0 B9R1.12 CCCCC1=CC=CO1 CNP0200391.0 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.12 CCCCC1=CN=CO1 CNP0072036.0 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.12 CCOCC1=CC=CO1 CNP0002487.0 [0,0,0,0,0,0|1,1,1]=3 3 B9R1.12 CCSCC1=CC=CO1 CNP0025241.0 [0,0,0,0,0,0|1,0,1]=2 4 B9R1.12 CSSCC1=CC=CO1 CNP0002883.0 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.12 O=CC#CC1=CC=CS1 CNP0321197.0 [0,0,0,0,0,0|1,1,1]=3 6 B9R1.12 O=CC=CC1=CC=CO1 CNP0003159.0 [0,0,0,0,0,0|1,0,1]=2 7 B9R1.12 O=CNCC1=CC=CO1 CNP0029329.0 [0,0,0,0,0,0|1,0,0]=1 8 B9R1.12 O=COCC1=CC=CO1 CNP0574943.0 [0,0,0,0,0,0|0,1,0]=1 9 B9R1.12 O=CSCC1=CC=CO1 CNP0002781.0 [0,0,0,0,0,0|0,0,0]=0 10 B8R1.8 C=CCC1=CC=CO1 CNP0320251.0 [1,0,0,0,0,0|1,0,0]=2 11 B8R1.8 C=CCN1C=CC=C1 CNP0126434.0 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.8 CC=CC1=CC=CO1 CNP0546810.0 [1,0,0,0,0,0|1,0,1]=3 13 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [1,0,0,0,0,0|1,0,1]=3 14 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [1,0,0,0,0,0|1,1,1]=4 15 B8R1.8 COCC1=CC=CO1 CNP0352777.0 [1,0,0,0,0,0|0,1,1]=3 16 B8R1.8 CSCC1=CC=CO1 CNP0210832.0 [1,0,0,0,0,0|0,0,1]=2 17 B8R1.8 CSSC1=CC=CS1 CNP0077836.0 [1,0,0,0,0,0|1,1,1]=4 18 B8R1.8 N#CCC1=CC=CS1 CNP0035318.0 [1,0,0,0,0,0|1,1,1]=4 19 B8R1.8 O=CCC1=CC=CO1 CNP0576959.0 [1,0,0,0,0,0|0,0,0]=1 20 B8R1.8 O=CCC1=CN=CN1 CNP0573000.0 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.8 O=CCC1=CNC=N1 CNP0083568.0 [1,0,0,0,0,0|2,0,0]=3 22 B8R1.8 O=CCC1CC=CC1 CNP0086435.0 [1,0,0,0,0,0|1,0,2]=4 23 B8R1.8 OCCC1=CC=CS1 CNP0577450.0 [1,0,0,0,0,0|0,1,2]=4 24 B10R1.11 O=CNC(=O)C1=CC=CN1 CNP0189867.0 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.16 CCCCC1=CC(=CO1)C CNP0574167.0 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.21 CCC=CCC1=CC=CO1 CNP0453749.0 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.21 CCCCCC1=CC=CO1 CNP0210535.0 [0,1,0,0,0,0|2,0,1]=4 28 B10R1.27 CC(=CC1=CC=CO1)C=O CNP0085269.0 [0,1,0,0,0,0|1,0,1]=3 29 B10R1.27 CCC(=O)CC1=CC=CO1 CNP0611998.0 [0,1,0,0,0,0|2,0,1]=4 30 B10R1.27 N[C@H](C=O)CC1=CN=CN1 CNP0338079.1 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.27 N[C@H](C=O)CC1=CNC=N1 CNP0586262.1 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.66 CC(=O)C=CC1=CC=CO1 CNP0253881.0 [0,1,0,0,0,0|1,0,1]=3 33 B10R1.66 CC(=O)OCC1=CC=CO1 CNP0413526.0 [0,1,0,0,0,0|0,1,0]=2 34 B10R1.66 CC(=O)SCC1=CC=CO1 CNP0018548.0 [0,1,0,0,0,0|0,0,0]=1 35 B10R1.66 CC(C)SCC1=CC=CO1 CNP0002931.0 [0,1,0,0,0,0|1,0,1]=3 36 B10R1.66 NC(=O)C=CC1=CC=CO1 CNP0083004.0 [0,1,0,0,0,0|1,0,1]=3 37 B10R1.66 O=C(O)C=CC1=CC=CO1 CNP0477259.0 [0,1,0,0,0,0|1,0,1]=3 38 B10R1.66 O=C(O)CCC1=CN=CN1 CNP0491849.0 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.66 O=C(O)CCC1=CNC=N1 CNP0199628.0 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.66 O=C(O)CCC1=COC=N1 CNP0072528.0 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.66 O=[N+]([O-])C=CC1=CC=CO1 CNP0511622.0 [0,1,0,0,0,0|2,0,1]=4 42 B10R2.7 C1=CC=C2OC=CC2=C1 CNP0281508.0 [0,0,0,1,0,0|2,0,1]=4 43 B10R2.7 C1=CN2C=CC=C2CS1 CNP0386414.0 [0,0,0,1,0,0|2,0,0]=3 44 B10R2.32 O=C1CCC2=C1C=CS2 CNP0047284.0 [0,0,0,1,0,0|1,1,0]=3 45 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [0,0,0,0,0,1|3,0,0]=4 46 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [0,0,0,0,0,1|3,0,0]=4 47 B10R1.17 CC=CCC1=CC=CCC1 CNP0130586.0 [0,0,0,0,0,1|3,0,0]=4 48 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [0,0,0,0,0,1|2,0,1]=4 49 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [0,0,0,0,0,1|3,0,0]=4 50 B10R1.17 N#CSCC1=CC=CC=C1 CNP0192930.0 [0,0,0,0,0,1|2,0,1]=4 51 B10R1.17 O=C=NCC1=CC=CC=C1 CNP0498912.0 [0,0,0,0,0,1|2,0,1]=4 52 B10R1.17 O=CC=CC1=CC=CC=C1 CNP0279382.0 [0,0,0,0,0,1|2,0,1]=4 53 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [0,0,0,0,0,1|2,0,0]=3 54 B10R1.17 O=CNCC1=CC=CC=C1 CNP0021384.0 [0,0,0,0,0,1|2,0,0]=3 55 B10R1.17 O=CNNC1=CC=CC=C1 CNP0045586.0 [0,0,0,0,0,1|3,0,0]=4 56 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [0,0,0,0,0,1|1,1,0]=3 57 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [0,0,0,0,0,1|1,0,2]=4 58 B10R1.17 S=CNCC1=CC=CC=C1 CNP0159195.0 [0,0,0,0,0,1|2,1,0]=4 59 B7R0.1 C=CC=CCC=CC CNP0290357.0 [1,0,1,0,0,0|2,0,0]=4 60 B7R0.1 C=CC=CCCC=C CNP0365770.0 [1,0,1,0,0,0|2,0,0]=4 61 B7R0.1 CCCC=CC=CO CNP0524724.0 [1,0,1,0,0,0|1,0,1]=4 62 B7R0.1 O=CC=CC=CC=O CNP0204128.0 [1,0,1,0,0,0|0,0,2]=4 63 B7R0.1 O=CC=CC=CCO CNP0296757.0 [1,0,1,0,0,0|0,0,2]=4 64 B7R0.3 C=CC(=C)CCC=O CNP0610455.0 [1,0,1,0,0,0|1,0,0]=3 65 B7R0.3 C=CCCC(=C)C=C CNP0603134.0 [1,0,1,0,0,0|2,0,0]=4 66 B7R1.1 C=CC1=CC=CO1 CNP0554274.0 [2,0,0,0,0,0|0,0,1]=3 67 B7R1.1 C=CC1=CC=CS1 CNP0141578.0 [2,0,0,0,0,0|0,1,1]=4 68 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [2,0,0,0,0,0|0,0,1]=3 69 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [2,0,0,0,0,0|0,1,1]=4 70 B7R1.1 N#CC1=CC=CO1 CNP0171436.0 [2,0,0,0,0,0|1,0,1]=4 71 B7R1.1 O=CC1=CC=CN1 CNP0105766.0 [2,0,0,0,0,0|1,0,0]=3 72 B7R1.1 O=CC1=CC=CO1 CNP0178160.0 [2,0,0,0,0,0|0,0,0]=2 73 B7R1.1 O=CC1=CC=CS1 CNP0079082.0 [2,0,0,0,0,0|0,1,0]=3 74 B7R1.1 O=CC1=COC=C1 CNP0234092.0 [2,0,0,0,0,0|2,0,0]=4 75 B7R1.1 O=CC1=CSC=C1 CNP0351223.0 [2,0,0,0,0,0|2,0,0]=4 76 B7R1.1 O=CN1C=CC=C1 CNP0265883.0 [2,0,0,0,0,0|2,0,0]=4 77 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [2,0,0,0,0,0|0,0,1]=3 78 B7R1.1 OCC1=CC=CS1 CNP0037393.0 [2,0,0,0,0,0|0,1,1]=4 79 B7R1.1 SCC1=CC=CO1 CNP0246335.0 [2,0,0,0,0,0|0,0,0]=2 80 B7R1.1 SCC1=CC=CS1 CNP0040483.0 [2,0,0,0,0,0|0,1,0]=3 81 B9R0.2 CC=CC=CCCC(=O)C CNP0426415.0 [0,1,1,0,0,0|2,0,0]=4 82 B9R1.7 CN1C=NC(=C1)CC=O CNP0083533.0 [1,1,0,0,0,0|2,0,0]=4 83 B9R1.11 CSC(=O)C1=CC=CO1 CNP0002776.0 [1,1,0,0,0,0|0,0,2]=4 84 B9R1.11 OC[C@@H](O)C1=CC=CO1 CNP0178385.1 [1,1,0,0,0,0|0,0,2]=4 85 B9R1.13 CC(=O)CC1=CC=CO1 CNP0006332.0 [1,1,0,0,0,0|0,0,0]=2 86 B9R1.13 CC(=O)OC1=CC=CO1 CNP0343204.0 [1,1,0,0,0,0|0,1,0]=3 87 B9R1.13 O=C(O)CC1=CC=CS1 CNP0036225.0 [1,1,0,0,0,0|0,1,0]=3 88 B9R1.13 O=C(O)CC1=CN=CN1 CNP0253943.0 [1,1,0,0,0,0|2,0,0]=4 89 B9R1.13 O=C(O)CC1=CNC=N1 CNP0530503.0 [1,1,0,0,0,0|2,0,0]=4 90 B9R1.13 O=C(O)CC1=CSC=C1 CNP0525463.0 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.1 O=CCCC1=CC=C(C=C1)O CNP0088339.0 [0,1,0,0,0,1|2,0,0]=4 92 B11R1.16 CC(CC=O)C1=CC=CC=C1 CNP0079862.0 [0,1,0,0,0,1|2,0,0]=4 93 B11R1.16 CC(OC=O)C1=CC=CC=C1 CNP0002788.0 [0,1,0,0,0,1|1,1,0]=4 94 B11R1.17 CC1=CC=CC=C1COC=O CNP0058741.0 [0,1,0,0,0,1|1,1,0]=4 95 B11R1.28 O=CC=CCC1=CC=CC=C1 CNP0157371.0 [0,1,0,0,0,1|2,0,0]=4 96 B11R1.28 O=COCCC1=CC=CC=C1 CNP0271229.0 [0,1,0,0,0,1|1,1,0]=4 97 B11R1.40 C[C@@H](C=O)CC1=CC=CC=C1 CNP0101541.1 [0,1,0,0,0,1|2,0,0]=4 98 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0540734.1 [0,1,0,0,0,1|2,0,0]=4 99 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0545581.1 [0,1,0,0,0,1|2,0,0]=4 100 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0559492.0 [0,1,0,0,0,1|2,0,0]=4 101 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0578552.0 [0,1,0,0,0,1|2,0,0]=4 102 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [0,1,0,0,0,1|2,0,0]=4 103 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [0,1,0,0,0,1|1,1,0]=4 104 B11R1.91 NC(=O)CCC1=CC=CC=C1 CNP0190126.0 [0,1,0,0,0,1|2,0,0]=4 105 B11R1.91 NC(=O)NCC1=CC=CC=C1 CNP0071045.0 [0,1,0,0,0,1|2,0,0]=4 106 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 CNP0330120.0 [0,1,0,0,0,1|2,0,0]=4 107 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [0,1,0,0,0,1|2,0,0]=4 108 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [0,1,0,0,0,1|2,0,0]=4 109 B11R1.15 CC1=CC=C(O1)C(C)CC=O CNP0108056.0 [0,2,0,0,0,0|1,0,0]=3 110 B11R1.77 CC(=O)CC(=O)C1=CC=CO1 CNP0334244.0 [0,2,0,0,0,0|1,0,1]=4 111 B11R1.75 CC(=CCC1=CC(=CO1)C)C CNP0186126.0 [0,2,0,0,0,0|2,0,0]=4 112 B11R1.75 CC(=O)OC[C@@H]1C=CC(=O)O1 CNP0406900.1 [0,2,0,0,0,0|0,1,1]=4 113 B11R1.75 O=C(O)CCN1C=CC(=O)O1 CNP0135411.0 [0,2,0,0,0,0|2,0,0]=4 114 B11R1.25 CCC(=O)CCC1=CC=CO1 CNP0542215.0 [0,2,0,0,0,0|1,0,0]=3 115 B11R1.25 CCC(=O)OCC1=CC=CO1 CNP0002784.0 [0,2,0,0,0,0|0,1,0]=3 116 B11R1.25 CCC(=O)SCC1=CC=CO1 CNP0002780.0 [0,2,0,0,0,0|0,0,0]=2 117 B11R1.25 COC(=O)C=CC1=CC=CO1 CNP0003236.0 [0,2,0,0,0,0|1,0,1]=4 118 B11R1.172 CC(=O)CCCC1=CC=CO1 CNP0518396.0 [0,2,0,0,0,0|1,0,0]=3 119 B11R1.172 O=C(O)CCCC1=CC=CS1 CNP0560045.0 [0,2,0,0,0,0|1,1,0]=4 120 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O CNP0037775.1 [0,2,0,0,0,0|1,1,0]=4 121 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O CNP0037775.2 [0,2,0,0,0,0|1,1,0]=4 122 B11R1.84 CCC(=CC1=CC=CO1)C=O CNP0002698.0 [0,2,0,0,0,0|1,0,1]=4 123 B11R1.90 C=C(C)CCC1=C(C=CO1)C CNP0194352.0 [0,2,0,0,0,0|2,0,0]=4 124 B11R1.90 CC(=CCC1=C(C=CO1)C)C CNP0224893.0 [0,2,0,0,0,0|2,0,0]=4 125 B9R1.2 O=CC1=CC=CC(=C1)O CNP0106037.0 [0,0,1,1,0,0|1,0,1]=4 126 B9R1.22 C=C1C=C(OC1C=O)O CNP0484553.0 [0,0,1,1,0,0|2,0,0]=4 127 B9R1.5 O=C1C=CC=CC=C1O CNP0148494.0 [0,0,1,1,0,0|1,0,1]=4 128 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [0,0,0,1,0,1|2,0,0]=4 129 B11R2.1 O=C1NCC2=CC=CC=C12 CNP0611634.0 [0,0,0,1,0,1|2,0,0]=4 130 B11R2.1 O=C1OCC2=CC=CC=C12 CNP0263138.0 [0,0,0,1,0,1|1,1,0]=4 131 B11R2.66 O=C1CCC2=C1C=C(S2)Cl CNP0193602.0 [0,1,0,1,0,0|1,1,0]=4 132 B11R2.8 O=C1C2=C(C[C@@H]1Br)SC=C2 CNP0063440.2 [0,1,0,1,0,0|1,1,0]=4 133 B11R2.8 O=C1C2=C(C[C@H]1Br)SC=C2 CNP0063440.1 [0,1,0,1,0,0|1,1,0]=4