0 B10R1.66 CC(=O)C=CC1=CC=CO1 CNP0253881.0 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.66 CC(=O)OCC1=CC=CO1 CNP0413526.0 [0,0,0,0,0,0|1,1,1]=3 2 B10R1.66 CC(=O)SCC1=CC=CO1 CNP0018548.0 [0,0,0,0,0,0|1,0,1]=2 3 B10R1.66 CC(C)CCC1=CCCC1 CNP0084867.0 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.66 CC(C)CCC1=COC=C1 CNP0161976.0 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.66 CC(C)SCC1=CC=CO1 CNP0002931.0 [0,0,0,0,0,0|0,0,0]=0 6 B10R1.66 CN(C)CCC1=CN=CN1 CNP0107376.0 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.66 CN(C)CCC1=CNC=N1 CNP0604899.0 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.12 CCCCC1=CC=CO1 CNP0200391.0 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.12 CCCCC1=CN=CO1 CNP0072036.0 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.12 CCCCC1=COC=N1 CNP0003922.0 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.12 CCCCC1=CSC=C1 CNP0227765.0 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.12 CCCCN1C=CC=C1 CNP0209337.0 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.12 CCOCC1=CC=CO1 CNP0002487.0 [1,0,0,0,0,0|0,1,0]=2 14 B9R1.12 CCSCC1=CC=CO1 CNP0025241.0 [1,0,0,0,0,0|0,0,0]=1 15 B9R1.12 CSSCC1=CC=CO1 CNP0002883.0 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.12 O=CNCC1=CC=CO1 CNP0029329.0 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.12 O=COCC1=CC=CO1 CNP0574943.0 [1,0,0,0,0,0|1,1,1]=4 18 B9R1.12 O=CSCC1=CC=CO1 CNP0002781.0 [1,0,0,0,0,0|1,0,1]=3 19 B11R1.25 CCC(=O)CCC1=CC=CO1 CNP0542215.0 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.25 CCC(=O)OCC1=CC=CO1 CNP0002784.0 [0,1,0,0,0,0|1,1,1]=4 21 B11R1.25 CCC(=O)SCC1=CC=CO1 CNP0002780.0 [0,1,0,0,0,0|1,0,1]=3 22 B11R1.25 CCC(C)SSC1=NC=CN1 CNP0583370.0 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.75 CC(=CCC1=CC(=CO1)C)C CNP0186126.0 [0,1,0,0,0,0|1,0,1]=3 24 B11R1.90 C=C(C)CCC1=C(C=CO1)C CNP0194352.0 [0,1,0,0,0,0|1,0,2]=4 25 B11R1.90 CC(=CCC1=C(C=CO1)C)C CNP0224893.0 [0,1,0,0,0,0|1,0,1]=3 26 B11R1.90 CC(=CCC1=C(C=CS1)C)C CNP0298862.0 [0,1,0,0,0,0|1,1,1]=4 27 B9R1.13 CC(=O)CC1=CC=CO1 CNP0006332.0 [0,0,0,0,1,0|1,0,1]=3 28 B9R1.13 CC(=O)OC1=CC=CO1 CNP0343204.0 [0,0,0,0,1,0|1,1,1]=4 29 B9R1.13 CC(C)CC1=CC=CS1 CNP0326007.0 [0,0,0,0,1,0|0,1,0]=2 30 B9R1.13 CC(C)CC1=CCCC1 CNP0610558.0 [0,0,0,0,1,0|1,0,2]=4 31 B9R1.13 CC(C)CC1=NC=CS1 CNP0300517.0 [0,0,0,0,1,0|1,1,0]=3 32 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [0,0,0,0,0,1|2,0,1]=4 33 B11R1.91 CC(C)CCC1=CC=CC=C1 CNP0088598.0 [0,0,0,0,0,1|2,0,0]=3 34 B11R1.91 CC(C)CCC1=CN=CC=N1 CNP0076480.0 [0,0,0,0,0,1|2,0,0]=3 35 B11R1.91 CN(C)CCC1=CC=CC=C1 CNP0261348.0 [0,0,0,0,0,1|3,0,0]=4 36 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 CNP0154609.1 [0,0,0,0,0,1|3,0,0]=4 37 B11R1.172 CC(=O)CCCC1=CC=CO1 CNP0518396.0 [0,0,0,0,0,1|2,0,1]=4 38 B11R1.172 CC(C)CN=CC1=CC=CO1 CNP0435049.0 [0,0,0,0,0,1|1,0,1]=3 39 B8R1.8 C=CCC1=CC=CO1 CNP0320251.0 [2,0,0,0,0,0|0,0,2]=4 40 B8R1.8 CC=CC1=CC=CO1 CNP0546810.0 [2,0,0,0,0,0|0,0,2]=4 41 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [2,0,0,0,0,0|0,0,0]=2 42 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [2,0,0,0,0,0|0,1,0]=3 43 B8R1.8 CCCN1C=CC=C1 CNP0269776.0 [2,0,0,0,0,0|2,0,0]=4 44 B8R1.8 COCC1=CC=CO1 CNP0352777.0 [2,0,0,0,0,0|0,1,0]=3 45 B8R1.8 CSCC1=CC=CO1 CNP0210832.0 [2,0,0,0,0,0|0,0,0]=2 46 B8R1.8 CSSC1=CC=CS1 CNP0077836.0 [2,0,0,0,0,0|1,1,0]=4 47 B8R1.8 O=CCC1=CC=CO1 CNP0576959.0 [2,0,0,0,0,0|1,0,1]=4 48 B8R1.8 OCCC1=CC=CS1 CNP0577450.0 [2,0,0,0,0,0|1,1,0]=4 49 B10R1.11 CCCC(=O)C1=CC=CO1 CNP0102871.0 [1,1,0,0,0,0|1,0,1]=4 50 B10R1.11 CCOC(=O)C1=CC=CO1 CNP0247126.0 [1,1,0,0,0,0|0,1,1]=4 51 B10R1.16 CCCCC1=CC(=CO1)C CNP0574167.0 [1,1,0,0,0,0|1,0,0]=3 52 B10R1.21 CCC=CCC1=CC=CO1 CNP0453749.0 [1,1,0,0,0,0|1,0,0]=3 53 B10R1.21 CCCC=CC1=CC=CO1 CNP0062587.0 [1,1,0,0,0,0|1,0,1]=4 54 B10R1.21 CCCCCC1=CC=CO1 CNP0210535.0 [1,1,0,0,0,0|1,0,0]=3 55 B10R1.21 CCCCCC1=CC=CS1 CNP0094840.0 [1,1,0,0,0,0|1,1,0]=4 56 B10R1.21 CCCCCC1=CN=CO1 CNP0197497.0 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.21 CCCCCC1=NC=CO1 CNP0420572.0 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.27 CCC(=O)CC1=CC=CO1 CNP0611998.0 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.23 CC(C)C(=O)C1=CC=CO1 CNP0536429.0 [0,1,0,0,1,0|0,0,1]=3 60 B10R1.54 CC(=O)CC1=CC=C(O1)C CNP0609799.0 [0,1,0,0,1,0|1,0,1]=4 61 B10R1.64 CC(=O)CC1=C(C=CO1)C CNP0076562.0 [0,1,0,0,1,0|1,0,1]=4 62 B10R1.281 CC(C)(N)CC1=CN=CN1 CNP0176584.0 [0,1,0,0,1,0|2,0,0]=4 63 B10R1.281 C[N+](C)(C)CC1=CC=CO1 CNP0606756.0 [0,1,0,0,1,0|1,0,0]=3 64 B12R1.21 CC(C)CCC1=CC=C(C=C1)O CNP0417670.0 [0,1,0,0,0,1|2,0,0]=4 65 B12R1.27 CC[C@@H](C)CCC1=CC=CC=C1 CNP0095127.1 [0,1,0,0,0,1|2,0,0]=4 66 B12R1.125 CC(C)CCC1=CC=CC=C1O CNP0504507.0 [0,1,0,0,0,1|2,0,0]=4 67 B12R1.226 CC1=CN=CC(=N1)CCC(C)C CNP0287921.0 [0,1,0,0,0,1|2,0,0]=4 68 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 CNP0003336.0 [0,1,0,0,0,1|2,0,0]=4 69 B12R1.477 CCC(C)CN=CC1=CC=CO1 CNP0429593.0 [0,1,0,0,0,1|1,0,1]=4 70 B12R1.51 CCOC(=O)SCC1=CC=CO1 CNP0352515.0 [0,2,0,0,0,0|1,0,1]=4 71 B12R1.144 CC1=C(OC=C1)C(=O)CC(C)C CNP0309243.0 [0,2,0,0,0,0|1,0,1]=4 72 B10R1.61 CC(C)C1=CC=CC=C1O CNP0332801.0 [0,0,1,1,0,0|1,0,1]=4 73 B10R1.113 CC(C)C1=CC=CC(=C1)O CNP0246144.0 [0,0,1,1,0,0|1,0,1]=4 74 B12R2.132 CC1=COC2=C1CC(CC2)C CNP0577473.0 [0,1,0,1,0,0|1,0,0]=3 75 B8R0.5 C/C=C/[C@@H](O)CC(C)C CNP0115092.2 [0,0,1,0,1,0|0,0,2]=4 76 B8R0.5 C/C=C\[C@H](O)CC(C)C CNP0115092.1 [0,0,1,0,1,0|0,0,2]=4 77 B8R0.5 CC(=CC=O)CC(C)C CNP0364248.0 [0,0,1,0,1,0|2,0,0]=4 78 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [0,0,0,0,2,0|1,0,1]=4 79 B8R1.7 CC(=O)C1=CC=CO1 CNP0350272.0 [0,0,0,0,2,0|1,0,1]=4 80 B8R1.7 CC(C)C1=CC=CO1 CNP0319919.0 [0,0,0,0,2,0|0,0,0]=2 81 B8R1.7 CC(C)N1C=CC=C1 CNP0119007.0 [0,0,0,0,2,0|2,0,0]=4 82 B8R1.7 CC(O)C1=CC=CO1 CNP0421357.0 [0,0,0,0,2,0|1,0,0]=3 83 B8R1.7 CC(S)C1=CC=CO1 CNP0002637.0 [0,0,0,0,2,0|1,0,0]=3 84 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [1,0,0,0,0,1|2,0,0]=4 85 B10R1.17 CCCCC1=CC=CC=N1 CNP0514924.0 [1,0,0,0,0,1|2,0,0]=4 86 B10R1.17 CCCCC1=CC=CN=C1 CNP0003155.0 [1,0,0,0,0,1|2,0,0]=4 87 B10R1.17 CCCCC1=CC=NC=C1 CNP0498690.0 [1,0,0,0,0,1|2,0,0]=4 88 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [1,0,0,0,0,1|1,1,0]=4 89 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [1,0,0,0,0,1|1,0,0]=3 90 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [1,0,0,0,0,1|2,0,0]=4 91 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [1,0,0,0,0,1|2,0,0]=4 92 B12R1.255 CC(C)CCN=CC1=CC=CO1 CNP0434350.0 [0,0,0,0,0,2|1,0,0]=3