0 B12R1.128 CC(C)(C)C1=CC(=CC=C1O)O CNP0392762.0 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.128 CC(C)(C)C1=CC(=O)C=CC1=O CNP0207728.0 [0,0,0,0,0,0|0,0,2]=2 2 B12R1.128 CC1=CC=C(C(=N1)C(C)(C)C)O CNP0040970.0 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.128 O=S(=O)(O)C1=CC(=CC=C1O)O CNP0449853.0 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.87 CC(C)(C)C1=CC=CC=C1O CNP0079851.0 [1,0,0,0,0,0|0,0,0]=1 5 B11R1.87 CC(C)(C)C1=NC=CC=C1O CNP0517568.0 [1,0,0,0,0,0|1,0,0]=2 6 B11R1.87 C[P@@](=O)(O)C1=CC=CC=C1O CNP0454510.1 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.155 CC(C)(C)C1=CC=CC(=C1)O CNP0077275.0 [1,0,0,0,0,0|0,0,0]=1 8 B11R1.155 CC1=CC=CC(=C1)C(C)(C)C CNP0123429.0 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.155 CC1=CC=CC(=C1)C(C)(C)O CNP0612226.0 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.155 CC1=CC=CC(=C1)[N+](C)(C)C CNP0546596.0 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.167 CC(=O)C1=CC(=CC=C1N)O CNP0207419.0 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.167 CC(=O)C1=CC(=CC=C1O)C CNP0189333.0 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.167 CC(=O)C1=CC(=CC=C1O)O CNP0226762.0 [1,0,0,0,0,0|1,0,1]=3 14 B11R1.167 CC1=CC=C(C(=C1)C(C)C)C CNP0319974.0 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.167 CC1=CC=C(C(=C1)C(C)C)O CNP0297378.0 [1,0,0,0,0,0|1,0,0]=2 16 B11R1.167 O=C(O)C1=CC(=CC=C1O)O CNP0187458.0 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.167 O=[N+]([O-])C1=CC(=CC=C1O)O CNP0527393.0 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.167 OC1=CC=C(C(=C1)C(O)Cl)O CNP0519910.0 [1,0,0,0,0,0|2,0,0]=3 19 B13R1.98 COC1=CC=C(C(=C1)C(C)(C)C)O CNP0141704.0 [0,1,0,0,0,0|0,0,0]=1 20 B13R1.877 CC1=CC(=C(C=C1C(C)(C)C)O)O CNP0518433.0 [0,1,0,0,0,0|1,0,0]=2 21 B13R1.2815 CC1=CC(=C(C(=C1)C(C)(C)C)O)O CNP0082713.0 [0,1,0,0,0,0|1,0,0]=2 22 B13R1.3090 COC1=CC=C(C=C1C(C)(C)C)O CNP0415874.0 [0,1,0,0,0,0|0,0,0]=1 23 B11R0.34 CC(C)(C)OC(=O)C=CC(=O)O CNP0438719.0 [0,0,1,0,0,0|2,0,1]=4 24 B11R1.646 CC1=CC(=C(O1)C(C)(C)C)C CNP0345134.0 [0,0,0,0,1,0|3,0,0]=4 25 B13R1.894 CC(C)(C)CC1=CC(=CC=C1O)O CNP0410395.0 [0,0,0,0,0,1|0,0,0]=1 26 B10R0.162 CC(C)C(=CC(=O)O)C(=O)O CNP0194846.0 [1,0,1,0,0,0|2,0,0]=4 27 B10R1.28 CC(C)(C)C1=CC=CC=C1 CNP0125248.0 [2,0,0,0,0,0|0,0,0]=2 28 B10R1.28 CC(C)(C)C1=CC=CCC1 CNP0063000.0 [2,0,0,0,0,0|0,0,2]=4 29 B10R1.28 CC(C)(O)C1=CC=CC=C1 CNP0423296.0 [2,0,0,0,0,0|1,0,0]=3 30 B10R1.28 C[N+](C)([O-])C1=CC=CC=C1 CNP0569475.0 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [2,0,0,0,0,0|1,0,1]=4 32 B10R1.61 CC(C)C1=CC=CC=C1O CNP0332801.0 [2,0,0,0,0,0|0,0,0]=2 33 B10R1.61 CC(S)C1=CC=CC=C1S CNP0245318.0 [2,0,0,0,0,0|1,1,0]=4 34 B10R1.61 CC1=CC=CC=C1C(C)C CNP0093801.0 [2,0,0,0,0,0|1,0,0]=3 35 B10R1.61 CN(C)C1=CC=CC=C1O CNP0396984.0 [2,0,0,0,0,0|1,0,0]=3 36 B10R1.113 CC(=O)C1=CC=CC(=C1)O CNP0108325.0 [2,0,0,0,0,0|1,0,1]=4 37 B10R1.113 CC(C)C1=CC(=O)OC=C1 CNP0193118.0 [2,0,0,0,0,0|1,0,1]=4 38 B10R1.113 CC(C)C1=CC=CC(=C1)O CNP0246144.0 [2,0,0,0,0,0|0,0,0]=2 39 B10R1.113 CC(O)C1=CC=CC(=C1)O CNP0171685.0 [2,0,0,0,0,0|1,0,0]=3 40 B10R1.113 CC1=CC(=CC=N1)C(C)C CNP0586055.0 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.113 CC1=CC=CC(=C1)C(C)C CNP0151774.0 [2,0,0,0,0,0|1,0,0]=3 42 B10R1.113 CC1=CC=CC(=C1)N(C)C CNP0030877.0 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.113 CC1=CC=NC(=C1)C(C)C CNP0555146.0 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.113 CN(C)C1=CC=CC(=C1)Cl CNP0339431.0 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.113 C[C@H](O)C1=CC=CC(=C1)O CNP0171685.1 [2,0,0,0,0,0|1,0,0]=3 46 B10R1.30 CCC1=CC(=CC=C1C)C CNP0220953.0 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.30 CCC1=CC(=CC=C1C)O CNP0305920.0 [2,0,0,0,0,0|1,0,0]=3 48 B10R1.30 CCC1=CC(=CC=C1O)C CNP0329742.0 [2,0,0,0,0,0|1,0,0]=3 49 B10R1.30 CCC1=CC(=CC=C1O)O CNP0246876.0 [2,0,0,0,0,0|0,0,0]=2 50 B10R1.30 CCC1=CC(=O)C=CC1=O CNP0391524.0 [2,0,0,0,0,0|0,0,2]=4 51 B10R1.30 CCC1=NC(=CC=C1O)C CNP0422716.0 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.30 COC1=CC(=CC=C1N)O CNP0304667.0 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.30 COC1=CC(=CC=C1O)C CNP0264266.0 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.30 COC1=CC(=CC=C1O)O CNP0204166.0 [2,0,0,0,0,0|1,0,0]=3 55 B10R1.30 N#CC1=CC(=CC=C1O)O CNP0284631.0 [2,0,0,0,0,0|1,0,1]=4 56 B10R1.30 O=CC1=CC(=CC=C1O)O CNP0326066.0 [2,0,0,0,0,0|1,0,1]=4 57 B10R1.30 OCC1=CC(=CC=C1Cl)O CNP0112835.0 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.30 OCC1=CC(=CC=C1O)O CNP0290995.0 [2,0,0,0,0,0|1,0,0]=3 59 B12R1.76 COC1=CC=CC=C1C(C)(C)O CNP0497584.0 [1,1,0,0,0,0|1,0,0]=3 60 B12R1.126 CC1=CC=C(C(=C1)O)C(C)(C)C CNP0173144.0 [1,1,0,0,0,0|0,0,0]=2 61 B12R1.126 CC1=CC=C(C(=C1)O)C(C)(C)O CNP0116220.0 [1,1,0,0,0,0|1,0,0]=3 62 B12R1.1010 CC1=CC=CC(=C1C(C)(C)C)O CNP0563011.0 [1,1,0,0,0,0|0,0,0]=2 63 B12R1.10 CC[N+](C)(C)C1=CC=CC(=C1)O CNP0541877.0 [1,1,0,0,0,0|1,0,0]=3 64 B12R1.10 CC[N+](C)(C)C1=CC=CC(=C1)O CNP0548515.0 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.10 CC[N+](C)(C)C1=CC=CC(=C1)[O-] CNP0515842.0 [1,1,0,0,0,0|1,0,1]=4 66 B12R1.10 CC[N+](C)(C)C1=CC=CC(=C1)[O-] CNP0546361.0 [1,1,0,0,0,0|1,0,1]=4 67 B12R1.23 CC(C)(C)C1=CC=C(C(=C1)O)O CNP0201724.0 [1,1,0,0,0,0|0,0,0]=2 68 B12R1.23 CC1=CC(=CC=C1O)C(C)(C)C CNP0379795.0 [1,1,0,0,0,0|1,0,0]=3 69 B12R1.23 CC1=CC(=CC=C1S)C(C)(C)C CNP0480587.0 [1,1,0,0,0,0|1,0,0]=3 70 B12R1.23 CC1=CC=C(C=C1O)C(C)(C)O CNP0181250.0 [1,1,0,0,0,0|1,0,0]=3 71 B12R1.46 COC1=CC=C(C=C1C(C)C)C CNP0102635.0 [1,1,0,0,0,0|1,0,0]=3 72 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)O CNP0136455.0 [1,1,0,0,0,0|1,0,1]=4 73 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)O CNP0243066.0 [1,1,0,0,0,0|1,0,1]=4 74 B12R1.232 CC1=CC(=C(C=C1C)C(C)C)C CNP0164128.0 [1,1,0,0,0,0|2,0,0]=4 75 B12R1.232 CC1=CC(=C(C=C1O)C(C)C)O CNP0224526.0 [1,1,0,0,0,0|0,0,0]=2 76 B12R1.232 CC1=CC(=O)C(=CC1=O)C(C)C CNP0158912.0 [1,1,0,0,0,0|0,0,2]=4 77 B12R1.354 CC(=NO)C1=CC(=CC=C1O)O CNP0327949.0 [1,1,0,0,0,0|1,0,1]=4 78 B12R1.354 CC1=CC=C(C(=C1)C(C)CO)O CNP0507522.0 [1,1,0,0,0,0|1,0,0]=3 79 B12R1.354 CC[C@@H](O)C1=CC(=CC=C1O)C CNP0224091.1 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.354 CC[C@H](O)C1=CC(=CC=C1O)C CNP0224091.2 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.354 CN(N=O)C1=CC(=CC=C1O)O CNP0074187.0 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.354 COC(=O)C1=CC(=CC=C1O)O CNP0221274.0 [1,1,0,0,0,0|1,0,1]=4 83 B12R1.453 COC1=CC=C(C(=C1)C(=O)C)O CNP0250088.0 [1,1,0,0,0,0|1,0,1]=4 84 B12R1.894 C=C(C)C1=C(C=CC(=C1C)O)O CNP0482771.0 [1,1,0,0,0,0|0,0,2]=4 85 B12R1.894 CC1=C(C=CC(=C1C(C)C)O)O CNP0551899.0 [1,1,0,0,0,0|0,0,0]=2 86 B12R1.894 CC1=C(C=CC(=C1C(C)O)O)O CNP0125535.0 [1,1,0,0,0,0|1,0,0]=3 87 B14R1.3720 CCC1=CC=C(C=C1C(C)(C)C)C#N CNP0344518.0 [0,2,0,0,0,0|2,0,0]=4 88 B14R1.3720 COC1=CC=C(C(=C1)C(C)(C)C)OC CNP0538934.0 [0,2,0,0,0,0|0,0,0]=2 89 B14R1.361 CC1=CC(=C(C(=N1)C(C)(C)C)O)CBr CNP0553084.0 [0,2,0,0,0,0|2,0,0]=4 90 B12R2.1095 C[C@@]1(CC2=CC=CC(=C12)Br)O CNP0062135.2 [1,0,0,1,0,0|2,0,0]=4 91 B12R2.1095 C[C@@]1(CC2=CC=CC(=C12)Cl)O CNP0054451.1 [1,0,0,1,0,0|2,0,0]=4 92 B12R2.1095 C[C@]1(CC2=CC=CC(=C12)Br)O CNP0062135.1 [1,0,0,1,0,0|2,0,0]=4 93 B12R2.1095 C[C@]1(CC2=CC=CC(=C12)Cl)O CNP0054451.2 [1,0,0,1,0,0|2,0,0]=4 94 B12R2.2403 CC1(C=CC2=CC=CC=C12)C CNP0024865.0 [1,0,0,1,0,0|1,0,1]=4 95 B12R2.2403 CC1(C=NC2=CC=CC=C12)C CNP0037740.0 [1,0,0,1,0,0|1,0,1]=4 96 B12R2.2403 CC1(CNC2=CC=CC=C12)C CNP0335282.0 [1,0,0,1,0,0|1,0,0]=3 97 B12R2.132 C[C@H]1CCC2=CC=C(C=C12)O CNP0247617.1 [1,0,0,1,0,0|1,0,0]=3 98 B12R2.132 O=C1COC2=CC=C(C=C12)O CNP0168548.0 [1,0,0,1,0,0|1,0,1]=4 99 B14R2.4491 CC1(C=CC2=CC=C(C=C2O1)O)C CNP0524923.0 [0,0,0,1,0,1|1,0,1]=4 100 B14R2.8333 CC1=CC2=C(C=C1C)C(CC2)(C)C CNP0563242.0 [0,1,0,1,0,0|2,0,0]=4 101 B14R2.8333 C[N+]1(CCC2=CC(=C(C=C12)O)O)C CNP0506110.0 [0,1,0,1,0,0|2,0,0]=4 102 B12R1.127 CC(=O)NC1=CC(=CC=C1O)O CNP0134433.0 [1,0,0,0,0,1|1,0,1]=4 103 B14R1.6073 CC(C)(O)C=CC1=CC(=CC=C1O)O CNP0236364.0 [0,0,0,0,0,2|1,0,0]=3 104 B14R1.6073 CC1=CC=C(C(=C1)C=CC(C)(C)O)O CNP0000061.0 [0,0,0,0,0,2|2,0,0]=4 105 B14R1.6073 CC1=CC=C(C(=C1)CCC(C)(C)O)O CNP0001239.0 [0,0,0,0,0,2|2,0,0]=4