0 B12R0.239 CCC=CCC(O)CC(=O)OCC CNP0305123.0 [0,0,0,0,0,0|0,0,2]=2 1 B12R0.239 CCCCCC(C)OC(=O)CCC CNP0481243.0 [0,0,0,0,0,0|3,0,0]=3 2 B12R0.239 CCCCC[C@@H](O)CC(=O)OCC CNP0379134.1 [0,0,0,0,0,0|0,0,0]=0 3 B12R0.239 CCCCC[C@H](C)C[C@@H](C)CCC CNP0261462.1 [0,0,0,0,0,0|3,0,1]=4 4 B12R0.239 CCCCC[C@H](O)C[C@H](O)CCC CNP0127326.1 [0,0,0,0,0,0|1,0,2]=3 5 B12R0.239 CCCCOC(=O)CC(=O)OCC CNP0203043.0 [0,0,0,0,0,0|1,0,2]=3 6 B11R0.4 CC=CC(=O)OCCCCCC CNP0002922.0 [1,0,0,0,0,0|2,0,1]=4 7 B11R0.4 CCCC=CCCC(=O)OCC CNP0257239.0 [1,0,0,0,0,0|0,0,2]=3 8 B11R0.4 CCCCC=CCC(=O)OCC CNP0229476.0 [1,0,0,0,0,0|0,0,2]=3 9 B11R0.4 CCCCCC#CC(=O)OCC CNP0603684.0 [1,0,0,0,0,0|0,0,2]=3 10 B11R0.4 CCCCCC=CC(=O)OCC CNP0259768.0 [1,0,0,0,0,0|0,0,2]=3 11 B11R0.4 CCCCCCCC(=O)CCC CNP0224296.0 [1,0,0,0,0,0|1,0,0]=2 12 B11R0.4 CCCCCCCC(=O)OCC CNP0311189.0 [1,0,0,0,0,0|0,0,0]=1 13 B11R0.4 CCCCCCCC(C)CCC CNP0333661.0 [1,0,0,0,0,0|2,0,1]=4 14 B11R0.4 CCCCCCC[C@@H](O)CCC CNP0081402.1 [1,0,0,0,0,0|1,0,2]=4 15 B11R0.4 CCCCCCOC(=O)CCC CNP0153531.0 [1,0,0,0,0,0|2,0,0]=3 16 B11R0.4 CCCCCCO[C@H](C)OCC CNP0259643.1 [1,0,0,0,0,0|2,0,1]=4 17 B11R0.5 CCCCC(=CC(=O)OCC)Br CNP0310959.0 [1,0,0,0,0,0|1,0,2]=4 18 B11R0.5 CCCCC(C)OC(=O)CCC CNP0547746.0 [1,0,0,0,0,0|3,0,0]=4 19 B11R0.140 CCC=CCC(C)CCCCC CNP0529708.0 [1,0,0,0,0,0|2,0,0]=3 20 B11R0.140 CCCCCC(O)CCCCC CNP0194239.0 [1,0,0,0,0,0|1,0,1]=3 21 B11R0.154 CCCCCC(O)CC(O)CC CNP0502032.0 [1,0,0,0,0,0|0,0,2]=3 22 B11R0.154 CCCCC[C@@H](O)CC(=O)OC CNP0364637.1 [1,0,0,0,0,0|0,0,0]=1 23 B11R0.154 CCCCC[C@H](O)CC(=O)OC CNP0364637.2 [1,0,0,0,0,0|0,0,0]=1 24 B13R0.89 CCOC(=O)CC(N)CC(=O)OCC CNP0208570.0 [0,1,0,0,0,0|2,0,1]=4 25 B13R0.195 CCCCC[C@H](C)OC(=O)CCCC CNP0209752.1 [0,1,0,0,0,0|3,0,0]=4 26 B13R0.330 CCCCCCC(=CC(=O)OCC)Br CNP0225649.0 [0,1,0,0,0,0|1,0,2]=4 27 B13R0.330 CCCCCC[C@H](O)CC(=O)OCC CNP0291447.1 [0,1,0,0,0,0|0,0,0]=1 28 B13R0.1051 C=CC(CCCCC)OC(=O)CCC CNP0002812.0 [0,1,0,0,0,0|3,0,0]=4 29 B13R0.1051 CCCCCC(CC)OC(=O)CCC CNP0003265.0 [0,1,0,0,0,0|3,0,0]=4 30 B13R1.775 C[C@@H]1CCC/C=C/[C@@H](CC(=O)O1)O CNP0105808.2 [0,0,0,1,0,0|0,0,2]=3 31 B13R1.775 C[C@@H]1CCC/C=C/[C@H](CC(=O)O1)O CNP0105808.1 [0,0,0,1,0,0|0,0,2]=3 32 B13R1.775 C[C@@H]1CCCCC[C@@H](CC(=O)O1)O CNP0358124.2 [0,0,0,1,0,0|0,0,0]=1 33 B13R1.775 C[C@@H]1CCCCC[C@H](CC(=O)O1)O CNP0358124.1 [0,0,0,1,0,0|0,0,0]=1 34 B13R0.193 CCCCCC(=O)CCC(=O)OCC CNP0017938.0 [0,0,0,0,0,1|0,0,2]=3 35 B10R0.1 CCC=CCCC(=O)OCC CNP0128665.0 [2,0,0,0,0,0|0,0,2]=4 36 B10R0.1 CCCC(=O)CCCCCO CNP0177163.0 [2,0,0,0,0,0|2,0,0]=4 37 B10R0.1 CCCCC=CC(=O)OCC CNP0074971.0 [2,0,0,0,0,0|0,0,2]=4 38 B10R0.1 CCCCCCC(=O)CCO CNP0040088.0 [2,0,0,0,0,0|2,0,0]=4 39 B10R0.1 CCCCCCC(=O)OCC CNP0228643.0 [2,0,0,0,0,0|0,0,0]=2 40 B10R0.1 CCCCCOC(=O)CCC CNP0232104.0 [2,0,0,0,0,0|2,0,0]=4 41 B10R0.1 CCOC(=O)CCCCSC CNP0264286.0 [2,0,0,0,0,0|1,0,0]=3 42 B10R0.71 CCC#CCCCCCCC CNP0585103.0 [2,0,0,0,0,0|1,0,1]=4 43 B10R0.71 CCC=CCCCCCCC CNP0194721.0 [2,0,0,0,0,0|1,0,0]=3 44 B10R0.71 CCC=CCCCCCCO CNP0316558.0 [2,0,0,0,0,0|2,0,0]=4 45 B10R0.71 CCCC=CCCCCCC CNP0153165.0 [2,0,0,0,0,0|1,0,1]=4 46 B10R0.71 CCCCCCCC=CCO CNP0212450.0 [2,0,0,0,0,0|2,0,0]=4 47 B10R0.71 CCCCCCCCCCC CNP0270748.0 [2,0,0,0,0,0|1,0,1]=4 48 B10R0.71 CCCCCCCCCC[11CH3] CNP0510425.0 [2,0,0,0,0,0|1,0,1]=4 49 B10R0.71 CCCCCCCCOCC CNP0319929.0 [2,0,0,0,0,0|0,0,1]=3 50 B10R0.74 C=CC(=O)CCCCCCC CNP0331135.0 [2,0,0,0,0,0|0,0,2]=4 51 B10R0.74 CCC=CCCCC(=O)OC CNP0397287.0 [2,0,0,0,0,0|0,0,2]=4 52 B10R0.74 CCCC=CCCC(=O)OC CNP0209155.0 [2,0,0,0,0,0|0,0,2]=4 53 B10R0.74 CCCCCC#CC(=O)OC CNP0136635.0 [2,0,0,0,0,0|0,0,2]=4 54 B10R0.74 CCCCCC=CC(=O)OC CNP0344359.0 [2,0,0,0,0,0|0,0,2]=4 55 B10R0.74 CCCCCCCC(=O)CC CNP0252003.0 [2,0,0,0,0,0|0,0,0]=2 56 B10R0.74 CCCCCCCC(=O)OC CNP0276319.0 [2,0,0,0,0,0|0,0,0]=2 57 B10R0.74 CCCCCCCC(=O)OO CNP0355653.0 [2,0,0,0,0,0|1,0,0]=3 58 B10R0.74 CCCCCCCC(=O)SC CNP0611999.0 [2,0,0,0,0,0|0,1,0]=3 59 B10R0.74 CCCCCCCC(C)OC CNP0223394.0 [2,0,0,0,0,0|1,0,1]=4 60 B10R0.74 CCCCCCCC(Cl)CC CNP0573579.0 [2,0,0,0,0,0|1,0,1]=4 61 B10R0.74 CCCCCCC[C@@H](C)CC CNP0202505.2 [2,0,0,0,0,0|1,0,1]=4 62 B10R0.74 CCCCCCC[C@@H](O)CC CNP0233369.2 [2,0,0,0,0,0|0,0,2]=4 63 B10R0.74 CCCCCCC[C@H](C)CC CNP0202505.1 [2,0,0,0,0,0|1,0,1]=4 64 B10R0.74 CCCCCCC[C@H](O)CC CNP0233369.1 [2,0,0,0,0,0|0,0,2]=4 65 B10R0.74 CCCCCCOC(=O)CC CNP0139015.0 [2,0,0,0,0,0|1,0,0]=3 66 B10R0.2 CCCC(=O)CC(=O)OCC CNP0003512.0 [2,0,0,0,0,0|0,0,2]=4 67 B10R0.2 CCCC(O)CC(=O)OCC CNP0256152.0 [2,0,0,0,0,0|0,0,0]=2 68 B10R0.18 CCCCC(=O)CC(=O)OC CNP0554371.0 [2,0,0,0,0,0|0,0,2]=4 69 B10R0.91 CCCCC[C@@H](C)CCCC CNP0127873.2 [2,0,0,0,0,0|1,0,1]=4 70 B10R0.91 CCCCC[C@H](C)CCCC CNP0127873.1 [2,0,0,0,0,0|1,0,1]=4 71 B10R0.6 CCCCCC(=O)CC(=O)O CNP0414310.0 [2,0,0,0,0,0|0,0,2]=4 72 B10R0.6 CCCCCC(C)CC(=O)O CNP0541477.0 [2,0,0,0,0,0|1,0,0]=3 73 B10R0.6 CCCCC[C@@H](O)CC(=O)O CNP0264958.1 [2,0,0,0,0,0|0,0,0]=2 74 B10R0.6 CCCCC[C@H](C)OC(=O)C CNP0202341.1 [2,0,0,0,0,0|2,0,0]=4 75 B10R0.6 CCCCC[C@H](O)CC(=O)O CNP0264958.2 [2,0,0,0,0,0|0,0,0]=2 76 B10R0.6 NCCCCC(N)CC(=O)O CNP0335565.0 [2,0,0,0,0,0|2,0,0]=4 77 B12R0.1 CC=CC(=O)CCCCCCCC CNP0482568.0 [1,1,0,0,0,0|1,0,1]=4 78 B12R0.1 CCCCCC=CCC(=O)OCC CNP0584413.0 [1,1,0,0,0,0|0,0,1]=3 79 B12R0.1 CCCCCCC#CC(=O)OCC CNP0031634.0 [1,1,0,0,0,0|0,0,1]=3 80 B12R0.1 CCCCCCC=CC(=O)OCC CNP0307887.0 [1,1,0,0,0,0|0,0,1]=3 81 B12R0.1 CCCCCCCCC(=O)OCC CNP0255123.0 [1,1,0,0,0,0|0,0,0]=2 82 B12R0.1 CCCCCCCOC(=O)CCC CNP0077240.0 [1,1,0,0,0,0|1,0,0]=3 83 B12R0.4 CCCCCCCC(=O)OC(=O)C CNP0519254.0 [1,1,0,0,0,0|0,0,1]=3 84 B12R0.4 CCCCCCOC(=O)CC(C)C CNP0187690.0 [1,1,0,0,0,0|2,0,0]=4 85 B12R0.4 CCCCCCOC(=O)CC(C)S CNP0003261.0 [1,1,0,0,0,0|2,0,0]=4 86 B12R0.49 CCCCCCCC(=O)C(=O)OC CNP0530649.0 [1,1,0,0,0,0|2,0,0]=4 87 B12R0.49 CCCCCCOC(=O)[C@@H](C)CC CNP0268240.2 [1,1,0,0,0,0|2,0,0]=4 88 B12R0.49 CCCCCCOC(=O)[C@H](C)CC CNP0268240.1 [1,1,0,0,0,0|2,0,0]=4 89 B12R0.101 CCCCC(C)COC(=O)CCC CNP0076629.0 [1,1,0,0,0,0|2,0,0]=4 90 B12R0.101 CCCC[C@@H](C)CCC(=O)OCC CNP0177367.1 [1,1,0,0,0,0|0,0,0]=2 91 B12R0.114 CC/C=C\CC[C@@H](O)C(=O)OCC CNP0218983.1 [1,1,0,0,0,0|0,0,2]=4 92 B12R0.114 CCCCCC[C@@H](O)C(=O)OCC CNP0292543.1 [1,1,0,0,0,0|0,0,0]=2 93 B12R0.206 C=CCOC(=O)CCCCCCC CNP0051221.0 [1,1,0,0,0,0|0,0,1]=3 94 B12R0.206 CCCCCCCC(=O)CCCC CNP0528685.0 [1,1,0,0,0,0|1,0,0]=3 95 B12R0.206 CCCCCCCC(=O)OCCC CNP0248076.0 [1,1,0,0,0,0|0,0,0]=2 96 B12R0.206 CCCCCCOC(=O)CCCC CNP0076877.0 [1,1,0,0,0,0|2,0,0]=4 97 B12R0.276 CCOC(=O)CCCC[C@@H](C)CC CNP0170449.1 [1,1,0,0,0,0|0,0,0]=2 98 B12R0.277 CCOC(=O)/C=C/CCC[C@H](C)O CNP0117476.1 [1,1,0,0,0,0|0,0,2]=4 99 B12R0.285 CCCC(=O)OCC[C@@H](S)CCC CNP0002774.1 [1,1,0,0,0,0|2,0,0]=4 100 B12R0.285 CCOC(=O)CCCC(=O)OCC CNP0480241.0 [1,1,0,0,0,0|1,0,1]=4 101 B12R0.69 CCOC(=O)C[C@@H](O)C(=O)OCC CNP0137916.1 [1,1,0,0,0,0|1,0,1]=4 102 B12R0.69 CCOC(=O)C[C@H](O)C(=O)OCC CNP0137916.2 [1,1,0,0,0,0|1,0,1]=4 103 B12R0.113 CCCCCC[C@@H](O)CC(=O)OC CNP0110177.2 [1,1,0,0,0,0|0,0,0]=2 104 B12R0.113 CCCCCC[C@H](O)CC(=O)OC CNP0110177.1 [1,1,0,0,0,0|0,0,0]=2 105 B12R0.252 C=C(COCC)[C@H](O)CC(=O)OC CNP0376824.1 [1,1,0,0,0,0|1,0,1]=4 106 B12R1.28 CCCCC[C@@H]1CC=CC(=O)C1 CNP0390327.2 [1,0,0,1,0,0|1,0,1]=4 107 B12R1.28 CCCCC[C@@H]1CCCC(=O)O1 CNP0259863.1 [1,0,0,1,0,0|2,0,0]=4 108 B12R1.28 CCCCC[C@H]1CC=CC(=O)C1 CNP0390327.1 [1,0,0,1,0,0|1,0,1]=4 109 B12R1.28 CCCCC[C@H]1CCCC(=O)O1 CNP0259863.2 [1,0,0,1,0,0|2,0,0]=4 110 B12R1.32 CCCC(=O)C[C@H]1CCCCN1 CNP0276525.1 [1,0,0,1,0,0|2,0,0]=4 111 B12R1.32 CCCC(=O)OC1CCCCC1 CNP0321594.0 [1,0,0,1,0,0|2,0,0]=4 112 B12R1.32 CCOC(=O)CC1CCCCC1 CNP0076528.0 [1,0,0,1,0,0|0,0,0]=2 113 B12R1.32 CCOC(=O)CN1CCNCC1 CNP0516329.0 [1,0,0,1,0,0|2,0,0]=4 114 B12R1.141 C[C@@H]1CCC/C=C\CCC(=O)O1 CNP0199494.1 [1,0,0,1,0,0|0,0,2]=4 115 B12R1.141 C[C@@H]1CCCCCCCC(=O)O1 CNP0363200.1 [1,0,0,1,0,0|0,0,0]=2 116 B12R1.141 C[C@H]1CCC/C=C\CCC(=O)O1 CNP0199494.2 [1,0,0,1,0,0|0,0,2]=4 117 B12R1.141 C[C@H]1CCCCCCCC(=O)O1 CNP0363200.2 [1,0,0,1,0,0|0,0,0]=2 118 B12R1.215 O=C1C=CCCCCCCCO1 CNP0588642.0 [1,0,0,1,0,0|0,0,2]=4 119 B12R1.1564 CCSC(=O)N1CCCCCC1 CNP0035361.0 [1,0,0,1,0,0|1,1,0]=4 120 B12R1.1114 CCCC1C(CC(=O)N1CC)C CNP0422080.0 [1,0,0,1,0,0|2,0,0]=4 121 B12R1.17 CCOC(=O)[C@@H]1CCCN(C1)C CNP0189022.1 [0,0,0,1,1,0|2,0,0]=4 122 B12R1.17 CCOC(=O)[C@H]1CCCN(C1)C CNP0189022.2 [0,0,0,1,1,0|2,0,0]=4 123 B12R1.267 CCCCCC1CCCOC1=O CNP0206110.0 [0,0,0,1,1,0|1,0,0]=3 124 B14R1.1041 CCCCC[C@H](O)[C@@H]1OC(=O)C[C@H]1O CNP0232136.1 [0,0,0,1,0,1|2,0,0]=4 125 B14R1.1047 CCCCCC(=O)N[C@H]1CCOC1=O CNP0192734.1 [0,0,0,1,0,1|0,0,2]=4 126 B14R1.14404 C[C@@H]1CCCC(=O)C[C@H](CC(=O)O1)O CNP0220867.1 [0,1,0,1,0,0|0,0,1]=3 127 B14R1.14404 C[C@@H]1C[C@@H](CCCC(=O)CC(=O)O1)O CNP0320693.1 [0,1,0,1,0,0|0,0,2]=4 128 B14R1.13372 CC1CC=C(CCC(CC(=O)O1)O)O CNP0484782.0 [0,1,0,1,0,0|0,0,2]=4 129 B14R1.13372 C[C@@H]1CCC(=O)CC[C@H](CC(=O)O1)O CNP0575170.1 [0,1,0,1,0,0|0,0,1]=3 130 B14R1.13372 C[C@@H]1CC[C@@H](/C=C/[C@@H](CC(=O)O1)O)O CNP0215528.5 [0,1,0,1,0,0|0,0,2]=4 131 B14R1.13372 C[C@@H]1CC[C@@H](/C=C/[C@H](CC(=O)O1)O)O CNP0215528.6 [0,1,0,1,0,0|0,0,2]=4 132 B14R1.13372 C[C@@H]1CC[C@@H](/C=C\[C@@H](CC(=O)O1)O)O CNP0215528.2 [0,1,0,1,0,0|0,0,2]=4 133 B14R1.13372 C[C@@H]1CC[C@@H](/C=C\[C@H](CC(=O)O1)O)O CNP0215528.3 [0,1,0,1,0,0|0,0,2]=4 134 B14R1.13372 C[C@@H]1CC[C@H](/C=C/[C@H](CC(=O)O1)O)O CNP0215528.4 [0,1,0,1,0,0|0,0,2]=4 135 B14R1.13372 C[C@@H]1CC[C@H](/C=C\[C@H](CC(=O)O1)O)O CNP0215528.1 [0,1,0,1,0,0|0,0,2]=4 136 B14R2.28480 C[C@@H]1C[C@@H]2CCCC(=C2C(=O)O1)O CNP0247105.1 [0,0,0,2,0,0|0,0,2]=4 137 B14R2.28480 C[C@@H]1C[C@@H]2CCC[C@@H]([C@@H]2C(=O)O1)O CNP0270271.2 [0,0,0,2,0,0|0,0,0]=2 138 B14R2.28480 C[C@@H]1C[C@H]2CCCC(=C2C(=O)O1)O CNP0247105.2 [0,0,0,2,0,0|0,0,2]=4 139 B14R2.28480 C[C@H]1CC2CCC[C@H](C2C(=O)O1)O CNP0270271.1 [0,0,0,2,0,0|0,0,0]=2 140 B14R2.28480 C[C@H]1C[C@H]2CCCC(=C2C(=O)O1)O CNP0247105.3 [0,0,0,2,0,0|0,0,2]=4 141 B14R2.28480 C[C@H]1C[C@H]2CCC[C@H]([C@H]2C(=O)O1)O CNP0270271.3 [0,0,0,2,0,0|0,0,0]=2 142 B14R2.37351 CCN1OC2(CCNCC2)CC1=O CNP0602622.0 [0,0,0,2,0,0|2,0,0]=4 143 B14R2.5745 C[C@@H]1[C@H]2CC[C@@H]([C@@H]2C(=O)O[C@H]1O)C CNP0176179.2 [0,0,0,2,0,0|2,0,0]=4 144 B14R2.5745 C[C@@H]1[C@H]2CC[C@@H]([C@H]2C(=O)O[C@@H]1O)C CNP0176179.1 [0,0,0,2,0,0|2,0,0]=4 145 B14R2.836 CCOC(=O)[C@@H]1OC12CCCCC2 CNP0350223.1 [0,0,0,2,0,0|0,0,0]=2 146 B14R2.836 CCOC(=O)[C@H]1OC12CCCCC2 CNP0350223.2 [0,0,0,2,0,0|0,0,0]=2 147 B10R0.19 CCCCC(O)C(=O)OCC CNP0612227.0 [1,0,0,0,1,0|0,0,0]=2 148 B10R0.19 CCCC[C@H](Br)C(=O)OCC CNP0154903.1 [1,0,0,0,1,0|1,0,0]=3 149 B10R0.19 CCOC(=O)[C@@H](N)CCSC CNP0177391.1 [1,0,0,0,1,0|2,0,0]=4 150 B10R0.83 CCCCCC(N)C(=O)NC CNP0600257.0 [1,0,0,0,1,0|2,0,0]=4 151 B10R0.83 COC(=O)C(N)CCCCN CNP0071113.0 [1,0,0,0,1,0|2,0,0]=4