0 B11R0.62 CCOC(=O)C=CC(=O)OCC CNP0127859.0 [0,0,0,0,0,0|0,0,2]=2 1 B11R0.62 CCOC(=O)CCC(=O)OCC CNP0115480.0 [0,0,0,0,0,0|0,0,0]=0 2 B10R0.1 CCC=CCCC(=O)OCC CNP0128665.0 [1,0,0,0,0,0|1,0,0]=2 3 B10R0.1 CCCCCCC(=O)OCC CNP0228643.0 [1,0,0,0,0,0|1,0,1]=3 4 B10R0.1 CCOC(=O)CCCCSC CNP0264286.0 [1,0,0,0,0,0|2,0,1]=4 5 B10R0.108 C=C(CCBr)CCC(=O)OC CNP0344449.0 [1,0,0,0,0,0|3,0,0]=4 6 B10R0.108 CCOC(=O)CCC(=O)C=O CNP0237833.0 [1,0,0,0,0,0|1,0,1]=3 7 B10R0.108 CCOC(=O)CNC(=O)CN CNP0593562.0 [1,0,0,0,0,0|2,0,0]=3 8 B12R0.69 C=C(CC(=O)OCC)C(=O)OCC CNP0201560.0 [0,1,0,0,0,0|0,0,1]=2 9 B12R0.69 CCOC(=O)C[C@@H](O)C(=O)OCC CNP0137916.1 [0,1,0,0,0,0|0,0,0]=1 10 B12R0.69 CCOC(=O)C[C@H](O)C(=O)OCC CNP0137916.2 [0,1,0,0,0,0|0,0,0]=1 11 B12R0.101 CCCC[C@@H](C)CCC(=O)OCC CNP0177367.1 [0,1,0,0,0,0|2,0,1]=4 12 B12R0.101 CCCNC(=O)NNC(=O)OCC CNP0027764.0 [0,1,0,0,0,0|3,0,0]=4 13 B12R1.17 CCOC(=O)[C@@H]1CCCN(C1)C CNP0189022.1 [0,0,0,1,0,0|3,0,0]=4 14 B12R1.17 CCOC(=O)[C@H]1CCCN(C1)C CNP0189022.2 [0,0,0,1,0,0|3,0,0]=4 15 B12R1.51 CCOC(=O)CCC1=CC=CO1 CNP0003158.0 [0,0,0,1,0,0|1,0,2]=4 16 B12R1.318 CCCC(=O)N[C@H]1CCOC1=O CNP0186467.1 [0,0,0,1,0,0|2,0,0]=3 17 B10R0.2 CCCC(=O)CC(=O)OCC CNP0003512.0 [0,0,0,0,1,0|1,0,0]=2 18 B10R0.2 CCCC(=O)OC(=O)CCC CNP0001510.0 [0,0,0,0,1,0|3,0,0]=4 19 B10R0.2 CCCC(O)CC(=O)OCC CNP0256152.0 [0,0,0,0,1,0|1,0,2]=4 20 B10R0.2 CCOC(=O)CC(=O)OCC CNP0079918.0 [0,0,0,0,1,0|0,0,0]=1 21 B10R0.2 CCOC(=O)OC(=O)OCC CNP0003163.0 [0,0,0,0,1,0|1,0,0]=2 22 B12R0.285 CCC=C(C)CCOC(=O)CCC CNP0575322.0 [0,0,0,0,0,1|3,0,0]=4 23 B12R0.285 CCCC(=O)OCOC(=O)CCC CNP0154947.0 [0,0,0,0,0,1|3,0,0]=4 24 B12R0.285 CCOC(=O)CCCC(=O)OCC CNP0480241.0 [0,0,0,0,0,1|0,0,0]=1 25 B9R0.5 CC=CCCC(=O)CCC CNP0280412.0 [2,0,0,0,0,0|1,0,1]=4 26 B9R0.5 CCC=CCC(=O)OCC CNP0055106.0 [2,0,0,0,0,0|0,0,1]=3 27 B9R0.5 CCCC=CC(=O)OCC CNP0003275.0 [2,0,0,0,0,0|1,0,1]=4 28 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [2,0,0,0,0,0|1,0,1]=4 29 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [2,0,0,0,0,0|0,0,1]=3 30 B9R0.5 CCOC(=O)CCCSC CNP0002800.0 [2,0,0,0,0,0|0,1,1]=4 31 B9R0.46 CCC=CCCC(=O)OC CNP0175025.0 [2,0,0,0,0,0|1,0,0]=3 32 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [2,0,0,0,0,0|1,0,1]=4 33 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [2,0,0,0,0,0|1,0,1]=4 34 B9R0.24 CCC(=O)CCC(=O)CC CNP0280257.0 [2,0,0,0,0,0|0,0,0]=2 35 B9R0.24 CCC(=O)CC[C@@H](C)CC CNP0210465.2 [2,0,0,0,0,0|1,0,1]=4 36 B9R0.24 CCC(=O)CC[C@H](C)CC CNP0210465.1 [2,0,0,0,0,0|1,0,1]=4 37 B9R0.24 CCC(C)CCC(=O)OC CNP0076942.0 [2,0,0,0,0,0|1,0,1]=4 38 B9R0.24 COC(=O)C#CC(=O)OC CNP0341643.0 [2,0,0,0,0,0|0,0,2]=4 39 B9R0.24 COC(=O)C=CC(=O)OC CNP0328522.0 [2,0,0,0,0,0|0,0,2]=4 40 B9R0.24 COC(=O)CCC(=O)CN CNP0363549.0 [2,0,0,0,0,0|1,0,0]=3 41 B9R0.24 COC(=O)CCC(=O)CO CNP0195106.0 [2,0,0,0,0,0|1,0,0]=3 42 B9R0.24 COC(=O)CCC(=O)OC CNP0301716.0 [2,0,0,0,0,0|0,0,0]=2 43 B9R0.24 COC(=O)NNC(=O)OC CNP0145555.0 [2,0,0,0,0,0|2,0,0]=4 44 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [2,0,0,0,0,0|1,0,0]=3 45 B9R0.48 CCCC(=O)COC(=O)C CNP0598796.0 [2,0,0,0,0,0|2,0,0]=4 46 B9R0.48 CCCC(=O)NCC(=O)O CNP0083880.0 [2,0,0,0,0,0|2,0,0]=4 47 B9R0.48 CCOC(=O)C=CC(=O)O CNP0272269.0 [2,0,0,0,0,0|0,0,2]=4 48 B9R0.48 CCOC(=O)CCC(=O)C CNP0002491.0 [2,0,0,0,0,0|0,0,0]=2 49 B9R0.48 CCOC(=O)CCC(=O)N CNP0277152.0 [2,0,0,0,0,0|1,0,0]=3 50 B9R0.48 CCOC(=O)CCC(=O)O CNP0186824.0 [2,0,0,0,0,0|0,0,0]=2 51 B9R0.48 CCOC(=O)CCC(C)C CNP0084329.0 [2,0,0,0,0,0|1,0,1]=4 52 B9R0.48 CCOC(=O)CC[N+](=O)[O-] CNP0530407.0 [2,0,0,0,0,0|1,0,1]=4 53 B9R0.48 CCOC(=O)CC[S@+](C)[O-] CNP0541212.1 [2,0,0,0,0,0|1,0,1]=4 54 B9R0.48 CCSC(=O)CNC(=O)C CNP0507251.0 [2,0,0,0,0,0|1,1,0]=4 55 B9R0.48 NCNC(=O)CCC(=O)O CNP0599954.0 [2,0,0,0,0,0|2,0,0]=4 56 B11R0.4 C=CCC=CCCC(=O)OCC CNP0209435.0 [1,1,0,0,0,0|1,0,1]=4 57 B11R0.4 CCC=CCCOC(=O)CCC CNP0286866.0 [1,1,0,0,0,0|2,0,0]=4 58 B11R0.4 CCCC=CCCC(=O)OCC CNP0257239.0 [1,1,0,0,0,0|1,0,0]=3 59 B11R0.4 CCCCC=CCC(=O)OCC CNP0229476.0 [1,1,0,0,0,0|1,0,1]=4 60 B11R0.4 CCCCCCCC(=O)OCC CNP0311189.0 [1,1,0,0,0,0|1,0,1]=4 61 B11R0.81 CCCCCCC(=O)OCCC CNP0320924.0 [1,1,0,0,0,0|1,0,1]=4 62 B11R0.176 CCOC(=O)CCCCC(C)C CNP0312915.0 [1,1,0,0,0,0|1,0,1]=4 63 B11R0.176 CCOC(=O)CCCC[C@H](C)O CNP0017820.1 [1,1,0,0,0,0|1,0,1]=4 64 B11R0.9 CCOC(=O)CCC(OC)OC CNP0278348.0 [1,1,0,0,0,0|0,0,2]=4 65 B11R0.43 CCOC(=O)C(=O)CC(=O)CC CNP0113615.0 [1,1,0,0,0,0|0,0,1]=3 66 B11R0.70 CCCCC(=O)CCC(=O)OC CNP0612026.0 [1,1,0,0,0,0|1,0,0]=3 67 B11R0.107 COC(=O)CCC(=O)CC(=O)C CNP0305846.0 [1,1,0,0,0,0|1,0,1]=4 68 B11R0.187 C=C(CO)[C@@H](O)CC(=O)OCC CNP0227038.1 [1,1,0,0,0,0|2,0,0]=4 69 B11R0.187 C=C(CO)[C@H](O)CC(=O)OCC CNP0227038.2 [1,1,0,0,0,0|2,0,0]=4 70 B11R0.187 CC/C=C(\C)/C[C@@H](C)C(=O)CC CNP0266511.1 [1,1,0,0,0,0|2,0,0]=4 71 B11R0.187 CCOC(=O)CC(O)C(=O)OC CNP0340722.0 [1,1,0,0,0,0|0,0,0]=2 72 B11R0.177 CCOC(=O)C(O)C(=O)OCC CNP0135851.0 [0,1,0,0,1,0|0,0,0]=2 73 B13R0.18 CCOC(=O)CCC(=O)C(=O)OCC CNP0292520.0 [0,1,0,0,0,1|0,0,0]=2 74 B13R0.18 CCOC(=O)CCC(O)C(=O)OCC CNP0001513.0 [0,1,0,0,0,1|0,0,0]=2 75 B13R0.89 CCOC(=O)C=C(C)CC(=O)OCC CNP0197388.0 [0,1,0,0,0,1|0,0,1]=3 76 B13R0.89 CCOC(=O)CC(N)CC(=O)OCC CNP0208570.0 [0,1,0,0,0,1|0,0,0]=2 77 B13R0.674 CCOC(=O)[C@H](O)[C@@H](O)C(=O)OCC CNP0221471.1 [0,2,0,0,0,0|0,0,0]=2 78 B13R0.193 CCCCCC(=O)CCC(=O)OCC CNP0017938.0 [0,2,0,0,0,0|1,0,0]=3 79 B13R0.27 CCOC(=O)CNC(=O)OC(C)(C)C CNP0134504.0 [0,2,0,0,0,0|1,0,0]=3 80 B13R0.76 CC(C)OC(=O)C=CC(=O)OC(C)C CNP0609766.0 [0,2,0,0,0,0|0,0,2]=4 81 B11R1.16 CCOC(=O)C1CCCCC1 CNP0408576.0 [1,0,0,1,0,0|1,0,1]=4 82 B11R1.81 CCCC1=C(OC(=O)CC1)C CNP0474826.0 [1,0,0,1,0,0|1,0,1]=4 83 B11R1.180 CCCCCC1CCOC1=O CNP0186949.0 [1,0,0,1,0,0|1,0,1]=4 84 B11R1.15 CCOC(=O)C1CCC(=O)O1 CNP0001512.0 [1,0,0,1,0,0|1,0,0]=3 85 B11R1.15 CCOC(=O)[C@@H]1CCC(=N1)O CNP0524043.1 [1,0,0,1,0,0|1,0,1]=4 86 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 CNP0367585.2 [1,0,0,1,0,0|1,0,0]=3 87 B11R1.15 CCOC(=O)[C@H]1CCC(=N1)O CNP0524043.2 [1,0,0,1,0,0|1,0,1]=4 88 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 CNP0367585.1 [1,0,0,1,0,0|1,0,0]=3 89 B11R1.15 O=C1C[C@@H](CO1)C(=O)CCO CNP0159390.1 [1,0,0,1,0,0|2,0,0]=4 90 B11R1.23 COC(=O)C1=CC(=O)OCC1 CNP0435092.0 [1,0,0,1,0,0|0,0,2]=4 91 B11R1.23 COC(=O)[C@H]1CCCC(=O)N1 CNP0329486.1 [1,0,0,1,0,0|2,0,0]=4 92 B11R1.228 CCC(=O)N[C@H]1CCSC1=O CNP0531335.1 [1,0,0,1,0,0|1,1,0]=4 93 B13R1.1515 CCOC(=O)[C@H]1N[C@H]1C(=O)OCC CNP0162404.1 [0,0,0,1,0,1|0,0,0]=2 94 B13R1.282 CC(O)CC(=O)N[C@H]1CCOC1=O CNP0604327.1 [0,1,0,1,0,0|2,0,0]=4 95 B9R0.34 CCOC(=O)C[C@@H](O)CC CNP0017829.1 [1,0,0,0,1,0|0,0,2]=4 96 B9R0.34 CCOC(=O)C[C@H](C)CC CNP0112934.1 [1,0,0,0,1,0|1,0,1]=4 97 B9R0.35 CCC=C(C)C(=O)OCC CNP0154719.0 [0,0,0,0,2,0|2,0,0]=4 98 B9R0.35 CCCC(=O)C(=O)CCC CNP0333081.0 [0,0,0,0,2,0|2,0,0]=4 99 B9R0.35 CCOC(=O)C(=O)OCC CNP0247070.0 [0,0,0,0,2,0|0,0,0]=2 100 B13R0.367 CCOC(=O)CCCCC(=O)OCC CNP0031190.0 [0,0,0,0,0,2|0,0,0]=2 101 B13R0.367 CCOC(=O)NC=CNC(=O)OCC CNP0280714.0 [0,0,0,0,0,2|0,0,2]=4