0 B11R1.40 CC(=CC1=CC=CC=C1)C=O CNP0107200.0 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.40 CC(CC1=CC=CC=C1)NN CNP0490406.0 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.40 CCC(=CC1=CC=CN=C1)C CNP0085320.0 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.40 CCC(=O)CC1=CC=CC=C1 CNP0003461.0 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.40 CCC(=O)NC1=CC=CC=C1 CNP0215971.0 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.40 CCC(=O)OC1=CC=CC=C1 CNP0392371.0 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 CNP0515672.1 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.40 CNC(=O)CC1=CC=CC=C1 CNP0400808.0 [0,0,0,0,0,0|1,0,0]=1 8 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 CNP0351439.1 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 CNP0351439.2 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.40 COC(=O)C=C1C=CCCC1 CNP0281793.0 [0,0,0,0,0,0|0,0,4]=4 11 B11R1.40 COC(=O)CC1=CC=CC=C1 CNP0328249.0 [0,0,0,0,0,0|0,0,0]=0 12 B11R1.40 COC(=O)CC1C=CCCC1 CNP0380005.0 [0,0,0,0,0,0|0,0,4]=4 13 B11R1.40 COC(=S)NC1=CC=CC=C1 CNP0050030.0 [0,0,0,0,0,0|1,1,0]=2 14 B11R1.40 C[C@@H](C=O)CC1=CC=CC=C1 CNP0101541.1 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.40 N#CC(=O)CC1=CC=CC=C1 CNP0017972.0 [0,0,0,0,0,0|2,0,0]=2 16 B11R1.40 N#C[C@H](O)CC1=CC=CC=C1 CNP0304006.1 [0,0,0,0,0,0|2,0,2]=4 17 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0540734.1 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0545581.1 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0559492.0 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0578552.0 [0,0,0,0,0,0|3,0,1]=4 21 B11R1.40 NNC(=O)NC1=CC=CC=C1 CNP0536638.0 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.40 NOC(=O)NC1=CC=CC=C1 CNP0579392.0 [0,0,0,0,0,0|2,0,0]=2 23 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 CNP0254447.2 [0,0,0,0,0,0|3,0,1]=4 24 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 CNP0254447.1 [0,0,0,0,0,0|3,0,1]=4 25 B11R1.40 O=C(CC1=CC=CC=C1)NO CNP0275698.0 [0,0,0,0,0,0|2,0,0]=2 26 B11R1.40 O=C(CO)NC1=CC=CC=C1 CNP0492856.0 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.40 O=CC(=CC1=CC=CC=C1)Br CNP0581236.0 [0,0,0,0,0,0|3,0,1]=4 28 B11R1.40 OC[C@@H](O)CC1=CC=CC=C1 CNP0380924.2 [0,0,0,0,0,0|2,0,2]=4 29 B11R1.40 OC[C@H](O)CC1=CC=CC=C1 CNP0380924.1 [0,0,0,0,0,0|2,0,2]=4 30 B11R1.40 ON=C(S)CC1=CC=CC=C1 CNP0359280.0 [0,0,0,0,0,0|2,1,0]=3 31 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [1,0,0,0,0,0|1,0,2]=4 32 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [1,0,0,0,0,0|1,0,0]=2 33 B10R1.17 CC=CCC1=CC=CCC1 CNP0130586.0 [1,0,0,0,0,0|1,0,2]=4 34 B10R1.17 CCC=CC1=CC=CC=C1 CNP0551806.0 [1,0,0,0,0,0|1,0,1]=3 35 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [1,0,0,0,0,0|1,0,1]=3 36 B10R1.17 CCCCC1=CC=CC=N1 CNP0514924.0 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.17 CCCCC1=CC=CN=C1 CNP0003155.0 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.17 CCCCC1=CC=NC=C1 CNP0498690.0 [1,0,0,0,0,0|2,0,1]=4 39 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.17 CNCCC1=CC=CC=C1 CNP0329564.0 [1,0,0,0,0,0|1,0,1]=3 42 B10R1.17 CNCCC1=CC=CC=N1 CNP0209820.0 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [1,0,0,0,0,0|0,0,1]=2 44 B10R1.17 COCOC1=CC=CC=C1 CNP0025153.0 [1,0,0,0,0,0|1,0,1]=3 45 B10R1.17 COCSC1=CC=CC=C1 CNP0048217.0 [1,0,0,0,0,0|1,0,1]=3 46 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [1,0,0,0,0,0|0,1,1]=3 47 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [1,0,0,0,0,0|1,1,0]=3 48 B10R1.17 N#CC=CC1=CC=CC=C1 CNP0156189.0 [1,0,0,0,0,0|2,0,1]=4 49 B10R1.17 N#CCCC1=CC=CC=C1 CNP0341083.0 [1,0,0,0,0,0|2,0,1]=4 50 B10R1.17 N#CSCC1=CC=CC=C1 CNP0192930.0 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.17 NCC=CC1=CC=CC=C1 CNP0077152.0 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.17 NCCCC1=CC=CC=C1 CNP0538773.0 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.17 NNCCC1=CC=CC=C1 CNP0340893.0 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.17 O=C=NCC1=CC=CC=C1 CNP0498912.0 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.17 O=CC=CC1=CC=CC=C1 CNP0279382.0 [1,0,0,0,0,0|2,0,1]=4 56 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.17 O=CNCC1=CC=CC=C1 CNP0021384.0 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.17 OCC=CC1=CC=CC=C1 CNP0214953.0 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [1,0,0,0,0,0|2,0,1]=4 61 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.17 ON=CCC1=CC=CC=C1 CNP0114756.0 [1,0,0,0,0,0|2,0,0]=3 63 B10R1.17 S=C=NCC1=CC=CC=C1 CNP0122123.0 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.17 S=CC=NC1=CC=CC=C1 CNP0296748.0 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.17 S=CNCC1=CC=CC=C1 CNP0159195.0 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.18 BrC(=CC1=CC=CC=C1)Br CNP0047298.0 [1,0,0,0,0,0|2,0,1]=4 67 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [1,0,0,0,0,0|1,0,0]=2 68 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [1,0,0,0,0,0|1,0,1]=3 69 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [1,0,0,0,0,0|0,0,0]=1 71 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [1,0,0,0,0,0|1,0,0]=2 72 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [1,0,0,0,0,0|1,0,0]=2 73 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [1,0,0,0,0,0|2,0,0]=3 74 B10R1.18 CC(=O)OC1=CCC=CO1 CNP0436618.0 [1,0,0,0,0,0|2,0,1]=4 75 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [1,0,0,0,0,0|1,1,0]=3 76 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [1,0,0,0,0,0|1,0,1]=3 77 B10R1.18 CC(C)CC1=CC=CC=N1 CNP0356963.0 [1,0,0,0,0,0|2,0,1]=4 78 B10R1.18 CC(C)CC1=CC=CN=C1 CNP0002829.0 [1,0,0,0,0,0|2,0,1]=4 79 B10R1.18 CC(C)NC1=CC=CC=C1 CNP0321657.0 [1,0,0,0,0,0|2,0,1]=4 80 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [1,0,0,0,0,0|2,0,0]=3 81 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [1,0,0,0,0,0|1,0,1]=3 82 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [1,0,0,0,0,0|1,0,1]=3 83 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [1,0,0,0,0,0|1,0,1]=3 84 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [1,0,0,0,0,0|1,0,1]=3 85 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.18 N=C(S)NC1=CC=CC=C1 CNP0521272.0 [1,0,0,0,0,0|2,1,0]=4 87 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [1,0,0,0,0,0|1,0,0]=2 88 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 CNP0486406.0 [1,0,0,0,0,0|2,0,0]=3 89 B10R1.18 NC(=O)NC1=CC=CC=C1 CNP0279748.0 [1,0,0,0,0,0|2,0,0]=3 90 B10R1.18 NC(=S)CC1=CC=CC=N1 CNP0060644.0 [1,0,0,0,0,0|2,1,0]=4 91 B10R1.18 NC(=S)NC1=CC=CC=C1 CNP0415622.0 [1,0,0,0,0,0|2,1,0]=4 92 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [1,0,0,0,0,0|1,0,0]=2 93 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [1,0,0,0,0,0|1,0,0]=2 94 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [1,0,0,0,0,0|0,0,0]=1 95 B10R1.18 O=C(O)CC1=CC=CN=C1 CNP0105682.0 [1,0,0,0,0,0|1,0,0]=2 96 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [1,0,0,0,0,0|1,0,0]=2 97 B12R1.32 C=CCC(=O)NC1=CC=CC=C1 CNP0211229.0 [0,1,0,0,0,0|2,0,1]=4 98 B12R1.32 CCCC(=O)CC1=CC=CC=C1 CNP0538882.0 [0,1,0,0,0,0|1,0,0]=2 99 B12R1.32 CCCC(=O)OC1=CC=CC=C1 CNP0002394.0 [0,1,0,0,0,0|2,0,0]=3 100 B12R1.32 CCCC(O)CC1=CC=CC=C1 CNP0005510.0 [0,1,0,0,0,0|1,0,2]=4 101 B12R1.32 CCNC(=O)CC1=CC=CC=C1 CNP0069475.0 [0,1,0,0,0,0|1,0,0]=2 102 B12R1.32 CCOC(=O)CC1=CC=CC=C1 CNP0112866.0 [0,1,0,0,0,0|0,0,0]=1 103 B12R1.32 CCOC(=O)NC1=CC=CC=C1 CNP0116883.0 [0,1,0,0,0,0|1,0,0]=2 104 B12R1.32 CCOC(=S)NC1=CC=CC=C1 CNP0226110.0 [0,1,0,0,0,0|1,1,0]=3 105 B12R1.32 CCSC(=NC1=CC=CC=C1)N CNP0557297.0 [0,1,0,0,0,0|2,1,0]=4 106 B12R1.32 CNNC(=O)CC1=CC=CC=C1 CNP0042437.0 [0,1,0,0,0,0|1,0,0]=2 107 B12R1.32 CONC(C)CC1=CC=CC=C1 CNP0563867.0 [0,1,0,0,0,0|1,0,1]=3 108 B12R1.34 C=C(C(=O)OC)C1=CC=CC=C1 CNP0601325.0 [0,1,0,0,0,0|0,0,1]=2 109 B12R1.34 CN=C(C)C(O)C1=CC=CC=C1 CNP0472629.0 [0,1,0,0,0,0|2,0,0]=3 110 B12R1.34 CNC(=S)N(O)C1=CC=CC=C1 CNP0157171.0 [0,1,0,0,0,0|2,1,0]=4 111 B12R1.34 CNC(C)[C@@H](O)C1=CC=CC=C1 CNP0171581.6 [0,1,0,0,0,0|2,0,1]=4 112 B12R1.34 CNC(C)[C@H](O)C1=CC=CC=C1 CNP0171581.7 [0,1,0,0,0,0|2,0,1]=4 113 B12R1.34 CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 CNP0171581.5 [0,1,0,0,0,0|2,0,1]=4 114 B12R1.34 CN[C@@H](C)[C@H](O)C1=CC=CC=C1 CNP0171581.4 [0,1,0,0,0,0|2,0,1]=4 115 B12R1.34 CN[C@H](C)[C@@H](O)C1=CC=CC=C1 CNP0171581.2 [0,1,0,0,0,0|2,0,1]=4 116 B12R1.34 CN[C@H](C)[C@H](O)C1=CC=CC=C1 CNP0171581.1 [0,1,0,0,0,0|2,0,1]=4 117 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 CNP0304624.0 [0,1,0,0,0,0|0,0,1]=2 118 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 CNP0318507.2 [0,1,0,0,0,0|0,0,0]=1 119 B12R1.34 COC(=O)[C@@H](N)C1=CC=CN=C1 CNP0587073.1 [0,1,0,0,0,0|1,0,0]=2 120 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 CNP0421747.1 [0,1,0,0,0,0|0,0,0]=1 121 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 CNP0318507.1 [0,1,0,0,0,0|0,0,0]=1 122 B12R1.34 COC(=O)[C@H](N)C1=CC=CN=C1 CNP0587073.2 [0,1,0,0,0,0|1,0,0]=2 123 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 CNP0421747.2 [0,1,0,0,0,0|0,0,0]=1 124 B12R1.34 COC(O)C(=O)C1=CC=CC=C1 CNP0536152.0 [0,1,0,0,0,0|0,0,3]=4 125 B12R1.43 C=C(Cl)C(=O)OC1=CC=CC=C1 CNP0300036.0 [0,1,0,0,0,0|2,0,1]=4 126 B12R1.43 CC(=O)C(=CC1=CC=CC=C1)C CNP0379625.0 [0,1,0,0,0,0|2,0,1]=4 127 B12R1.43 CC(=O)C(=O)CC1=CC=CC=C1 CNP0588983.0 [0,1,0,0,0,0|1,0,0]=2 128 B12R1.43 CC(=O)C(=O)NC1=CC=CC=C1 CNP0033092.0 [0,1,0,0,0,0|2,0,0]=3 129 B12R1.43 CC(=O)[C@H](O)CC1=CC=CC=C1 CNP0353502.1 [0,1,0,0,0,0|1,0,2]=4 130 B12R1.43 CC(C)C(=O)OC1=CC=CC=C1 CNP0524813.0 [0,1,0,0,0,0|2,0,0]=3 131 B12R1.43 CC(Cl)C(=O)NC1=CC=CC=C1 CNP0267765.0 [0,1,0,0,0,0|2,0,0]=3 132 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 CNP0250069.0 [0,1,0,0,0,0|1,0,0]=2 133 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 CNP0348092.0 [0,1,0,0,0,0|2,0,0]=3 134 B12R1.43 CN(O)C(=O)CC1=CC=CC=C1 CNP0104612.0 [0,1,0,0,0,0|1,0,0]=2 135 B12R1.43 C[C@@H](Cl)C(=O)NC1=CC=CC=C1 CNP0267765.1 [0,1,0,0,0,0|2,0,0]=3 136 B12R1.43 C[C@@H](O)[C@H](O)CC1=CC=CC=C1 CNP0193877.1 [0,1,0,0,0,0|1,0,2]=4 137 B12R1.43 C[C@H](O)[C@@H](N)CC1=CC=CC=C1 CNP0596460.1 [0,1,0,0,0,0|2,0,1]=4 138 B12R1.43 C[C@H](O)[C@@H](O)CC1=CC=CC=C1 CNP0193877.2 [0,1,0,0,0,0|1,0,2]=4 139 B12R1.43 NC(=O)C(=O)CC1=CC=CC=C1 CNP0113488.0 [0,1,0,0,0,0|2,0,0]=3 140 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 CNP0177093.0 [0,1,0,0,0,0|2,0,0]=3 141 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl CNP0422933.0 [0,1,0,0,0,0|3,0,0]=4 142 B12R1.49 CCC(=O)CC1=CC=C(C=C1)O CNP0549133.0 [0,1,0,0,0,0|1,0,0]=2 143 B12R1.49 COC(=O)CC1=CC=C(C=C1)O CNP0332506.0 [0,1,0,0,0,0|0,0,0]=1 144 B12R1.49 COC(=O)CN1C=CC(=N)C=C1 CNP0442080.0 [0,1,0,0,0,0|1,0,0]=2 145 B12R1.49 COC(=O)CN1C=CC(=[N])C=C1 CNP0584765.0 [0,1,0,0,0,0|1,0,0]=2 146 B12R1.49 CSC(=NC1=CC=C(C=C1)N)S CNP0056621.0 [0,1,0,0,0,0|1,2,0]=4 147 B12R1.49 CSC(=S)NC1=CC=C(C=C1)Br CNP0058991.0 [0,1,0,0,0,0|1,2,0]=4 148 B12R1.49 CSC(=S)NC1=CC=C(C=C1)C CNP0048196.0 [0,1,0,0,0,0|1,2,0]=4 149 B12R1.49 CSC(=S)NC1=CC=C(C=C1)Cl CNP0031684.0 [0,1,0,0,0,0|1,2,0]=4 150 B12R1.49 O=NC(=O)NC1=CC=C(C=C1)O CNP0501405.0 [0,1,0,0,0,0|3,0,0]=4 151 B12R1.49 ON=C(S)CC1=CC=C(C=C1)O CNP0205375.0 [0,1,0,0,0,0|2,1,0]=4 152 B12R1.118 COC(=CC1=CC=CC=C1)C=O CNP0496622.0 [0,1,0,0,0,0|0,0,1]=2 153 B12R1.118 COC(CC1=CC=CC=C1)OC CNP0268816.0 [0,1,0,0,0,0|0,0,2]=3 154 B12R1.194 CCS(=O)(=O)CC1=CC=CC=C1 CNP0017641.0 [0,1,0,0,0,0|2,0,0]=3 155 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 CNP0208726.0 [0,1,0,0,0,0|2,0,1]=4 156 B12R1.371 COC(=O)CC1=CC=CC=C1O CNP0205970.0 [0,1,0,0,0,0|0,0,0]=1 157 B12R1.371 COC(=O)CC1=COC=CC1=O CNP0157606.0 [0,1,0,0,0,0|1,0,0]=2 158 B12R1.371 CSC(=S)NC1=CC=CC=C1C CNP0055826.0 [0,1,0,0,0,0|1,2,0]=4 159 B12R1.371 O=C(CO)NC1=CC=CC=C1O CNP0547732.0 [0,1,0,0,0,0|3,0,0]=4 160 B10R0.74 C=CCC=CCCC(=O)OC CNP0061280.0 [0,0,1,0,0,0|0,0,2]=3 161 B10R0.74 CC=CC=CC=CC(=O)OC CNP0127753.0 [0,0,1,0,0,0|0,0,2]=3 162 B12R2.18 C=C1C(=O)NC2=CC=CC=C12 CNP0030308.0 [0,0,0,1,0,0|2,0,1]=4 163 B12R2.18 CC1=C(C2=CC=CC=C2C1)C CNP0191084.0 [0,0,0,1,0,0|2,0,0]=3 164 B12R2.18 CC1=C(C2=CC=CC=C2O1)C CNP0053297.0 [0,0,0,1,0,0|3,0,0]=4 165 B12R2.18 CC1=C2C=COC=C2OC1=O CNP0206179.0 [0,0,0,1,0,0|3,0,0]=4 166 B12R2.18 CC1C(=O)OC2=CN=CC=C12 CNP0564077.0 [0,0,0,1,0,0|3,0,0]=4 167 B12R2.18 CN1C(=NC2=CC=CC=C12)N CNP0056889.0 [0,0,0,1,0,0|3,0,0]=4 168 B12R2.18 CN1C(=O)CC2=CC=CC=C12 CNP0182982.0 [0,0,0,1,0,0|1,0,0]=2 169 B12R2.18 CN1C(=O)OC2=CC=CC=C12 CNP0555396.0 [0,0,0,1,0,0|2,0,0]=3 170 B12R2.18 CN1C(=S)SC2=CC=CC=C12 CNP0018105.0 [0,0,0,1,0,0|2,1,0]=4 171 B12R2.18 C[C@@H]1C(=NC2=CC=CC=C12)O CNP0479442.1 [0,0,0,1,0,0|2,0,1]=4 172 B12R2.18 C[C@@H]1C(=O)NC2=CC=CC=C12 CNP0235439.1 [0,0,0,1,0,0|2,0,0]=3 173 B12R2.18 O=C1NC2=CC=CC=C2C1=O CNP0320767.0 [0,0,0,1,0,0|3,0,0]=4 174 B12R2.18 O=C1NC2=CC=CC=C2[C@@H]1O CNP0273186.1 [0,0,0,1,0,0|3,0,0]=4 175 B12R2.24 CN1CCC2=CC=CC=C2C1 CNP0123682.0 [0,0,0,1,0,0|3,0,0]=4 176 B12R2.24 O=C1C=CC2=CC=CC=C2C1 CNP0599990.0 [0,0,0,1,0,0|1,0,1]=3 177 B12R2.24 O=C1C=CC2=CC=CC=C2N1 CNP0583881.0 [0,0,0,1,0,0|2,0,1]=4 178 B12R2.24 O=C1C=CC2=CC=CC=C2O1 CNP0225025.0 [0,0,0,1,0,0|2,0,1]=4 179 B12R2.24 O=C1CC2=CC=CC=C2CO1 CNP0331991.0 [0,0,0,1,0,0|0,0,0]=1 180 B12R2.24 O=C1CCC2=CC=CC=C2C1 CNP0253800.0 [0,0,0,1,0,0|1,0,0]=2 181 B12R2.24 O=C1CCC2=CC=CC=C2N1 CNP0525413.0 [0,0,0,1,0,0|2,0,0]=3 182 B12R2.24 O=C1CCC2=CC=CC=C2O1 CNP0191146.0 [0,0,0,1,0,0|2,0,0]=3 183 B12R2.24 O=C1COC2=CC=CC=C2N1 CNP0343320.0 [0,0,0,1,0,0|3,0,0]=4 184 B12R2.24 O=C1COC2=CC=CC=C2O1 CNP0002476.0 [0,0,0,1,0,0|3,0,0]=4 185 B12R2.24 O=C1N=CC2=CC=CC=C2N1 CNP0169726.0 [0,0,0,1,0,0|2,0,1]=4 186 B12R2.32 CCC1=NC2=CC=CC=C2N1 CNP0080017.0 [0,0,0,1,0,0|3,0,0]=4 187 B12R2.32 CCC1=NC2=CC=CC=C2S1 CNP0002561.0 [0,0,0,1,0,0|2,1,0]=4 188 B12R2.32 CNC1=NC2=CC=CC=C2S1 CNP0054495.0 [0,0,0,1,0,0|2,1,0]=4 189 B12R2.32 COC1=NC2=CC=CC=C2S1 CNP0023995.0 [0,0,0,1,0,0|1,1,0]=3 190 B12R2.32 CSC1=NC2=CC=CC=C2S1 CNP0071009.0 [0,0,0,1,0,0|1,2,0]=4 191 B12R2.32 N#CC1=CC2=CC=CC=C2C1 CNP0127189.0 [0,0,0,1,0,0|3,0,0]=4 192 B12R2.32 ON=C1CC2=CC=CC=C2C1 CNP0396553.0 [0,0,0,1,0,0|3,0,0]=4 193 B10R1.15 C#CC(=O)C1=CC=CC=C1 CNP0026110.0 [0,0,0,0,1,0|1,0,1]=3 194 B10R1.15 C=C(C=O)C1=CC=CC=C1 CNP0395069.0 [0,0,0,0,1,0|3,0,0]=4 195 B10R1.15 C=CC(=C)C1=CC=CC=C1 CNP0518579.0 [0,0,0,0,1,0|2,0,1]=4 196 B10R1.15 C=CC(=O)C1=CC=CC=C1 CNP0085771.0 [0,0,0,0,1,0|1,0,1]=3 197 B10R1.15 CC(=NO)C1=CC=CC=C1 CNP0218225.0 [0,0,0,0,1,0|3,0,0]=4 198 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [0,0,0,0,1,0|2,0,0]=3 199 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [0,0,0,0,1,0|1,0,0]=2 200 B10R1.15 CCC(=O)C1=CC=CN=C1 CNP0114571.0 [0,0,0,0,1,0|2,0,0]=3 201 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [0,0,0,0,1,0|2,0,1]=4 202 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [0,0,0,0,1,0|2,0,1]=4 203 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [0,0,0,0,1,0|1,0,2]=4 204 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [0,0,0,0,1,0|2,0,1]=4 205 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [0,0,0,0,1,0|1,0,0]=2 206 B10R1.15 CNC(=O)C1=CC=CN=C1 CNP0108098.0 [0,0,0,0,1,0|2,0,0]=3 207 B10R1.15 CNC(C)C1=CC=CC=C1 CNP0515964.0 [0,0,0,0,1,0|2,0,1]=4 208 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [0,0,0,0,1,0|0,0,0]=1 209 B10R1.15 COC(=O)C1=CC=CC=N1 CNP0214824.0 [0,0,0,0,1,0|1,0,0]=2 210 B10R1.15 COC(=O)C1=CC=CN=C1 CNP0284518.0 [0,0,0,0,1,0|1,0,0]=2 211 B10R1.15 COC(=O)C1=CN=CC=N1 CNP0080083.0 [0,0,0,0,1,0|2,0,0]=3 212 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [0,0,0,0,1,0|1,0,1]=3 213 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [0,0,0,0,1,0|0,1,0]=2 214 B10R1.15 N#CC(=O)C1=CC=CC=C1 CNP0308967.0 [0,0,0,0,1,0|2,0,0]=3 215 B10R1.15 NC(=NO)C1=CC=CC=C1 CNP0049137.0 [0,0,0,0,1,0|3,0,0]=4 216 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [0,0,0,0,1,0|2,0,0]=3 217 B10R1.15 NNC(=O)C1=CC=CC=C1 CNP0576891.0 [0,0,0,0,1,0|2,0,0]=3 218 B10R1.15 NNC(=O)C1=CC=CC=N1 CNP0280058.0 [0,0,0,0,1,0|3,0,0]=4 219 B10R1.15 NNC(=O)C1=CC=CN=C1 CNP0220603.0 [0,0,0,0,1,0|3,0,0]=4 220 B10R1.15 NNC(=O)C1=CC=NC=C1 CNP0295499.0 [0,0,0,0,1,0|3,0,0]=4 221 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [0,0,0,0,1,0|2,0,0]=3 222 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [0,0,0,0,1,0|2,0,0]=3 223 B10R1.15 O=C(NO)C1=CC=CC=C1 CNP0395264.0 [0,0,0,0,1,0|2,0,0]=3 224 B10R1.15 O=C(NO)C1=CC=CN=C1 CNP0109606.0 [0,0,0,0,1,0|3,0,0]=4 225 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [0,0,0,0,1,0|2,0,0]=3 226 B10R1.15 OC=C(O)C1=CC=CC=C1 CNP0119701.0 [0,0,0,0,1,0|2,0,1]=4 227 B10R1.27 CCC(=O)CC1=CC=CO1 CNP0611998.0 [0,0,0,0,1,0|2,0,0]=3 228 B12R1.27 CCC(=O)CCC1=CC=CC=C1 CNP0536432.0 [0,0,0,0,0,1|1,0,0]=2 229 B12R1.27 CCC(=O)NNC1=CC=CC=C1 CNP0034463.0 [0,0,0,0,0,1|2,0,0]=3 230 B12R1.27 CCC(=O)OCC1=CC=CC=C1 CNP0120803.0 [0,0,0,0,0,1|1,0,0]=2 231 B12R1.27 CC[C@@H](C)CCC1=CC=CC=C1 CNP0095127.1 [0,0,0,0,0,1|2,0,1]=4 232 B12R1.27 CC[C@H](O)CCC1=CC=CC=C1 CNP0327445.1 [0,0,0,0,0,1|1,0,2]=4 233 B12R1.27 CNC(=O)C=CC1=CC=CC=C1 CNP0112097.0 [0,0,0,0,0,1|1,0,1]=3 234 B12R1.27 COC(=O)C=CC1=CC=CC=C1 CNP0290830.0 [0,0,0,0,0,1|0,0,1]=2 235 B12R1.27 COC(=O)C=CC1=CC=CN=C1 CNP0057404.0 [0,0,0,0,0,1|1,0,1]=3 236 B12R1.27 COC(=O)CCC1=CC=CC=C1 CNP0253198.0 [0,0,0,0,0,1|0,0,0]=1 237 B12R1.27 COC(=S)NCC1=CC=CC=C1 CNP0103481.0 [0,0,0,0,0,1|0,1,0]=2 238 B12R1.27 NCC(=O)OCC1=CC=CC=C1 CNP0003113.0 [0,0,0,0,0,1|2,0,0]=3 239 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CNP0146630.0 [0,0,0,0,0,1|2,0,0]=3 240 B12R1.27 O=C(C=CC1=CC=CC=C1)OO CNP0086495.0 [0,0,0,0,0,1|1,0,1]=3 241 B12R1.27 O=C(NCl)OCC1=CC=CC=C1 CNP0069758.0 [0,0,0,0,0,1|2,0,0]=3 242 B9R0.2 CC=CC=CC=CC(=O)O CNP0249309.0 [1,0,1,0,0,0|0,0,2]=4 243 B9R0.2 CC=CC=CCCC(=O)C CNP0426415.0 [1,0,1,0,0,0|0,0,2]=4 244 B9R0.45 C=CC=CC=CCCCC CNP0611960.0 [1,0,1,0,0,0|1,0,1]=4 245 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [2,0,0,0,0,0|0,0,1]=3 246 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [2,0,0,0,0,0|1,0,1]=4 247 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [2,0,0,0,0,0|1,0,1]=4 248 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [2,0,0,0,0,0|0,0,1]=3 249 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [2,0,0,0,0,0|1,0,1]=4 250 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [2,0,0,0,0,0|0,0,1]=3 251 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [2,0,0,0,0,0|1,0,1]=4 252 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [2,0,0,0,0,0|1,0,1]=4 253 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [2,0,0,0,0,0|1,0,1]=4 254 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [2,0,0,0,0,0|1,0,1]=4 255 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [2,0,0,0,0,0|1,0,1]=4 256 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [2,0,0,0,0,0|1,0,0]=3 257 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [2,0,0,0,0,0|0,0,0]=2 258 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [2,0,0,0,0,0|0,1,0]=3 259 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [2,0,0,0,0,0|1,1,0]=4 260 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [2,0,0,0,0,0|1,0,1]=4 261 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [2,0,0,0,0,0|1,0,1]=4 262 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [2,0,0,0,0,0|1,0,1]=4 263 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [2,0,0,0,0,0|2,0,0]=4 264 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [2,0,0,0,0,0|0,0,0]=2 265 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [2,0,0,0,0,0|1,0,0]=3 266 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [2,0,0,0,0,0|1,0,0]=3 267 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [2,0,0,0,0,0|1,0,1]=4 268 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [2,0,0,0,0,0|0,0,1]=3 269 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [2,0,0,0,0,0|1,0,1]=4 270 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [2,0,0,0,0,0|1,0,0]=3 271 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [2,0,0,0,0,0|0,1,1]=4 272 B11R0.4 C=CCC=CCCC(=O)OCC CNP0209435.0 [0,1,1,0,0,0|0,0,2]=4 273 B11R0.4 CC=CC=CC=CC(=O)OCC CNP0412321.0 [0,1,1,0,0,0|0,0,2]=4 274 B11R0.40 C=CCCCC=CCC(=O)OC CNP0572921.0 [0,1,1,0,0,0|0,0,2]=4 275 B11R0.40 CCC=CCC=CCC(=O)OC CNP0525214.0 [0,1,1,0,0,0|0,0,2]=4 276 B11R1.1 CC=CCC1=CC=C(C=C1)O CNP0602903.0 [1,1,0,0,0,0|1,0,0]=3 277 B11R1.1 CCCCC1=CC=C(C=C1)N CNP0586525.0 [1,1,0,0,0,0|1,0,1]=4 278 B11R1.1 CCCCC1=CC=C(C=C1)O CNP0079985.0 [1,1,0,0,0,0|1,0,1]=4 279 B11R1.1 CCOCC1=CC=C(C=C1)O CNP0267999.0 [1,1,0,0,0,0|2,0,0]=4 280 B11R1.1 CNCCC1=CC=C(C=C1)O CNP0279481.0 [1,1,0,0,0,0|1,0,1]=4 281 B11R1.1 ON=CCC1=CC=C(C=C1)O CNP0165556.0 [1,1,0,0,0,0|2,0,0]=4 282 B11R1.16 CCO[C@H](C)C1=CC=CC=C1 CNP0384490.1 [1,1,0,0,0,0|2,0,0]=4 283 B11R1.16 CNC[C@@H](O)C1=CC=CC=C1 CNP0154385.1 [1,1,0,0,0,0|1,0,1]=4 284 B11R1.16 CNC[C@H](O)C1=CC=CC=C1 CNP0154385.2 [1,1,0,0,0,0|1,0,1]=4 285 B11R1.16 COCC(=O)C1=CC=CC=C1 CNP0505302.0 [1,1,0,0,0,0|0,0,2]=4 286 B11R1.17 CCCCC1=CC=CC=C1N CNP0540375.0 [1,1,0,0,0,0|1,0,1]=4 287 B11R1.17 CCCCC1=CC=CC=C1O CNP0266584.0 [1,1,0,0,0,0|1,0,1]=4 288 B11R1.17 CCOCC1=CC=CC=C1O CNP0002484.0 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.24 CCCCC1=CC=CC(=C1)O CNP0518462.0 [1,1,0,0,0,0|1,0,1]=4 290 B11R1.28 C=CC=CCC1=CC=CC=C1 CNP0601379.0 [1,1,0,0,0,0|1,0,1]=4 291 B11R1.28 CC=CCCC1=CC=CC=C1 CNP0591592.0 [1,1,0,0,0,0|1,0,0]=3 292 B11R1.28 CC=CCCC1=CC=CC=N1 CNP0080786.0 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.28 CCC=NNC1=CC=CC=C1 CNP0413398.0 [1,1,0,0,0,0|2,0,0]=4 294 B11R1.28 CCCC=CC1=CC=CC=C1 CNP0133408.0 [1,1,0,0,0,0|1,0,1]=4 295 B11R1.28 CCCCCC1=CC=CC=C1 CNP0180656.0 [1,1,0,0,0,0|1,0,1]=4 296 B11R1.28 CCCCNC1=CC=CC=C1 CNP0128874.0 [1,1,0,0,0,0|1,0,1]=4 297 B11R1.28 CCCCOC1=CC=CC=C1 CNP0581047.0 [1,1,0,0,0,0|1,0,1]=4 298 B11R1.28 CCNCCC1=CC=CC=C1 CNP0355449.0 [1,1,0,0,0,0|1,0,1]=4 299 B11R1.28 CCOCCC1=CC=CC=C1 CNP0162532.0 [1,1,0,0,0,0|0,0,1]=3 300 B11R1.28 CNCC=CC1=CC=CC=C1 CNP0268805.0 [1,1,0,0,0,0|1,0,1]=4 301 B11R1.28 COCCOC1=CC=CC=C1 CNP0511350.0 [1,1,0,0,0,0|0,0,1]=3 302 B11R1.28 NCCCCC1=CC=CC=C1 CNP0573837.0 [1,1,0,0,0,0|1,0,1]=4 303 B11R1.28 O=CC=CCC1=CC=CC=C1 CNP0157371.0 [1,1,0,0,0,0|1,0,1]=4 304 B11R1.28 O=COCCC1=CC=CC=C1 CNP0271229.0 [1,1,0,0,0,0|0,0,2]=4 305 B11R1.28 OCCCCC1=CC=CC=C1 CNP0531159.0 [1,1,0,0,0,0|1,0,1]=4 306 B11R1.28 ON=CCCC1=CC=CC=C1 CNP0251852.0 [1,1,0,0,0,0|2,0,0]=4 307 B11R1.28 S=CC=NCC1=CC=CC=C1 CNP0397095.0 [1,1,0,0,0,0|2,0,0]=4 308 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [1,1,0,0,0,0|1,0,0]=3 309 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [1,1,0,0,0,0|1,0,1]=4 310 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [1,1,0,0,0,0|1,0,1]=4 311 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.91 CC(C)CCC1=CC=CC=C1 CNP0088598.0 [1,1,0,0,0,0|1,0,1]=4 313 B11R1.91 CC(O)C=CC1=CC=CC=C1 CNP0091112.0 [1,1,0,0,0,0|1,0,1]=4 314 B11R1.91 CN(C)C=NC1=CC=CC=C1 CNP0489804.0 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.91 CN(C)CCC1=CC=CC=C1 CNP0261348.0 [1,1,0,0,0,0|1,0,1]=4 316 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 CNP0154609.1 [1,1,0,0,0,0|1,0,1]=4 317 B11R1.20 C=C(C)CC1=CC=C(C=C1)O CNP0086005.0 [1,1,0,0,0,0|1,0,0]=3 318 B11R1.20 CC(=O)CC1=CC=C(C=C1)N CNP0296510.0 [1,1,0,0,0,0|0,0,0]=2 319 B11R1.20 CC(=O)CC1=CC=C(C=C1)O CNP0263134.0 [1,1,0,0,0,0|0,0,0]=2 320 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CNP0609120.0 [1,1,0,0,0,0|1,0,0]=3 321 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br CNP0177917.0 [1,1,0,0,0,0|1,0,0]=3 322 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl CNP0147054.0 [1,1,0,0,0,0|1,0,0]=3 323 B11R1.20 CC(=O)NC1=CC=C(C=N1)Cl CNP0056612.0 [1,1,0,0,0,0|2,0,0]=4 324 B11R1.20 CC(=O)OC1=CC=C(C=C1)Br CNP0033109.0 [1,1,0,0,0,0|1,0,0]=3 325 B11R1.20 CC(=O)OC1=CC=C(C=C1)C CNP0227103.0 [1,1,0,0,0,0|1,0,0]=3 326 B11R1.20 CC(=O)OC1=CC=C(C=C1)O CNP0172781.0 [1,1,0,0,0,0|1,0,0]=3 327 B11R1.20 CC(C)CC1=CC=C(C=C1)O CNP0163738.0 [1,1,0,0,0,0|1,0,1]=4 328 B11R1.20 CC(N)CC1=CC=C(C=C1)I CNP0499686.0 [1,1,0,0,0,0|1,0,1]=4 329 B11R1.20 CC1=CC=C(C=C1)CC(C)C CNP0003406.0 [1,1,0,0,0,0|1,0,1]=4 330 B11R1.20 CC1=CC=C(C=C1)CC(C)N CNP0079876.0 [1,1,0,0,0,0|1,0,1]=4 331 B11R1.20 C[C@H](N)CC1=CC=C(C=C1)O CNP0196254.1 [1,1,0,0,0,0|1,0,1]=4 332 B11R1.20 NC(=O)CC1=CC=C(C=C1)O CNP0490937.0 [1,1,0,0,0,0|1,0,0]=3 333 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl CNP0310141.0 [1,1,0,0,0,0|2,0,0]=4 334 B11R1.20 NC(=O)NC1=CC=C(C=C1)O CNP0160153.0 [1,1,0,0,0,0|2,0,0]=4 335 B11R1.20 NC1=CC=C(C=C1)CC(=O)O CNP0379454.0 [1,1,0,0,0,0|0,0,0]=2 336 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br CNP0211748.0 [1,1,0,0,0,0|0,0,0]=2 337 B11R1.20 O=C(O)CC1=CC=C(C=C1)O CNP0212603.0 [1,1,0,0,0,0|0,0,0]=2 338 B11R1.20 O=C(O)NC1=CC=C(C=C1)Cl CNP0172129.0 [1,1,0,0,0,0|1,0,0]=3 339 B11R1.20 O=C([O-])CC1=CC=C(C=C1)O CNP0582582.0 [1,1,0,0,0,0|0,0,1]=3 340 B11R1.20 O=C1C=CC(C=C1)CC(=O)O CNP0605531.0 [1,1,0,0,0,0|0,0,1]=3 341 B11R1.36 C=C(C)[C@@H](O)C1=CC=CC=C1 CNP0098533.1 [1,1,0,0,0,0|1,0,0]=3 342 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 CNP0302092.0 [1,1,0,0,0,0|0,0,1]=3 343 B11R1.36 CC(C)[C@@H](C)C1=CC=CC=C1 CNP0042832.2 [1,1,0,0,0,0|1,0,1]=4 344 B11R1.36 CC(C)[C@H](C)C1=CC=CC=C1 CNP0042832.1 [1,1,0,0,0,0|1,0,1]=4 345 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 CNP0224074.1 [1,1,0,0,0,0|0,0,0]=2 346 B11R1.36 C[C@@H](N)[C@@H](O)C1=CC=CC=C1 CNP0148528.2 [1,1,0,0,0,0|1,0,1]=4 347 B11R1.36 C[C@@H](N)[C@H](O)C1=CC=CC=C1 CNP0148528.4 [1,1,0,0,0,0|1,0,1]=4 348 B11R1.36 C[C@@H](O)[C@@H](O)C1=CC=CC=C1 CNP0294274.3 [1,1,0,0,0,0|0,0,2]=4 349 B11R1.36 C[C@@H](O)[C@H](O)C1=CC=CC=C1 CNP0294274.2 [1,1,0,0,0,0|0,0,2]=4 350 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 CNP0224074.2 [1,1,0,0,0,0|0,0,0]=2 351 B11R1.36 C[C@H](N)C(O)[14C]1=[14CH][14CH]=[14CH][14CH]=[14CH]1 CNP0148528.5 [1,1,0,0,0,0|1,0,1]=4 352 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 CNP0148528.1 [1,1,0,0,0,0|1,0,1]=4 353 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 CNP0148528.3 [1,1,0,0,0,0|1,0,1]=4 354 B11R1.36 C[C@H](O)[C@@H](O)C1=CC=CC=C1 CNP0294274.1 [1,1,0,0,0,0|0,0,2]=4 355 B11R1.36 C[C@H](O)[C@H](O)C1=CC=CC=C1 CNP0294274.4 [1,1,0,0,0,0|0,0,2]=4 356 B11R1.36 NC(=O)C(=O)C1=CC=CC=C1 CNP0359777.0 [1,1,0,0,0,0|1,0,1]=4 357 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 CNP0218836.2 [1,1,0,0,0,0|1,0,0]=3 358 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CNP0218836.1 [1,1,0,0,0,0|1,0,0]=3 359 B11R1.36 NC(=O)[C@H](O)C1=CC=CC=C1 CNP0213891.1 [1,1,0,0,0,0|1,0,0]=3 360 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 CNP0137107.2 [1,1,0,0,0,0|0,0,0]=2 361 B11R1.36 N[C@@H](C(=O)O)C1=CC=CN=C1 CNP0515087.2 [1,1,0,0,0,0|1,0,0]=3 362 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 CNP0137107.1 [1,1,0,0,0,0|0,0,0]=2 363 B11R1.36 N[C@H](C(=O)O)C1=CC=CN=C1 CNP0515087.1 [1,1,0,0,0,0|1,0,0]=3 364 B11R1.36 O=C(Cl)C(=O)C1=CC=CC=C1 CNP0193068.0 [1,1,0,0,0,0|1,0,1]=4 365 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 CNP0256089.0 [1,1,0,0,0,0|0,0,1]=3 366 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 CNP0248394.1 [1,1,0,0,0,0|0,0,0]=2 367 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 CNP0248394.2 [1,1,0,0,0,0|0,0,0]=2 368 B11R1.86 CC(=O)C[N+]1=CC=CC=C1Br CNP0514161.0 [1,1,0,0,0,0|1,0,0]=3 369 B11R1.86 CC(=O)C[N+]1=CC=CC=C1N CNP0557788.0 [1,1,0,0,0,0|1,0,0]=3 370 B11R1.86 CC(=O)NC1=CC=CC=C1Br CNP0084593.0 [1,1,0,0,0,0|1,0,0]=3 371 B11R1.86 CC(=O)NC1=CC=CC=C1C CNP0605871.0 [1,1,0,0,0,0|1,0,0]=3 372 B11R1.86 CC(=O)NC1=CC=CC=C1Cl CNP0106127.0 [1,1,0,0,0,0|1,0,0]=3 373 B11R1.86 CC(=O)NC1=CC=CC=C1O CNP0144383.0 [1,1,0,0,0,0|1,0,0]=3 374 B11R1.86 CC(=O)OC1=CC=CC=C1Br CNP0018236.0 [1,1,0,0,0,0|1,0,0]=3 375 B11R1.86 CC(=O)OC1=CC=CC=C1C CNP0420473.0 [1,1,0,0,0,0|1,0,0]=3 376 B11R1.86 CC(=O)OC1=COC=CC1=O CNP0156706.0 [1,1,0,0,0,0|2,0,0]=4 377 B11R1.86 CC(C)CC1=CC=CC=C1O CNP0325135.0 [1,1,0,0,0,0|1,0,1]=4 378 B11R1.86 NC(=O)NC1=CC=CC=C1N CNP0330070.0 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.86 NC1=CC=CC=C1CC(=O)O CNP0248219.0 [1,1,0,0,0,0|0,0,0]=2 380 B11R1.86 O=C(O)CC1=CC=CC=C1O CNP0298923.0 [1,1,0,0,0,0|0,0,0]=2 381 B11R1.86 O=C(O)CC1=COC=CC1=O CNP0138896.0 [1,1,0,0,0,0|1,0,0]=3 382 B11R1.157 CC(=O)NC1=CC=CC(=C1)C CNP0569514.0 [1,1,0,0,0,0|1,0,0]=3 383 B11R1.157 CC(=O)NC1=CC=CC(=C1)Cl CNP0192017.0 [1,1,0,0,0,0|1,0,0]=3 384 B11R1.157 CC(=O)NC1=CC=CC(=C1)N CNP0368887.0 [1,1,0,0,0,0|1,0,0]=3 385 B11R1.157 CC(=O)NC1=CC=CC(=C1)O CNP0605398.0 [1,1,0,0,0,0|1,0,0]=3 386 B11R1.157 CC(=O)NC1=CC=CC(=N1)C CNP0225853.0 [1,1,0,0,0,0|2,0,0]=4 387 B11R1.157 CC(=O)OC1=CC=CC(=C1)C CNP0423566.0 [1,1,0,0,0,0|1,0,0]=3 388 B11R1.157 CC(=O)OC1=CC=CC(=C1)O CNP0341697.0 [1,1,0,0,0,0|1,0,0]=3 389 B11R1.157 CC1=CC=CC(=C1)CC(=O)O CNP0296551.0 [1,1,0,0,0,0|0,0,0]=2 390 B11R1.157 O=C(O)CC1=CC=CC(=C1)O CNP0342864.0 [1,1,0,0,0,0|0,0,0]=2 391 B11R1.509 CC(C)(N)CC1=CC=CC=C1 CNP0239645.0 [1,1,0,0,0,0|1,0,1]=4 392 B11R1.509 CC(C)(O)CC1=CC=CC=C1 CNP0255843.0 [1,1,0,0,0,0|0,0,2]=4 393 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 CNP0309905.0 [1,1,0,0,0,0|1,0,0]=3 394 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 CNP0563874.0 [1,1,0,0,0,0|2,0,0]=4 395 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 CNP0596726.0 [1,1,0,0,0,0|2,0,0]=4 396 B11R1.509 O=P(O)(O)OC1=CC=CC=C1 CNP0083459.0 [1,1,0,0,0,0|2,0,0]=4 397 B11R1.509 O=S(=O)(O)CC1=CC=CC=C1 CNP0529775.0 [1,1,0,0,0,0|1,0,0]=3 398 B11R1.509 O=S(=O)(O)OC1=CC=CC=C1 CNP0567034.0 [1,1,0,0,0,0|2,0,0]=4 399 B11R1.12 CC=C(C=O)C1=CC=CC=C1 CNP0164159.0 [0,1,0,0,1,0|1,0,0]=3 400 B11R1.12 COC(=NO)C1=CC=CC=C1 CNP0557037.0 [0,1,0,0,1,0|0,0,1]=3 401 B11R1.12 COC(OC)C1=CC=CC=C1 CNP0042286.0 [0,1,0,0,1,0|0,0,2]=4 402 B11R1.12 COP(OC)C1=CC=CC=C1 CNP0049160.0 [0,1,0,0,1,0|1,0,1]=4 403 B11R1.12 CO[C@H](C#N)C1=CC=CC=C1 CNP0186304.1 [0,1,0,0,1,0|1,0,1]=4 404 B11R1.12 CO[PH](OC)C1=CC=CC=C1 CNP0522233.0 [0,1,0,0,1,0|1,0,1]=4 405 B11R1.22 CC1=CC=C(C=C1)C(=O)NO CNP0029154.0 [0,1,0,0,1,0|2,0,0]=4 406 B11R1.22 CCC(=O)C1=CC=C(C=C1)N CNP0245250.0 [0,1,0,0,1,0|1,0,0]=3 407 B11R1.22 CCC(=O)C1=CC=C(C=C1)O CNP0353024.0 [0,1,0,0,1,0|1,0,0]=3 408 B11R1.22 CNC(=O)C1=CC=C(C=C1)C CNP0126468.0 [0,1,0,0,1,0|1,0,0]=3 409 B11R1.22 COC(=O)C1=CC=C(C=C1)C CNP0137727.0 [0,1,0,0,1,0|0,0,0]=2 410 B11R1.22 COC(=O)C1=CC=C(C=C1)N CNP0162858.0 [0,1,0,0,1,0|0,0,0]=2 411 B11R1.22 COC(=O)C1=CC=C(C=C1)O CNP0259416.0 [0,1,0,0,1,0|0,0,0]=2 412 B11R1.22 COC(=O)C1=COC(=O)C=C1 CNP0038303.0 [0,1,0,0,1,0|1,0,0]=3 413 B11R1.22 CO[C@H](C)C1=CC=C(C=C1)O CNP0294754.1 [0,1,0,0,1,0|1,0,1]=4 414 B11R1.22 NNC(=O)C1=CC=C(C=C1)Cl CNP0071039.0 [0,1,0,0,1,0|2,0,0]=4 415 B11R1.22 NNC(=O)C1=CC=C(C=C1)O CNP0382573.0 [0,1,0,0,1,0|2,0,0]=4 416 B11R1.22 O=C(CBr)C1=CC=C(C=C1)Br CNP0077206.0 [0,1,0,0,1,0|2,0,0]=4 417 B11R1.22 O=C(CO)C1=CC=C(C=C1)O CNP0183122.0 [0,1,0,0,1,0|2,0,0]=4 418 B11R1.22 O=C(NO)C1=CC=C(C=C1)Br CNP0218698.0 [0,1,0,0,1,0|2,0,0]=4 419 B11R1.22 O=CC(=O)C1=CC=C(C=C1)O CNP0271271.0 [0,1,0,0,1,0|2,0,0]=4 420 B11R1.23 CNC(=O)C1=CC=CC(=C1)N CNP0065493.0 [0,1,0,0,1,0|1,0,0]=3 421 B11R1.23 COC(=O)C1=CC=CC(=C1)Br CNP0260377.0 [0,1,0,0,1,0|0,0,0]=2 422 B11R1.23 COC(=O)C1=CC=CC(=C1)C CNP0189828.0 [0,1,0,0,1,0|0,0,0]=2 423 B11R1.23 COC(=O)C1=CC=CC(=C1)N CNP0145729.0 [0,1,0,0,1,0|0,0,0]=2 424 B11R1.23 COC(=O)C1=CC=CC(=C1)O CNP0301417.0 [0,1,0,0,1,0|0,0,0]=2 425 B11R1.23 NNC(=O)C1=CC=CC(=C1)Br CNP0017923.0 [0,1,0,0,1,0|2,0,0]=4 426 B11R1.23 NNC(=O)C1=CC=CC(=C1)N CNP0088265.0 [0,1,0,0,1,0|2,0,0]=4 427 B11R1.23 NNC(=O)C1=CC=CC(=C1)O CNP0218227.0 [0,1,0,0,1,0|2,0,0]=4 428 B11R1.222 CCC(=O)C1=CC=CC=C1N CNP0041241.0 [0,1,0,0,1,0|1,0,0]=3 429 B11R1.222 COC(=O)C1=CC=CC=C1I CNP0211185.0 [0,1,0,0,1,0|0,0,0]=2 430 B11R1.222 COC(=O)C1=CC=CC=C1N CNP0163520.0 [0,1,0,0,1,0|0,0,0]=2 431 B11R1.222 COC(=O)C1=CC=CC=C1O CNP0320906.0 [0,1,0,0,1,0|0,0,0]=2 432 B11R1.222 COC(=O)C1=CC=CN=C1C CNP0485999.0 [0,1,0,0,1,0|1,0,0]=3 433 B11R1.222 COC(=O)C1=CN=CC=C1N CNP0157135.0 [0,1,0,0,1,0|1,0,0]=3 434 B11R1.222 NNC(=O)C1=CC=CC=C1Cl CNP0255519.0 [0,1,0,0,1,0|2,0,0]=4 435 B11R1.222 O=C(NO)C1=CC=CC=C1O CNP0106659.0 [0,1,0,0,1,0|2,0,0]=4 436 B11R1.222 [11CH3]OC(=O)C1=CC=CC=C1O CNP0584467.0 [0,1,0,0,1,0|0,0,0]=2 437 B11R1.30 CCOC(=O)CC1=CNC=N1 CNP0326437.0 [0,1,0,0,1,0|2,0,0]=4 438 B11R1.39 COC(=O)C[C@@H]1C=CC(=O)O1 CNP0175302.2 [0,1,0,0,1,0|1,0,1]=4 439 B11R1.39 COC(=O)C[C@H]1C=CC(=O)O1 CNP0175302.1 [0,1,0,0,1,0|1,0,1]=4 440 B13R1.11 CCC(=O)NN(C)C1=CC=CC=C1 CNP0040741.0 [0,1,0,0,0,1|2,0,0]=4 441 B13R1.11 CCC(=O)O[C@H](C)C1=CC=CC=C1 CNP0247095.1 [0,1,0,0,0,1|1,0,0]=3 442 B13R1.11 COC(=O)C[C@@H](C)C1=CC=CC=C1 CNP0391081.2 [0,1,0,0,0,1|0,0,0]=2 443 B13R1.11 COC(=O)C[C@@H](N)C1=CC=CC=C1 CNP0474335.1 [0,1,0,0,0,1|0,0,0]=2 444 B13R1.11 COC(=O)C[C@@H](O)C1=CC=CC=C1 CNP0209133.2 [0,1,0,0,0,1|0,0,0]=2 445 B13R1.11 COC(=O)C[C@H](C)C1=CC=CC=C1 CNP0391081.1 [0,1,0,0,0,1|0,0,0]=2 446 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 CNP0474335.2 [0,1,0,0,0,1|0,0,0]=2 447 B13R1.11 COC(=O)C[C@H](O)C1=CC=CC=C1 CNP0209133.1 [0,1,0,0,0,1|0,0,0]=2 448 B13R1.14 CCC(=O)NNC1=CC=C(C=C1)Br CNP0033506.0 [0,1,0,0,0,1|2,0,0]=4 449 B13R1.14 CNC(=O)CCC1=CC=C(C=C1)O CNP0073787.0 [0,1,0,0,0,1|1,0,0]=3 450 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)Br CNP0066263.0 [0,1,0,0,0,1|0,0,1]=3 451 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)C CNP0331308.0 [0,1,0,0,0,1|0,0,1]=3 452 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)O CNP0173530.0 [0,1,0,0,0,1|0,0,1]=3 453 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O CNP0208741.0 [0,1,0,0,0,1|0,0,0]=2 454 B13R1.15 COC(=O)C=CC1=CC=CC(=C1)Cl CNP0033800.0 [0,1,0,0,0,1|0,0,1]=3 455 B13R1.15 COC(=O)C=CC1=CC=CC(=C1)O CNP0082062.0 [0,1,0,0,0,1|0,0,1]=3 456 B13R1.42 C=COC(=O)C=CC1=CC=CC=C1 CNP0604637.0 [0,1,0,0,0,1|0,0,2]=4 457 B13R1.42 CC#CC(=O)C=CC1=CC=CC=C1 CNP0236750.0 [0,1,0,0,0,1|1,0,1]=4 458 B13R1.42 CC=CC(=O)NNC1=CC=CC=C1 CNP0058334.0 [0,1,0,0,0,1|2,0,0]=4 459 B13R1.42 CC=CC(=O)OCC1=CC=CC=C1 CNP0605482.0 [0,1,0,0,0,1|1,0,0]=3 460 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 CNP0589106.0 [0,1,0,0,0,1|1,0,0]=3 461 B13R1.42 CCCC(=O)NNC1=CC=CC=C1 CNP0167245.0 [0,1,0,0,0,1|2,0,0]=4 462 B13R1.42 CCCC(=O)OCC1=CC=CC=C1 CNP0362696.0 [0,1,0,0,0,1|1,0,0]=3 463 B13R1.42 CCOC(=NCC1=CC=CC=C1)S CNP0609481.0 [0,1,0,0,0,1|0,1,0]=3 464 B13R1.42 CCOC(=O)C=CC1=CC=CC=C1 CNP0238965.0 [0,1,0,0,0,1|0,0,1]=3 465 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 CNP0131457.0 [0,1,0,0,0,1|0,0,0]=2 466 B13R1.42 CCOC(=S)NCC1=CC=CC=C1 CNP0330895.0 [0,1,0,0,0,1|0,1,0]=3 467 B13R1.42 O=C(C=CO)CCC1=CC=CC=C1 CNP0049810.0 [0,1,0,0,0,1|1,0,1]=4 468 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 CNP0062686.0 [0,1,0,0,0,1|1,0,0]=3 469 B13R1.42 O=C(CCO)CCC1=CC=CC=C1 CNP0150058.0 [0,1,0,0,0,1|1,0,0]=3 470 B13R1.135 CCC(=O)[C@H](O)CC1=CC=CC=C1 CNP0117427.1 [0,1,0,0,0,1|1,0,0]=3 471 B13R1.135 COC(=O)C(=CC1=CC=CC=C1)N CNP0597874.0 [0,1,0,0,0,1|0,0,1]=3 472 B13R1.135 COC(=O)C(=O)CC1=CC=CC=C1 CNP0210071.0 [0,1,0,0,0,1|0,0,0]=2 473 B13R1.135 COC(=O)[C@@H](C)NC1=CC=CC=C1 CNP0588654.2 [0,1,0,0,0,1|0,0,0]=2 474 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0261581.3 [0,1,0,0,0,1|0,0,0]=2 475 B13R1.135 COC(=O)[C@@H](N)OC1=CC=CC=C1 CNP0170775.1 [0,1,0,0,0,1|0,0,0]=2 476 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 CNP0387243.1 [0,1,0,0,0,1|0,0,0]=2 477 B13R1.135 COC(=O)[C@H](C)NC1=CC=CC=C1 CNP0588654.1 [0,1,0,0,0,1|0,0,0]=2 478 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 CNP0261581.2 [0,1,0,0,0,1|0,0,0]=2 479 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 CNP0387243.2 [0,1,0,0,0,1|0,0,0]=2 480 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(=O)CCl CNP0508331.1 [0,1,0,0,0,1|2,0,0]=4 481 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(=O)NI CNP0171534.1 [0,1,0,0,0,1|2,0,0]=4 482 B13R1.351 CC(C)C(=O)C=CC1=CC=CC=C1 CNP0418879.0 [0,1,0,0,0,1|1,0,1]=4 483 B13R1.351 CC(C)C(=O)OCC1=CC=CC=C1 CNP0039876.0 [0,1,0,0,0,1|1,0,0]=3 484 B13R1.351 C[C@H](N)C(=O)/C=C/C1=CC=CC=C1 CNP0295050.1 [0,1,0,0,0,1|1,0,1]=4 485 B13R1.417 CN=C(NC)NCC1=CC=CC=C1 CNP0598029.0 [0,1,0,0,0,1|2,0,0]=4 486 B13R1.417 COC(CCC1=CC=CC=C1)OC CNP0293429.0 [0,1,0,0,0,1|0,0,2]=4 487 B13R1.528 COC(=O)C=CC1=CC=CC=C1O CNP0476201.0 [0,1,0,0,0,1|0,0,1]=3 488 B13R1.19 CC1=CC=C(C=C1)OC(=O)CCN CNP0457555.0 [0,2,0,0,0,0|2,0,0]=4 489 B13R1.19 CCCC(=O)CC1=CC=C(C=C1)C CNP0277585.0 [0,2,0,0,0,0|1,0,0]=3 490 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)O CNP0301144.0 [0,2,0,0,0,0|0,0,0]=2 491 B13R1.19 CCOC(=O)CN1C=CC(=N)C=C1 CNP0474320.0 [0,2,0,0,0,0|1,0,0]=3 492 B13R1.19 CCOC(=O)CN1C=CC(=[N])C=C1 CNP0605739.0 [0,2,0,0,0,0|1,0,0]=3 493 B13R1.19 CCOC(=S)NC1=CC=C(C=C1)O CNP0104345.0 [0,2,0,0,0,0|1,1,0]=4 494 B13R1.19 O=CNC(=O)CC1=CC=C(C=C1)O CNP0058327.0 [0,2,0,0,0,0|1,0,1]=4 495 B13R1.20 CCOC(=O)OC1=CC=CC(=C1)O CNP0514800.0 [0,2,0,0,0,0|1,0,0]=3 496 B13R1.44 C=CCOC(=O)CC1=CC=CC=C1 CNP0293196.0 [0,2,0,0,0,0|0,0,0]=2 497 B13R1.44 CCCOC(=O)CC1=CC=CC=C1 CNP0002493.0 [0,2,0,0,0,0|0,0,0]=2 498 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 CNP0318781.0 [0,2,0,0,0,0|0,0,1]=3 499 B13R1.47 CCOC(=O)C(C)C1=CC=CC=C1 CNP0596138.0 [0,2,0,0,0,0|0,0,0]=2 500 B13R1.47 CCOC(=O)[C@H](O)C1=CC=CC=C1 CNP0145799.1 [0,2,0,0,0,0|0,0,0]=2 501 B13R1.79 CC[C@@H](CC1=CC=CC=C1)NC=O CNP0358452.2 [0,2,0,0,0,0|1,0,1]=4 502 B13R1.79 CC[C@H](CC1=CC=CC=C1)NC=O CNP0358452.1 [0,2,0,0,0,0|1,0,1]=4 503 B13R1.79 CSCC(=CC1=CC=CC=C1)C=O CNP0352550.0 [0,2,0,0,0,0|0,1,1]=4 504 B13R1.348 CC(C)CC(=O)CC1=CC=CC=C1 CNP0319392.0 [0,2,0,0,0,0|1,0,0]=3 505 B13R1.348 CC(C)OC(=O)CC1=CC=CC=C1 CNP0282252.0 [0,2,0,0,0,0|0,0,0]=2 506 B13R1.348 NC(=O)NC(=O)CC1=CC=CC=C1 CNP0191800.0 [0,2,0,0,0,0|1,0,1]=4 507 B13R1.470 CCOC(=O)CC1=CC=CC=C1O CNP0175356.0 [0,2,0,0,0,0|0,0,0]=2 508 B13R1.470 CCOC(=O)C[N+]1=CC=CC=C1Br CNP0579716.0 [0,2,0,0,0,0|1,0,0]=3 509 B13R1.21 COC(=O)C(=O)C1=CC=C(C=C1)O CNP0422883.0 [0,2,0,0,0,0|0,0,1]=3 510 B13R1.21 COC(=O)[C@@H](N)C1=CC=C(C=C1)Cl CNP0528049.2 [0,2,0,0,0,0|0,0,0]=2 511 B13R1.21 COC(=O)[C@H](N)C1=CC=C(C=C1)Cl CNP0528049.1 [0,2,0,0,0,0|0,0,0]=2 512 B13R1.22 COC(=O)[C@@H](N)C1=CC=CC(=C1)O CNP0544983.2 [0,2,0,0,0,0|0,0,0]=2 513 B13R1.22 COC(=O)[C@H](N)C1=CC=CC(=C1)O CNP0544983.1 [0,2,0,0,0,0|0,0,0]=2 514 B13R1.86 COC(OC)C(C)C1=CC=CC=C1 CNP0091794.0 [0,2,0,0,0,0|0,0,2]=4 515 B13R1.152 O=C(O)C(=O)C(O)C1=CC=CC=C1 CNP0056799.0 [0,2,0,0,0,0|2,0,0]=4 516 B13R1.532 CN[C@@H](C(=O)OC)C1=CC=CC=C1 CNP0061519.1 [0,2,0,0,0,0|0,0,0]=2 517 B13R1.532 CN[C@H](C(=O)OC)C1=CC=CC=C1 CNP0061519.2 [0,2,0,0,0,0|0,0,0]=2 518 B13R1.532 COC(=O)[C@@H](OC)C1=CC=CC=C1 CNP0274570.2 [0,2,0,0,0,0|0,0,0]=2 519 B13R1.532 COC(=O)[C@H](CO)C1=CC=CC=C1 CNP0172131.1 [0,2,0,0,0,0|0,0,0]=2 520 B13R1.532 COC(=O)[C@H](OC)C1=CC=CC=C1 CNP0274570.1 [0,2,0,0,0,0|0,0,0]=2 521 B13R1.696 COC(=O)C(=O)C1=CC=CC=C1O CNP0103137.0 [0,2,0,0,0,0|0,0,1]=3 522 B13R1.708 COC(=O)C(C)(C)C1=CC=CC=C1 CNP0043298.0 [0,2,0,0,0,0|0,0,0]=2 523 B13R1.708 COC(=O)[C@@](C)(N)C1=CC=CC=C1 CNP0581802.1 [0,2,0,0,0,0|0,0,0]=2 524 B13R1.708 COC(=O)[C@](C)(N)C1=CC=CC=C1 CNP0581802.2 [0,2,0,0,0,0|0,0,0]=2 525 B13R1.133 CC(=O)C(=O)NC1=CC=C(C=C1)Br CNP0058879.0 [0,2,0,0,0,0|2,0,0]=4 526 B13R1.133 CC(=O)C(=O)NC1=CC=C(C=C1)C CNP0188373.0 [0,2,0,0,0,0|2,0,0]=4 527 B13R1.133 CC(=O)C(=O)NC1=CC=C(C=C1)Cl CNP0065177.0 [0,2,0,0,0,0|2,0,0]=4 528 B13R1.133 CC(=O)C(=O)NC1=CC=C(C=C1)I CNP0050257.0 [0,2,0,0,0,0|2,0,0]=4 529 B13R1.133 CC1=CC=C(C=C1)CC(=O)C(=O)O CNP0582979.0 [0,2,0,0,0,0|2,0,0]=4 530 B13R1.133 CC1=CC=C(C=C1)OC(=O)C(C)C CNP0286519.0 [0,2,0,0,0,0|2,0,0]=4 531 B13R1.133 O=C(O)C(=O)CC1=CC=C(C=C1)O CNP0412003.0 [0,2,0,0,0,0|2,0,0]=4 532 B13R1.148 O=C(O)C(=O)CC1=CC=CC(=C1)O CNP0150167.0 [0,2,0,0,0,0|2,0,0]=4 533 B13R1.202 CC1=CC=CC=C1OC(=O)C(C)C CNP0365706.0 [0,2,0,0,0,0|2,0,0]=4 534 B13R1.202 O=C(O)C(=O)CC1=CC=CC=C1O CNP0164162.0 [0,2,0,0,0,0|2,0,0]=4 535 B13R1.418 CC(=O)C(=CN)CC1=CC=CC=C1 CNP0043268.0 [0,2,0,0,0,0|2,0,0]=4 536 B13R1.418 CC(=O)[C@@H](C=O)CC1=CC=CC=C1 CNP0392217.1 [0,2,0,0,0,0|1,0,1]=4 537 B13R1.418 CC(=O)[C@H](C=O)CC1=CC=CC=C1 CNP0392217.2 [0,2,0,0,0,0|1,0,1]=4 538 B13R1.418 CCC(=CC1=CC=CC=C1)C(=O)O CNP0325742.0 [0,2,0,0,0,0|1,0,1]=4 539 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O CNP0187424.1 [0,2,0,0,0,0|1,0,1]=4 540 B13R1.418 CN[C@H](CC1=CC=CC=C1)C(=O)O CNP0187424.2 [0,2,0,0,0,0|1,0,1]=4 541 B13R1.418 COC(=CC1=CC=CC=C1)C(=O)O CNP0540263.0 [0,2,0,0,0,0|0,0,1]=3 542 B13R1.418 CO[C@@H](CC1=CC=CC=C1)C(=O)O CNP0243391.2 [0,2,0,0,0,0|0,0,1]=3 543 B13R1.418 CO[C@H](CC1=CC=CC=C1)C(=O)O CNP0243391.1 [0,2,0,0,0,0|0,0,1]=3 544 B13R1.418 NC(=O)C(=NO)CC1=CC=CC=C1 CNP0186138.0 [0,2,0,0,0,0|2,0,0]=4 545 B13R1.418 O=C(O)C(=NO)CC1=CC=CC=C1 CNP0272865.0 [0,2,0,0,0,0|2,0,0]=4 546 B13R1.5 COC(=O)CC1=CC=C(C=C1)CO CNP0556872.0 [0,2,0,0,0,0|0,0,0]=2 547 B13R1.5 COC(=O)CC1=CC=C(C=C1)OC CNP0285139.0 [0,2,0,0,0,0|0,0,0]=2 548 B13R1.2679 COC(=O)CC1=CC=C(C=C1O)O CNP0527906.0 [0,2,0,0,0,0|0,0,0]=2 549 B13R1.2879 CCC(=O)NC1=CC=C(C(=C1)Cl)Cl CNP0566615.0 [0,2,0,0,0,0|2,0,0]=4 550 B13R1.2879 CNC(=O)NC1=CC=C(C(=C1)Cl)Cl CNP0171925.0 [0,2,0,0,0,0|2,0,0]=4 551 B13R1.2879 CNC(=O)OC1=CC=C(C(=C1)C)C CNP0033103.0 [0,2,0,0,0,0|2,0,0]=4 552 B13R1.2879 COC(=O)CC1=CC=C(C(=C1)Br)O CNP0313435.0 [0,2,0,0,0,0|0,0,0]=2 553 B13R1.2879 COC(=O)CC1=CC=C(C(=C1)O)O CNP0226998.0 [0,2,0,0,0,0|0,0,0]=2 554 B13R1.4920 COC(=O)CC1(C=CC(=O)C=C1)C CNP0134641.0 [0,2,0,0,0,0|0,0,1]=3 555 B13R1.4920 COC(=O)CC1(C=CC(=O)C=C1)O CNP0209156.0 [0,2,0,0,0,0|0,0,1]=3 556 B13R1.2872 COC(=O)CC1=CC(=CC=C1O)O CNP0306666.0 [0,2,0,0,0,0|0,0,0]=2 557 B13R1.3080 CO[P@@](=O)(CCl)OC1=CC=CC=C1 CNP0321664.2 [0,2,0,0,0,0|2,0,0]=4 558 B13R1.3080 CO[P@](=O)(CCl)OC1=CC=CC=C1 CNP0321664.1 [0,2,0,0,0,0|2,0,0]=4 559 B13R1.91 CCC(=O)OC1=CC=CC=C1OC CNP0597322.0 [0,2,0,0,0,0|2,0,0]=4 560 B13R1.91 COC(=O)CC1=CC=CC=C1OC CNP0499525.0 [0,2,0,0,0,0|0,0,0]=2 561 B11R1.25 COC(=O)C=CC1=CC=CO1 CNP0003236.0 [0,0,1,1,0,0|1,0,1]=4 562 B11R1.25 COC(=O)C=CC1=CNC=C1 CNP0269800.0 [0,0,1,1,0,0|1,0,1]=4 563 B11R1.852 COC(=O)C1=CC=CC=CO1 CNP0163197.0 [0,0,1,1,0,0|1,0,1]=4 564 B11R2.1 CC1=CCC2=CC=CC=C12 CNP0299127.0 [1,0,0,1,0,0|1,0,0]=3 565 B11R2.1 CC1=CNC2=CC=CC=C12 CNP0217136.0 [1,0,0,1,0,0|2,0,0]=4 566 B11R2.1 CC1=CSC2=CC=CC=C12 CNP0239254.0 [1,0,0,1,0,0|2,0,0]=4 567 B11R2.1 C[C@@H]1C=CC2=CC=CC=C12 CNP0066516.2 [1,0,0,1,0,0|1,0,1]=4 568 B11R2.1 C[C@H]1C=CC2=CC=CC=C12 CNP0066516.1 [1,0,0,1,0,0|1,0,1]=4 569 B11R2.1 C[C@H]1CCC2=CC=CC=C12 CNP0102551.1 [1,0,0,1,0,0|1,0,1]=4 570 B11R2.20 C1=CC2=CC=CC=C2CC1 CNP0077119.0 [1,0,0,1,0,0|1,0,1]=4 571 B11R2.20 C1=CC2=CC=CC=C2CN1 CNP0424699.0 [1,0,0,1,0,0|1,0,1]=4 572 B11R2.20 C1=CC=C2CCCCC2=C1 CNP0326274.0 [1,0,0,1,0,0|1,0,1]=4 573 B11R2.20 C1=CC=C2CNCCC2=C1 CNP0371971.0 [1,0,0,1,0,0|1,0,1]=4 574 B11R2.20 C1=CC=C2OCOCC2=C1 CNP0488245.0 [1,0,0,1,0,0|1,0,1]=4 575 B11R2.988 ON=C1CC2=CC=CC=C12 CNP0045163.0 [1,0,0,1,0,0|2,0,0]=4 576 B11R2.10 CC1=CC2=CC=CC=C2N1 CNP0223946.0 [1,0,0,1,0,0|1,0,1]=4 577 B11R2.10 CC1=CC2=CC=CC=C2O1 CNP0333088.0 [1,0,0,1,0,0|0,0,2]=4 578 B11R2.10 CC1=CC2=CC=CC=C2S1 CNP0195624.0 [1,0,0,1,0,0|0,1,1]=4 579 B11R2.10 CC1=NC2=CC=CC=C2O1 CNP0419573.0 [1,0,0,1,0,0|1,0,1]=4 580 B11R2.10 CC1=NC2=CC=CC=C2S1 CNP0308312.0 [1,0,0,1,0,0|1,1,0]=4 581 B11R2.10 C[C@@H]1CC2=CC=CC=C2N1 CNP0247446.2 [1,0,0,1,0,0|1,0,1]=4 582 B11R2.10 C[C@H]1CC2=CC=CC=C2N1 CNP0247446.1 [1,0,0,1,0,0|1,0,1]=4 583 B11R2.10 O=C1C=C2C=CC=CC2=N1 CNP0594715.0 [1,0,0,1,0,0|1,0,1]=4 584 B11R2.10 O=C1C=C2C=COC=C2O1 CNP0541223.0 [1,0,0,1,0,0|1,0,1]=4 585 B11R2.10 O=C1C=C2CC=CC=C2O1 CNP0610824.0 [1,0,0,1,0,0|0,0,2]=4 586 B11R2.10 O=C1CC2=CC=CC=C2N1 CNP0161017.0 [1,0,0,1,0,0|1,0,0]=3 587 B11R2.10 O=C1CC2=CC=CC=C2O1 CNP0562926.0 [1,0,0,1,0,0|0,0,0]=2 588 B11R2.10 O=C1NC2=CC=CC=C2O1 CNP0175268.0 [1,0,0,1,0,0|1,0,0]=3 589 B11R2.10 O=C1NC2=CC=CC=C2S1 CNP0569879.0 [1,0,0,1,0,0|1,1,0]=4 590 B11R2.10 OC1=NC2=CC=CC=C2C1 CNP0587736.0 [1,0,0,1,0,0|1,0,0]=3 591 B11R2.10 OC1=NC2=CC=CC=C2O1 CNP0479137.0 [1,0,0,1,0,0|1,0,1]=4 592 B11R2.10 OC1=NC2=CC=CC=C2S1 CNP0172585.0 [1,0,0,1,0,0|1,1,0]=4 593 B11R2.59 CC1(CC2=CC=CC=C12)C CNP0056719.0 [1,0,0,1,0,0|1,0,1]=4 594 B11R2.59 C[C@@]1(CC2=CC=CC=C12)O CNP0029617.2 [1,0,0,1,0,0|0,0,2]=4 595 B11R2.59 C[C@]1(CC2=CC=CC=C12)O CNP0029617.1 [1,0,0,1,0,0|0,0,2]=4 596 B11R2.54 O=C1C(=O)C2=CC=CC=C12 CNP0458247.0 [0,0,0,1,1,0|2,0,0]=4 597 B11R2.54 O=C1C2=CC=CC=C2[C@@H]1Cl CNP0371537.2 [0,0,0,1,1,0|2,0,0]=4 598 B11R2.54 O=C1C2=CC=CC=C2[C@H]1Cl CNP0371537.1 [0,0,0,1,1,0|2,0,0]=4 599 B13R2.10 NC1=NCC(O1)C2=CC=CC=C2 CNP0519009.0 [0,0,0,1,0,1|2,0,0]=4 600 B13R2.10 O=C1C=C(CO1)C2=CC=CC=C2 CNP0352665.0 [0,0,0,1,0,1|0,0,1]=3 601 B13R2.10 O=C1CC[C@H](N1)C2=CC=CN=C2 CNP0119552.1 [0,0,0,1,0,1|2,0,0]=4 602 B13R2.10 O=C1NC[C@@H](O1)C2=CC=CC=C2 CNP0207381.1 [0,0,0,1,0,1|1,0,0]=3 603 B13R2.10 O=C1NC[C@H](O1)C2=CC=CC=C2 CNP0207381.2 [0,0,0,1,0,1|1,0,0]=3 604 B13R2.10 S=C1NC[C@@H](O1)C2=CC=CC=C2 CNP0144055.1 [0,0,0,1,0,1|1,1,0]=4 605 B13R2.10 S=C1NC[C@H](O1)C2=CC=CC=C2 CNP0144055.2 [0,0,0,1,0,1|1,1,0]=4 606 B13R2.10 SC1=NC[C@@H](O1)C2=CC=CC=C2 CNP0608607.1 [0,0,0,1,0,1|1,1,0]=4 607 B13R2.32 CN1C(=O)C=CC2=CC=CC=C12 CNP0123557.0 [0,0,0,1,0,1|1,0,1]=4 608 B13R2.32 O=C1COC2=CC=CC=C2N1O CNP0252582.0 [0,0,0,1,0,1|2,0,0]=4 609 B13R2.33 O=C1CCC2=CC=CC=C2CC1 CNP0327972.0 [0,0,0,1,0,1|1,0,0]=3 610 B13R2.33 O=C1CCC2=CC=CC=C2OC1 CNP0162308.0 [0,0,0,1,0,1|1,0,0]=3 611 B13R2.57 COC1=CC=C2C=CC=CC2=C1 CNP0110785.0 [0,0,0,1,0,1|1,0,1]=4 612 B13R2.15 O=C1CCC=C1C2=CC=CC=C2 CNP0587845.0 [0,1,0,1,0,0|1,0,1]=4 613 B13R2.64 C1=CC=C(C=C1)CC2=CC=CO2 CNP0531812.0 [0,1,0,1,0,0|1,0,1]=4 614 B13R2.64 C1=CC=C(C=C1)CC2=NCCN2 CNP0133359.0 [0,1,0,1,0,0|2,0,0]=4 615 B13R2.64 C1=CC=C(C=C1)CC2=[NH+]CCN2 CNP0605683.0 [0,1,0,1,0,0|2,0,0]=4 616 B13R2.135 CC=C1C(=O)NC2=CC=CC=C12 CNP0115557.0 [0,1,0,1,0,0|2,0,0]=4 617 B13R2.135 CO[C@H]1C2=CC=CC=C2C[C@H]1O CNP0310870.1 [0,1,0,1,0,0|0,0,2]=4 618 B13R2.135 O=CC1C(=O)CC2=CC=CC=C12 CNP0532845.0 [0,1,0,1,0,0|1,0,1]=4 619 B13R2.328 CC1=CC(=O)NC2=CC=CC=C12 CNP0579434.0 [0,1,0,1,0,0|2,0,0]=4 620 B13R2.328 CC1=CC(=O)OC2=CC=CC=C12 CNP0027289.0 [0,1,0,1,0,0|2,0,0]=4 621 B13R2.328 C[C@@H]1NC(=O)CC2=CC=NC=C12 CNP0192183.1 [0,1,0,1,0,0|2,0,0]=4 622 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 CNP0028027.0 [0,1,0,1,0,0|1,0,1]=4 623 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 CNP0265654.0 [0,1,0,1,0,0|0,0,1]=3 624 B13R2.328 O=C1CC2=CC=CC=C2C(=S)N1 CNP0149436.0 [0,1,0,1,0,0|1,0,1]=4 625 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 CNP0468495.0 [0,1,0,1,0,0|1,0,1]=4 626 B13R2.45 CC1=C(CC2=CC=CC=C12)C#N CNP0059900.0 [0,1,0,1,0,0|2,0,0]=4 627 B13R2.3076 CC1=C(C1(C)C2=CC=CC=C2)C CNP0518604.0 [0,1,0,1,0,0|2,0,0]=4 628 B13R2.3085 CC1=C(C(C2=CC=CC=C12)C)C CNP0214533.0 [0,1,0,1,0,0|2,0,0]=4 629 B13R2.3085 CN1C(=O)C(=O)C2=CC=CC=C12 CNP0558551.0 [0,1,0,1,0,0|1,0,1]=4 630 B13R2.359 C[C@]1(C(=O)NC2=CC=CC=C12)O CNP0292518.1 [0,1,0,1,0,0|2,0,0]=4 631 B13R2.369 CC1=CC2=CC=CC=C2OC1=O CNP0554094.0 [0,1,0,1,0,0|2,0,0]=4 632 B13R2.435 CC(=O)C1=CC2=CC=CC=C2C1 CNP0049314.0 [0,1,0,1,0,0|2,0,0]=4 633 B13R2.3683 CC1=CC=C2CC(=O)CCC2=C1 CNP0271833.0 [0,1,0,1,0,0|1,0,0]=3 634 B13R2.3683 CC1=CC=C2SC(=O)CCC2=C1 CNP0223788.0 [0,1,0,1,0,0|2,0,0]=4 635 B13R2.3683 O=C1C=C2CCC(=O)CC2=CC1 CNP0541100.0 [0,1,0,1,0,0|1,0,1]=4 636 B13R2.3683 O=C1CCC2=CC(=CC=C2N1)O CNP0247732.0 [0,1,0,1,0,0|2,0,0]=4 637 B13R2.155 O=C1CCC2=CC=C(C=C2O1)O CNP0221407.0 [0,1,0,1,0,0|2,0,0]=4 638 B13R2.5179 C[C@@H]1CC2=CC=CC(=C2CO1)O CNP0283182.1 [0,1,0,1,0,0|1,0,1]=4 639 B13R2.5179 C[C@H]1CC2=CC=CC(=C2CO1)O CNP0283182.2 [0,1,0,1,0,0|1,0,1]=4 640 B13R2.5190 CC1=CC=C2C(=C1)OC(=O)C2C CNP0002673.0 [0,1,0,1,0,0|2,0,0]=4 641 B13R2.5190 CN1C(=O)CC2=CC(=CC=C12)Br CNP0119726.0 [0,1,0,1,0,0|1,0,0]=3 642 B13R2.5190 CN1C(=O)SC2=CC(=CC=C12)O CNP0254565.0 [0,1,0,1,0,0|2,0,0]=4 643 B13R2.162 O=C1CCC2=CC=CC(=C2N1)O CNP0075698.0 [0,1,0,1,0,0|2,0,0]=4 644 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [1,0,0,0,1,0|1,0,0]=3 645 B9R1.6 C=C(C)C1=CC=NC=C1 CNP0553968.0 [1,0,0,0,1,0|2,0,0]=4 646 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [1,0,0,0,1,0|0,0,0]=2 647 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [1,0,0,0,1,0|1,0,0]=3 648 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [1,0,0,0,1,0|1,0,0]=3 649 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [1,0,0,0,1,0|1,0,0]=3 650 B9R1.6 CC(=O)C1=CN=CC=N1 CNP0114026.0 [1,0,0,0,1,0|2,0,0]=4 651 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [1,0,0,0,1,0|1,0,1]=4 652 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [1,0,0,0,1,0|2,0,0]=4 653 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [1,0,0,0,1,0|1,0,1]=4 654 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [1,0,0,0,1,0|0,0,2]=4 655 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [1,0,0,0,1,0|1,0,1]=4 656 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [1,0,0,0,1,0|0,0,2]=4 657 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [1,0,0,0,1,0|1,0,1]=4 658 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [1,0,0,0,1,0|2,0,0]=4 659 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [1,0,0,0,1,0|1,0,0]=3 660 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [1,0,0,0,1,0|2,0,0]=4 661 B9R1.6 NC(=O)C1=CC=CN=C1 CNP0150794.0 [1,0,0,0,1,0|2,0,0]=4 662 B9R1.6 NC(=O)C1=CC=NC=C1 CNP0029893.0 [1,0,0,0,1,0|2,0,0]=4 663 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [1,0,0,0,1,0|2,0,0]=4 664 B9R1.6 O=C(Cl)C1=CC=CN=C1 CNP0165890.0 [1,0,0,0,1,0|2,0,0]=4 665 B9R1.6 O=C(Cl)C1=CC=NC=C1 CNP0030473.0 [1,0,0,0,1,0|2,0,0]=4 666 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [1,0,0,0,1,0|0,0,0]=2 667 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [1,0,0,0,1,0|1,0,0]=3 668 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [1,0,0,0,1,0|1,0,0]=3 669 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [1,0,0,0,1,0|1,0,0]=3 670 B9R1.6 O=C(O)C1=CN=CC=N1 CNP0274739.0 [1,0,0,0,1,0|2,0,0]=4 671 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [1,0,0,0,1,0|0,1,0]=3 672 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [1,0,0,0,1,0|0,0,1]=3 673 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [1,0,0,0,1,0|0,0,1]=3 674 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [1,0,0,0,1,0|0,0,1]=3 675 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [1,0,0,0,1,0|1,0,1]=4 676 B9R1.6 O=C([O-])C1=CC=CN=C1 CNP0546767.0 [1,0,0,0,1,0|1,0,1]=4 677 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [1,0,0,0,1,0|1,0,0]=3 678 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [1,0,0,0,1,0|1,0,1]=4 679 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [1,0,0,0,1,0|1,0,0]=3 680 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [1,0,0,0,1,0|1,0,0]=3 681 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [1,0,0,0,1,0|1,0,0]=3 682 B9R1.6 OB(O)C1=CC=CC=C1 CNP0209672.0 [1,0,0,0,1,0|1,0,1]=4 683 B9R1.13 CC(=O)CC1=CC=CO1 CNP0006332.0 [1,0,0,0,1,0|1,0,0]=3 684 B9R1.13 CC(=O)OC1=CC=CO1 CNP0343204.0 [1,0,0,0,1,0|2,0,0]=4 685 B9R1.13 O=C(O)CC1=CC=CS1 CNP0036225.0 [1,0,0,0,1,0|1,0,0]=3 686 B9R1.13 O=C(O)CC1=CN=CN1 CNP0253943.0 [1,0,0,0,1,0|2,0,0]=4 687 B9R1.13 O=C(O)CC1=CNC=N1 CNP0530503.0 [1,0,0,0,1,0|2,0,0]=4 688 B9R1.13 O=C(O)CC1=CSC=C1 CNP0525463.0 [1,0,0,0,1,0|1,0,0]=3 689 B9R1.13 O=C(O)CN1C=CN=C1 CNP0251391.0 [1,0,0,0,1,0|2,0,0]=4 690 B9R1.11 CCC(=O)C1=CC=CN1 CNP0311419.0 [0,0,0,0,2,0|2,0,0]=4 691 B9R1.11 CCC(=O)C1=CC=CO1 CNP0230679.0 [0,0,0,0,2,0|2,0,0]=4 692 B9R1.11 CCC(=O)C1=CC=CS1 CNP0274968.0 [0,0,0,0,2,0|2,0,0]=4 693 B9R1.11 COC(=O)C1=CC=CN1 CNP0239045.0 [0,0,0,0,2,0|1,0,0]=3 694 B9R1.11 COC(=O)C1=CC=CO1 CNP0272116.0 [0,0,0,0,2,0|1,0,0]=3 695 B9R1.11 COC(=O)C1=COC=C1 CNP0209204.0 [0,0,0,0,2,0|1,0,0]=3 696 B9R1.11 COC(=O)C1=NNC=C1 CNP0060175.0 [0,0,0,0,2,0|2,0,0]=4 697 B9R1.11 COC(=O)N1C=CN=C1 CNP0310678.0 [0,0,0,0,2,0|2,0,0]=4 698 B9R1.11 CSC(=O)C1=CC=CO1 CNP0002776.0 [0,0,0,0,2,0|1,1,0]=4 699 B13R1.718 CCC(=O)NCCC1=CC=CC=C1 CNP0122784.0 [0,0,0,0,0,2|1,0,0]=3 700 B13R1.718 CCC(=O)OCCC1=CC=CC=C1 CNP0080166.0 [0,0,0,0,0,2|1,0,0]=3 701 B13R1.718 COC(=O)C=CNC1=CC=CC=C1 CNP0065304.0 [0,0,0,0,0,2|0,0,1]=3 702 B13R1.718 COC(=O)CC=CC1=CC=CC=C1 CNP0207145.0 [0,0,0,0,0,2|0,0,0]=2 703 B13R1.718 COC(=O)CCCC1=CC=CC=C1 CNP0068339.0 [0,0,0,0,0,2|0,0,0]=2 704 B13R1.718 COC(=O)CNCC1=CC=CC=C1 CNP0175539.0 [0,0,0,0,0,2|0,0,0]=2