107200.0 [0,1,0,0,0,1|1,0,1]=4 252 B11R1.40 CCC(=O)CC1=CC=CC=C1 CNP0003461.0 [0,1,0,0,0,1|1,0,0]=3 253 B11R1.40 CCC(=O)NC1=CC=CC=C1 CNP0215971.0 [0,1,0,0,0,1|2,0,0]=4 254 B11R1.40 CCC(=O)OC1=CC=CC=C1 CNP0392371.0 [0,1,0,0,0,1|2,0,0]=4 255 B11R1.40 CNC(=O)CC1=CC=CC=C1 CNP0400808.0 [0,1,0,0,0,1|1,0,0]=3 256 B11R1.40 COC(=O)CC1=CC=CC=C1 CNP0328249.0 [0,1,0,0,0,1|1,0,0]=3 257 B11R1.40 C[C@@H](C=O)CC1=CC=CC=C1 CNP0101541.1 [0,1,0,0,0,1|1,0,1]=4 258 B11R1.40 N#CC(=O)CC1=CC=CC=C1 CNP0017972.0 [0,1,0,0,0,1|1,0,1]=4 259 B11R1.40 O=C(CC1=CC=CC=C1)NO CNP0275698.0 [0,1,0,0,0,1|2,0,0]=4 260 B11R1.40 O=C(CO)NC1=CC=CC=C1 CNP0492856.0 [0,1,0,0,0,1|2,0,0]=4 261 B11R1.86 CC(=O)C[N+]1=CC=CC=C1Br CNP0514161.0 [0,1,0,0,0,1|2,0,0]=4 262 B11R1.86 CC(=O)C[N+]1=CC=CC=C1N CNP0557788.0 [0,1,0,0,0,1|2,0,0]=4 263 B11R1.86 CC(=O)NC1=CC=CC=C1Br CNP0084593.0 [0,1,0,0,0,1|2,0,0]=4 264 B11R1.86 CC(=O)NC1=CC=CC=C1C CNP0605871.0 [0,1,0,0,0,1|2,0,0]=4 265 B11R1.86 CC(=O)NC1=CC=CC=C1Cl CNP0106127.0 [0,1,0,0,0,1|2,0,0]=4 266 B11R1.86 CC(=O)NC1=CC=CC=C1O CNP0144383.0 [0,1,0,0,0,1|2,0,0]=4 267 B11R1.86 CC(=O)OC1=CC=CC=C1Br CNP0018236.0 [0,1,0,0,0,1|2,0,0]=4 268 B11R1.86 CC(=O)OC1=CC=CC=C1C CNP0420473.0 [0,1,0,0,0,1|2,0,0]=4 269 B11R1.86 CC(=O)OC1=COC=CC1=O CNP0156706.0 [0,1,0,0,0,1|1,0,0]=3 270 B11R1.86 NC1=CC=CC=C1CC(=O)O CNP0248219.0 [0,1,0,0,0,1|2,0,0]=4 271 B11R1.86 O=C(O)CC1=CC=CC=C1O CNP0298923.0 [0,1,0,0,0,1|2,0,0]=4 272 B11R1.86 O=C(O)CC1=COC=CC1=O CNP0138896.0 [0,1,0,0,0,1|1,0,0]=3 273 B11R1.157 CC(=O)NC1=CC=CC(=C1)C CNP0569514.0 [0,1,0,0,0,1|2,0,0]=4 274 B11R1.157 CC(=O)NC1=CC=CC(=C1)Cl CNP0192017.0 [0,1,0,0,0,1|2,0,0]=4 275 B11R1.157 CC(=O)NC1=CC=CC(=C1)N CNP0368887.0 [0,1,0,0,0,1|2,0,0]=4 276 B11R1.157 CC(=O)NC1=CC=CC(=C1)O CNP0605398.0 [0,1,0,0,0,1|2,0,0]=4 277 B11R1.157 CC(=O)NC1=CC=CC(=N1)C CNP0225853.0 [0,1,0,0,0,1|2,0,0]=4 278 B11R1.157 CC(=O)OC1=CC=CC(=C1)C CNP0423566.0 [0,1,0,0,0,1|2,0,0]=4 279 B11R1.157 CC(=O)OC1=CC=CC(=C1)O CNP0341697.0 [0,1,0,0,0,1|2,0,0]=4 280 B11R1.157 CC1=CC=CC(=C1)CC(=O)O CNP0296551.0 [0,1,0,0,0,1|2,0,0]=4 281 B11R1.157 O=C(O)CC1=CC=CC(=C1)O CNP0342864.0 [0,1,0,0,0,1|2,0,0]=4 282 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 CNP0309905.0 [0,1,0,0,0,1|2,0,0]=4 283 B11R1.25 CCC(=O)CCC1=CC=CO1 CNP0542215.0 [0,1,0,0,0,1|0,0,0]=2 284 B11R1.25 CCC(=O)OCC1=CC=CO1 CNP0002784.0 [0,1,0,0,0,1|0,0,0]=2 285 B11R1.25 CCC(=O)SCC1=CC=CO1 CNP0002780.0 [0,1,0,0,0,1|0,0,0]=2 286 B11R1.25 COC(=O)C=CC1=CC=CO1 CNP0003236.0 [0,1,0,0,0,1|0,0,1]=3 287 B11R1.25 COC(=O)CCC1=CN=CN1 CNP0181741.0 [0,1,0,0,0,1|2,0,0]=4 288 B11R1.25 COC(=O)CCC1=CNC=N1 CNP0531960.0 [0,1,0,0,0,1|2,0,0]=4 289 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O CNP0037775.1 [0,1,0,0,0,1|1,1,0]=4 290 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O CNP0037775.2 [0,1,0,0,0,1|1,1,0]=4 291 B11R1.75 CC(=CCC1=CC(=CO1)C)C CNP0186126.0 [0,1,0,0,0,1|1,0,0]=3 292 B11R1.75 CC(=O)OC[C@@H]1C=CC(=O)O1 CNP0406900.1 [0,1,0,0,0,1|0,0,1]=3 293 B11R1.75 O=C(O)CCN1C=CC(=O)O1 CNP0135411.0 [0,1,0,0,0,1|2,0,0]=4 294 B11R1.77 CC(=O)CC(=O)C1=CC=CO1 CNP0334244.0 [0,1,0,0,0,1|0,0,0]=2 295 B11R1.90 C=C(C)C=CC1=C(C=CO1)C CNP0277350.0 [0,1,0,0,0,1|1,0,1]=4 296 B11R1.90 C=C(C)CCC1=C(C=CO1)C CNP0194352.0 [0,1,0,0,0,1|1,0,0]=3 297 B11R1.90 CC(=CCC1=C(C=CO1)C)C CNP0224893.0 [0,1,0,0,0,1|1,0,0]=3 298 B11R1.90 CC(=CCC1=C(C=CS1)C)C CNP0298862.0 [0,1,0,0,0,1|1,1,0]=4 299 B11R1.31 CCC(=O)C(=O)C1=CC=CN1 CNP0132557.0 [0,2,0,0,0,0|1,0,1]=4 300 B11R1.31 CCC(=O)C(=O)C1=CC=CO1 CNP0113129.0 [0,2,0,0,0,0|0,0,1]=3 301 B11R1.89 CC1=C(SC=C1)[C@@H](N)C(=O)O CNP0587156.2 [0,2,0,0,0,0|1,1,0]=4 302 B11R1.89 CC1=C(SC=C1)[C@H](N)C(=O)O CNP0587156.1 [0,2,0,0,0,0|1,1,0]=4 303 B11R1.298 CC(=C(C=O)C1=CC=CO1)C CNP0137976.0 [0,2,0,0,0,0|1,0,1]=4 304 B11R1.314 CC(=O)C(=O)C1=CC=C(O1)C CNP0165601.0 [0,2,0,0,0,0|0,0,1]=3 305 B11R1.314 N[C@@H](C(=O)O)C1=CC(=O)NO1 CNP0515174.2 [0,2,0,0,0,0|2,0,0]=4 306 B11R1.314 N[C@@H](C(=O)O)C1=CN=C(O1)O CNP0608730.1 [0,2,0,0,0,0|2,0,0]=4 307 B11R1.314 N[C@@H](C(=O)O)C1=CNC(=O)O1 CNP0311282.1 [0,2,0,0,0,0|2,0,0]=4 308 B11R1.314 N[C@H](C(=O)O)C1=CC(=NO1)O CNP0258134.1 [0,2,0,0,0,0|2,0,0]=4 309 B11R1.314 N[C@H](C(=O)O)C1=CC(=O)NO1 CNP0515174.1 [0,2,0,0,0,0|2,0,0]=4 310 B11R1.314 O=C1C=CC(O1)C(Cl)C(=O)O CNP0453066.0 [0,2,0,0,0,0|1,0,1]=4 311 B11R1.30 CCOC(=O)CC1=CNC=N1 CNP0326437.0 [0,2,0,0,0,0|2,0,0]=4 312 B11R1.39 C=CC(=CC1=CC(=CO1)C)C CNP0161255.0 [0,2,0,0,0,0|1,0,1]=4 313 B11R1.39 COC(=O)C[C@@H]1C=CC(=O)O1 CNP0175302.2 [0,2,0,0,0,0|0,0,1]=3 314 B11R1.39 COC(=O)C[C@H]1C=CC(=O)O1 CNP0175302.1 [0,2,0,0,0,0|0,0,1]=3 315 B11R1.84 CCC(=CC1=CC=CO1)C=O CNP0002698.0 [0,2,0,0,0,0|0,0,1]=3 316 B11R1.43 CCC1=CC=C(O1)OC(=O)C CNP0609792.0 [0,2,0,0,0,0|1,0,0]=3 317 B11R1.76 CC1=CC=C(O1)C[N+](C)(C)C CNP0491037.0 [0,2,0,0,0,0|2,0,0]=4 318 B11R1.76 CC1=CC=C(O1)C[N+](C)(C)C CNP0597334.0 [0,2,0,0,0,0|2,0,0]=4 319 B11R1.80 CC(=O)CC1C=C(C(=O)O1)C CNP0435217.0 [0,2,0,0,0,0|0,0,1]=3 320 B11R1.80 O=C(O)C=C1C=C(C(=O)O1)Cl CNP0437115.0 [0,2,0,0,0,0|1,0,1]=4 321 B11R1.645 CC(=O)CC1OC(=O)C=C1C CNP0434876.0 [0,2,0,0,0,0|0,0,1]=3 322 B11R1.1039 C[C@@]1(C=CC(=O)O1)CC(=O)O CNP0239614.2 [0,2,0,0,0,0|1,0,1]=4 323 B11R1.1039 C[C@]1(C=CC(=O)O1)CC(=O)O CNP0239614.1 [0,2,0,0,0,0|1,0,1]=4 324 B11R1.1039 O=C(O)C[C@]1(C=CC(=O)O1)Cl CNP0082328.1 [0,2,0,0,0,0|1,0,1]=4 325 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [0,0,1,1,0,0|1,0,1]=4 326 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [0,0,1,1,0,0|1,0,1]=4 327 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [0,0,1,1,0,0|1,0,1]=4 328 B9R2.2 C1=CSC(=C1)C2CC2 CNP0419636.0 [1,0,0,1,0,0|0,1,1]=4 329 B11R2.10 CC1=NC2=CC=NOC2=N1 CNP0243449.0 [0,0,0,1,0,1|2,0,0]=4 330 B11R2.10 CC1=NC2=CN=COC2=N1 CNP0147877.0 [0,0,0,1,0,1|2,0,0]=4 331 B11R2.10 CC1=NC2=NC=COC2=N1 CNP0145883.0 [0,0,0,1,0,1|2,0,0]=4 332 B11R2.10 CC1=NC2=NOC=CC2=N1 CNP0372558.0 [0,0,0,1,0,1|2,0,0]=4 333 B11R2.10 O=C1C=C2C=COC=C2O1 CNP0541223.0 [0,0,0,1,0,1|1,0,1]=4 334 B11R2.10 O=C1CC2=CC=CC=C2N1 CNP0161017.0 [0,0,0,1,0,1|2,0,0]=4 335 B11R2.10 O=C1CC2=CC=CC=C2O1 CNP0562926.0 [0,0,0,1,0,1|2,0,0]=4 336 B11R2.36 CC1=NN=C2OC=CC2=N1 CNP0153624.0 [0,0,0,1,0,1|2,0,0]=4 337 B7R0.5 C=CC=C(O)C(=O)O CNP0566102.0 [0,0,1,0,1,0|1,0,0]=3 338 B7R0.5 CC(=O)C(=CC=O)C CNP0268204.0 [0,0,1,0,1,0|2,0,0]=4 339 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [1,0,0,0,0,1|1,0,1]=4 340 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [1,0,0,0,0,1|1,0,1]=4 341 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [1,0,0,0,0,1|1,0,1]=4 342 B9R1.8 CC=CC1=CN=CC=N1 CNP0232849.0 [1,0,0,0,0,1|1,0,1]=4 343 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [1,0,0,0,0,1|1,0,1]=4 344 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [1,0,0,0,0,1|1,0,1]=4 345 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [1,0,0,0,0,1|1,0,1]=4 346 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [1,0,0,0,0,1|1,0,1]=4 347 B9R1.8 CCCC1=CN=CC=N1 CNP0247099.0 [1,0,0,0,0,1|1,0,1]=4 348 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [1,0,0,0,0,1|2,0,0]=4 349 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [1,0,0,0,0,1|2,0,0]=4 350 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [1,0,0,0,0,1|2,0,0]=4 351 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [1,0,0,0,0,1|1,0,0]=3 352 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [1,0,0,0,0,1|2,0,0]=4 353 B9R1.8 O=CNC1=NC=CC=N1 CNP0027071.0 [1,0,0,0,0,1|2,0,0]=4 354 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [1,0,0,0,0,1|2,0,0]=4 355 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [0,0,0,0,0,2|2,0,0]=4 356 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [0,0,0,0,0,2|1,0,1]=4 357 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [0,0,0,0,0,2|1,0,0]=3 358 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [0,0,0,0,0,2|1,0,0]=3 359 B11R1.91 CC(=O)ONC1=CC=CC=C1 CNP0256903.0 [0,0,0,0,0,2|2,0,0]=4 360 B11R1.91 NC(=O)CCC1=CC=CC=C1 CNP0190126.0 [0,0,0,0,0,2|2,0,0]=4 361 B11R1.91 NC(=O)COC1=CC=CC=C1 CNP0071085.0 [0,0,0,0,0,2|2,0,0]=4 362 B11R1.91 NC(=O)NCC1=CC=CC=C1 CNP0071045.0 [0,0,0,0,0,2|2,0,0]=4 363 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 CNP0330120.0 [0,0,0,0,0,2|2,0,0]=4 364 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [0,0,0,0,0,2|2,0,0]=4 365 B11R1.91 O=C(O)CNC1=CC=CC=C1 CNP0458877.0 [0,0,0,0,0,2|2,0,0]=4 366 B11R1.91 O=C(O)COC1=CC=CC=C1 CNP0231951.0 [0,0,0,0,0,2|2,0,0]=4 367 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [0,0,0,0,0,2|2,0,0]=4 368 B11R1.172 CC(=O)CCCC1=CC=CO1 CNP0518396.0 [0,0,0,0,0,2|0,0,0]=2 369 B11R1.172 CC(=O)NCCC1=CN=CN1 CNP0128477.0 [0,0,0,0,0,2|2,0,0]=4 370 B11R1.172 CC(=O)NCCC1=CNC=N1 CNP0497661.0 [0,0,0,0,0,2|2,0,0]=4 371 B11R1.172 CC(C)CN=CC1=CC=CO1 CNP0435049.0 [0,0,0,0,0,2|1,0,1]=4 372 B11R1.172 O=C(O)CCCC1=CC=CS1 CNP0560045.0 [0,0,0,0,0,2|1,1,0]=4