0 B8R0.1 C=CCCC(=O)OCC CNP0003358.0 [0,0,0,0,0,0|0,0,0]=0 1 B8R0.1 C=CCC[C@@H](O)CCC CNP0196626.2 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.1 C=CCC[C@H](O)CCC CNP0196626.1 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.1 C=CCOC(=O)C=CC CNP0018156.0 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.1 C=CCOC(=O)CCC CNP0002468.0 [0,0,0,0,0,0|2,0,0]=2 5 B8R0.1 C=CCOS(=S)CCC CNP0539832.0 [0,0,0,0,0,0|3,1,0]=4 6 B8R0.1 C=CCS[S+]([O-])CCC CNP0600952.0 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [0,0,0,0,0,0|1,0,3]=4 8 B8R0.1 CCCC(=O)OCSC CNP0002701.0 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [0,0,0,0,0,0|1,0,2]=3 10 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [0,0,0,0,0,0|0,0,2]=2 11 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [0,0,0,0,0,0|2,0,2]=4 12 B8R0.1 CCOC(=O)CCC=O CNP0576338.0 [0,0,0,0,0,0|1,0,0]=1 13 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [0,0,0,0,0,0|1,0,1]=2 14 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [0,0,0,0,0,0|1,0,1]=2 15 B8R0.1 CCO[S@H](=O)SCSC CNP0547114.1 [0,0,0,0,0,0|3,0,1]=4 16 B8R0.1 CCO[S@](=O)SCSC CNP0331532.1 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.1 C=CC=CC=CCC CNP0261432.0 [1,0,0,0,0,0|1,0,2]=4 18 B7R0.1 C=CC=CCCC=C CNP0365770.0 [1,0,0,0,0,0|1,0,2]=4 19 B7R0.1 C=CCCCC=CC CNP0076717.0 [1,0,0,0,0,0|1,0,2]=4 20 B7R0.1 C=CCCCCCC CNP0246919.0 [1,0,0,0,0,0|1,0,1]=3 21 B7R0.1 C=CCCCCCO CNP0075956.0 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.1 C=CCSSCCC CNP0170059.0 [1,0,0,0,0,0|3,0,0]=4 23 B7R0.1 CCC=CCCC=O CNP0265888.0 [1,0,0,0,0,0|2,0,0]=3 24 B7R0.1 CCC=CCCCC CNP0084702.0 [1,0,0,0,0,0|1,0,2]=4 25 B7R0.1 CCC=CCCCO CNP0003503.0 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.1 CCCC=CCC=O CNP0201799.0 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.1 CCCCCCC=O CNP0243745.0 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.1 CCCCCOCC CNP0520137.0 [1,0,0,0,0,0|0,0,3]=4 29 B7R0.3 C=C(CC)CCCC CNP0084703.0 [1,0,0,0,0,0|1,0,2]=4 30 B7R0.3 C=CCCC(=C)C=C CNP0603134.0 [1,0,0,0,0,0|1,0,2]=4 31 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [1,0,0,0,0,0|0,0,0]=1 32 B7R0.3 C=CCC[C@@H](Br)CBr CNP0342549.2 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.3 C=CCC[C@H](Br)CBr CNP0342549.1 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.3 C=CCSC(=O)CC CNP0172366.0 [1,0,0,0,0,0|1,0,0]=2 35 B7R0.3 C=CCSS(=O)OC CNP0499912.0 [1,0,0,0,0,0|2,0,0]=3 36 B7R0.3 CCC(=O)C=CC=O CNP0194060.0 [1,0,0,0,0,0|1,0,2]=4 37 B7R0.3 CCC(=O)CCSC CNP0003468.0 [1,0,0,0,0,0|1,0,1]=3 38 B7R0.3 CCC(=O)OCCO CNP0095595.0 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.3 CCCCC(=O)CC CNP0286726.0 [1,0,0,0,0,0|0,0,2]=3 40 B7R0.3 CCCCC(=O)OC CNP0184855.0 [1,0,0,0,0,0|0,0,2]=3 41 B7R0.3 CCCOC(=O)CC CNP0296678.0 [1,0,0,0,0,0|1,0,2]=4 42 B7R0.3 CCOCC(=O)OC CNP0306071.0 [1,0,0,0,0,0|1,0,2]=4 43 B7R0.3 COC(=O)CCC#N CNP0076214.0 [1,0,0,0,0,0|1,0,1]=3 44 B7R0.3 COC(=O)CCC=O CNP0246367.0 [1,0,0,0,0,0|1,0,0]=2 45 B7R0.3 COC(=O)CCSC CNP0302353.0 [1,0,0,0,0,0|1,0,1]=3 46 B7R0.7 C=C(CCC)CCC CNP0515689.0 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.7 C=C(OCC)OCC CNP0510072.0 [1,0,0,0,0,0|2,0,1]=4 48 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [1,0,0,0,0,0|2,0,0]=3 49 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [1,0,0,0,0,0|0,0,0]=1 50 B7R0.7 C=CCS(=O)OCC CNP0003495.0 [1,0,0,0,0,0|1,0,0]=2 51 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [1,0,0,0,0,0|1,0,2]=4 52 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [1,0,0,0,0,0|0,0,2]=3 53 B7R0.7 CCC=C(C)CCC CNP0345457.0 [1,0,0,0,0,0|2,0,1]=4 54 B7R0.7 CCCC(=O)CCC CNP0310318.0 [1,0,0,0,0,0|1,0,1]=3 55 B7R0.7 CCCC(=O)OCC CNP0232050.0 [1,0,0,0,0,0|0,0,1]=2 56 B7R0.7 CCCC(=S)OCC CNP0612025.0 [1,0,0,0,0,0|0,1,1]=3 57 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [1,0,0,0,0,0|1,0,2]=4 58 B7R0.7 CCOC(=O)C=CBr CNP0103315.0 [1,0,0,0,0,0|1,0,1]=3 59 B7R0.7 CCOC(=O)C=CCl CNP0155772.0 [1,0,0,0,0,0|1,0,1]=3 60 B7R0.7 CCOC(=O)C=CI CNP0229422.0 [1,0,0,0,0,0|1,0,1]=3 61 B7R0.7 CCOC(=O)CCS CNP0347470.0 [1,0,0,0,0,0|1,0,0]=2 62 B7R0.7 CCOC(=O)CNC CNP0575591.0 [1,0,0,0,0,0|1,0,1]=3 63 B7R0.7 CCOC(=O)CSC CNP0330528.0 [1,0,0,0,0,0|1,0,1]=3 64 B7R0.7 CCOC(=O)OCC CNP0167765.0 [1,0,0,0,0,0|1,0,1]=3 65 B7R0.7 CCOP(=O)OCC CNP0575132.0 [1,0,0,0,0,0|2,0,1]=4 66 B9R0.4 C=CCOC(=O)CC(C)C CNP0131911.0 [0,1,0,0,0,0|2,0,0]=3 67 B9R0.4 CCCCC(=O)OC(C)C CNP0348909.0 [0,1,0,0,0,0|0,0,2]=3 68 B9R0.5 C=CCCCC(=O)OCC CNP0023026.0 [0,1,0,0,0,0|0,0,0]=1 69 B9R0.5 CC=CC=CC(=O)OCC CNP0002481.0 [0,1,0,0,0,0|0,0,2]=3 70 B9R0.5 CC=CCCC(=O)CCC CNP0280412.0 [0,1,0,0,0,0|1,0,0]=2 71 B9R0.5 CCC=CCC(=O)OCC CNP0055106.0 [0,1,0,0,0,0|0,0,2]=3 72 B9R0.5 CCCC(=O)CCCC=O CNP0599929.0 [0,1,0,0,0,0|1,0,1]=3 73 B9R0.5 CCCC=CC(=O)OCC CNP0003275.0 [0,1,0,0,0,0|0,0,3]=4 74 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [0,1,0,0,0,0|1,0,2]=4 75 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [0,1,0,0,0,0|0,0,2]=3 76 B9R0.5 CCCCOC(=O)CCC CNP0123594.0 [0,1,0,0,0,0|1,0,2]=4 77 B9R0.5 CCOC(=O)CCCC#N CNP0244990.0 [0,1,0,0,0,0|0,0,2]=3 78 B9R0.5 CCOC(=O)CCCSC CNP0002800.0 [0,1,0,0,0,0|0,0,2]=3 79 B9R0.5 O=CCCSC(=O)CCS CNP0552323.0 [0,1,0,0,0,0|3,0,0]=4 80 B9R0.8 C=CCOC(=O)C(=CC)C CNP0002799.0 [0,1,0,0,0,0|2,0,1]=4 81 B9R0.18 C=CCOC(=O)CCCC CNP0003307.0 [0,1,0,0,0,0|2,0,0]=3 82 B9R0.18 C=CCOC(=O)OCCO CNP0325066.0 [0,1,0,0,0,0|1,0,0]=2 83 B9R0.18 CCCCC(=O)CCCC CNP0611710.0 [0,1,0,0,0,0|1,0,2]=4 84 B9R0.18 CCCCC(=O)OCCC CNP0084151.0 [0,1,0,0,0,0|0,0,2]=3 85 B9R0.34 C=C[C@H](O)CC(=O)/C=C/C CNP0207948.1 [0,1,0,0,0,0|1,0,1]=3 86 B9R0.34 CCOC(=O)CC(C)SC CNP0019037.0 [0,1,0,0,0,0|1,0,1]=3 87 B9R0.34 CCOC(=O)C[C@@H](O)CC CNP0017829.1 [0,1,0,0,0,0|0,0,2]=3 88 B9R0.34 CCOC(=O)C[C@H](C)CC CNP0112934.1 [0,1,0,0,0,0|0,0,2]=3 89 B9R0.35 C/C=C/[C@H](C)C(=O)OCC CNP0248214.1 [0,1,0,0,0,0|0,0,2]=3 90 B9R0.35 C=C=CC(C)C(=O)OCC CNP0002840.0 [0,1,0,0,0,0|0,0,2]=3 91 B9R0.35 C=CCC(C)C(=O)OCC CNP0139800.0 [0,1,0,0,0,0|0,0,0]=1 92 B9R0.35 CCCC(=O)C(O)CCC CNP0003366.0 [0,1,0,0,0,0|1,0,2]=4 93 B9R0.35 CCC[C@H](C)C(=O)OCC CNP0333238.1 [0,1,0,0,0,0|0,0,2]=3 94 B9R0.35 CCOC(=O)C(C)SSC CNP0103429.0 [0,1,0,0,0,0|2,0,1]=4 95 B9R0.48 C=C(C)COC(=O)CCC CNP0002915.0 [0,1,0,0,0,0|2,0,0]=3 96 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [0,1,0,0,0,0|1,0,1]=3 97 B9R0.48 CCCC(=O)COC(=O)C CNP0598796.0 [0,1,0,0,0,0|2,0,1]=4 98 B9R0.48 CCCC(=O)NCC(=O)O CNP0083880.0 [0,1,0,0,0,0|3,0,0]=4 99 B9R0.48 CCOC(=O)C=CC(=O)O CNP0272269.0 [0,1,0,0,0,0|1,0,2]=4 100 B9R0.48 CCOC(=O)CCC(=O)C CNP0002491.0 [0,1,0,0,0,0|0,0,1]=2 101 B9R0.48 CCOC(=O)CCC(=O)N CNP0277152.0 [0,1,0,0,0,0|1,0,0]=2 102 B9R0.48 CCOC(=O)CCC(=O)O CNP0186824.0 [0,1,0,0,0,0|1,0,0]=2 103 B9R0.48 CCOC(=O)CCC(C)C CNP0084329.0 [0,1,0,0,0,0|0,0,2]=3 104 B9R0.48 CCOC(=O)CC[N+](=O)[O-] CNP0530407.0 [0,1,0,0,0,0|2,0,0]=3 105 B9R0.48 CCOC(=O)CC[S@+](C)[O-] CNP0541212.1 [0,1,0,0,0,0|1,0,1]=3 106 B9R0.48 CCSC(=O)CNC(=O)C CNP0507251.0 [0,1,0,0,0,0|1,1,1]=4 107 B9R0.48 NCNC(=O)CCC(=O)O CNP0599954.0 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.7 CCCC1=CC(=O)CC1 CNP0248705.0 [0,0,0,1,0,0|3,0,0]=4 109 B9R1.7 CCO[C@H]1CCC(=O)O1 CNP0310487.1 [0,0,0,1,0,0|1,0,2]=4 110 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [0,0,0,1,0,0|1,0,2]=4 111 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [0,0,0,1,0,0|2,0,1]=4 112 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [0,0,0,1,0,0|1,0,2]=4 113 B9R1.27 CC1=C(C(=O)CC1)CO CNP0391930.0 [0,0,0,1,0,0|2,0,1]=4 114 B9R1.27 CCC1=C(CCC1=O)C CNP0197955.0 [0,0,0,1,0,0|1,0,1]=3 115 B9R1.27 CCN1C(=O)CCC1=O CNP0304586.0 [0,0,0,1,0,0|2,0,0]=3 116 B9R1.27 CCN1C(=O)CCC1O CNP0578376.0 [0,0,0,1,0,0|2,0,1]=4 117 B9R1.27 COC1=C(CCC1=O)C CNP0163251.0 [0,0,0,1,0,0|2,0,1]=4 118 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [0,0,0,1,0,0|1,0,2]=4 119 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [0,0,0,1,0,0|0,0,2]=3 120 B9R1.49 C=C1CCCC(CC1)C CNP0586791.0 [0,0,0,1,0,0|2,0,1]=4 121 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [0,0,0,1,0,0|1,0,2]=4 122 B9R1.69 CC1=C(OC(=O)CC1)C CNP0612037.0 [0,0,0,1,0,0|0,0,2]=3 123 B9R1.69 C[C@@H]1CCC(=O)O[C@H]1C CNP0250448.1 [0,0,0,1,0,0|0,0,2]=3 124 B9R1.69 C[C@@H]1NC(=O)CNC1=O CNP0190271.1 [0,0,0,1,0,0|3,0,0]=4 125 B9R1.69 C[C@@H]1OC(=O)CC[C@@H]1C CNP0250448.2 [0,0,0,1,0,0|0,0,2]=3 126 B9R1.69 C[C@H]1NC(=O)CNC1=O CNP0190271.2 [0,0,0,1,0,0|3,0,0]=4 127 B9R1.69 C[C@H]1O[C@@H](CCC1=O)O CNP0334218.1 [0,0,0,1,0,0|1,0,2]=4 128 B9R1.183 CCOC(=O)C1OC1C CNP0611901.0 [0,0,0,1,0,0|1,0,2]=4 129 B6R0.6 C=CC=CCCC CNP0526826.0 [2,0,0,0,0,0|1,0,1]=4 130 B6R0.6 C=CCCC=CC CNP0426808.0 [2,0,0,0,0,0|0,0,1]=3 131 B6R0.6 C=CCCCCC CNP0226691.0 [2,0,0,0,0,0|0,0,1]=3 132 B6R0.6 C=CCCCCO CNP0162421.0 [2,0,0,0,0,0|1,0,1]=4 133 B6R0.6 C=CCSCCC CNP0150756.0 [2,0,0,0,0,0|1,0,1]=4 134 B6R0.6 C=COCCCC CNP0077236.0 [2,0,0,0,0,0|1,0,1]=4 135 B6R0.6 CC=CCCC=O CNP0056069.0 [2,0,0,0,0,0|1,0,1]=4 136 B6R0.6 CCC=CCC=O CNP0227189.0 [2,0,0,0,0,0|1,0,1]=4 137 B6R0.6 CCC=CCCC CNP0391454.0 [2,0,0,0,0,0|1,0,1]=4 138 B6R0.6 CCC=CCCO CNP0255718.0 [2,0,0,0,0,0|2,0,0]=4 139 B6R0.6 CCCCCC=O CNP0304790.0 [2,0,0,0,0,0|1,0,1]=4 140 B6R0.6 CCOCCCO CNP0304052.0 [2,0,0,0,0,0|1,0,1]=4 141 B6R0.6 CCOCCCS CNP0267296.0 [2,0,0,0,0,0|1,0,1]=4 142 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [2,0,0,0,0,0|2,0,0]=4 143 B6R0.1 C=CC(=O)CCC CNP0162905.0 [2,0,0,0,0,0|1,0,0]=3 144 B6R0.1 C=CC(=O)OCC CNP0197495.0 [2,0,0,0,0,0|0,0,0]=2 145 B6R0.1 C=CCC(=O)CC CNP0580605.0 [2,0,0,0,0,0|0,0,0]=2 146 B6R0.1 C=CCS(=S)OC CNP0557318.0 [2,0,0,0,0,0|1,1,0]=4 147 B6R0.1 CC=CC(=O)CC CNP0127812.0 [2,0,0,0,0,0|0,0,2]=4 148 B6R0.1 CC=CC(=O)OC CNP0003452.0 [2,0,0,0,0,0|0,0,2]=4 149 B6R0.1 CCC(=O)CSC CNP0170567.0 [2,0,0,0,0,0|1,0,1]=4 150 B6R0.1 CCCC(=O)C=O CNP0111121.0 [2,0,0,0,0,0|2,0,0]=4 151 B6R0.1 CCCC(=O)CC CNP0248158.0 [2,0,0,0,0,0|0,0,1]=3 152 B6R0.1 CCCC(=O)CO CNP0084314.0 [2,0,0,0,0,0|1,0,1]=4 153 B6R0.1 CCCC(=O)OC CNP0159910.0 [2,0,0,0,0,0|0,0,1]=3 154 B6R0.1 CCCC(=O)SC CNP0084452.0 [2,0,0,0,0,0|0,1,1]=4 155 B6R0.1 CCNC(=O)CC CNP0586892.0 [2,0,0,0,0,0|1,0,0]=3 156 B6R0.1 CCNC(=O)OC CNP0585352.0 [2,0,0,0,0,0|1,0,1]=4 157 B6R0.1 CCOC(=O)C=O CNP0218484.0 [2,0,0,0,0,0|1,0,0]=3 158 B6R0.1 CCOC(=O)CC CNP0169171.0 [2,0,0,0,0,0|0,0,0]=2 159 B6R0.1 CCOC(=O)CI CNP0158474.0 [2,0,0,0,0,0|1,0,0]=3 160 B6R0.1 CCOC(=O)NC CNP0565390.0 [2,0,0,0,0,0|1,0,0]=3 161 B6R0.1 CCOC(C)CC CNP0086282.0 [2,0,0,0,0,0|1,0,1]=4 162 B6R0.1 CCSC(=O)CC CNP0265303.0 [2,0,0,0,0,0|0,1,0]=3 163 B6R0.1 CNCC(=O)OC CNP0311286.0 [2,0,0,0,0,0|1,0,1]=4 164 B6R0.1 COC(=O)C=CBr CNP0321764.0 [2,0,0,0,0,0|1,0,1]=4 165 B6R0.1 COC(=O)C=CI CNP0190700.0 [2,0,0,0,0,0|1,0,1]=4 166 B6R0.1 COC(=O)CC=O CNP0187576.0 [2,0,0,0,0,0|1,0,0]=3 167 B6R0.1 COC(=O)CSC CNP0189712.0 [2,0,0,0,0,0|1,0,1]=4 168 B6R0.1 COCC(=O)OC CNP0202591.0 [2,0,0,0,0,0|1,0,1]=4 169 B6R0.4 C=CC=CC(=O)O CNP0076475.0 [2,0,0,0,0,0|0,0,2]=4 170 B6R0.4 C=CCCC(=O)C CNP0610109.0 [2,0,0,0,0,0|0,0,0]=2 171 B6R0.4 C=CCCC(=O)N CNP0118917.0 [2,0,0,0,0,0|1,0,0]=3 172 B6R0.4 C=CCCC(=O)O CNP0003359.0 [2,0,0,0,0,0|0,0,0]=2 173 B6R0.4 C=CCCC(C)O CNP0519217.0 [2,0,0,0,0,0|0,0,2]=4 174 B6R0.4 C=CCOC(=O)C CNP0175648.0 [2,0,0,0,0,0|1,0,0]=3 175 B6R0.4 C=CCSC(=O)C CNP0301401.0 [2,0,0,0,0,0|1,0,0]=3 176 B6R0.4 CC(=O)CCC=O CNP0261239.0 [2,0,0,0,0,0|1,0,0]=3 177 B6R0.4 CC=CCC(=O)O CNP0610144.0 [2,0,0,0,0,0|0,0,2]=4 178 B6R0.4 CCCCC(=O)C CNP0194685.0 [2,0,0,0,0,0|0,0,2]=4 179 B6R0.4 CCCCC(=O)O CNP0144818.0 [2,0,0,0,0,0|0,0,2]=4 180 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [2,0,0,0,0,0|0,0,2]=4 181 B6R0.4 CNCCC(=O)O CNP0502963.0 [2,0,0,0,0,0|1,0,1]=4 182 B6R0.4 CSCCC(=O)C CNP0353152.0 [2,0,0,0,0,0|1,0,1]=4 183 B6R0.4 CSCCC(=O)O CNP0143779.0 [2,0,0,0,0,0|1,0,1]=4 184 B6R0.4 N=CNCC(=O)O CNP0218776.0 [2,0,0,0,0,0|2,0,0]=4 185 B6R0.4 NCCCC(=O)O CNP0116256.0 [2,0,0,0,0,0|1,0,1]=4 186 B6R0.4 O=C(O)CCCO CNP0236331.0 [2,0,0,0,0,0|1,0,1]=4 187 B6R0.4 O=CCCC(=O)O CNP0318740.0 [2,0,0,0,0,0|1,0,0]=3 188 B6R0.4 O=CNCC(=O)O CNP0082901.0 [2,0,0,0,0,0|2,0,0]=4 189 B8R0.4 C=CCCCCCCC CNP0317850.0 [1,1,0,0,0,0|1,0,1]=4 190 B8R0.4 C=CCCCCCCO CNP0610530.0 [1,1,0,0,0,0|1,0,1]=4 191 B8R0.4 CC=CCCC=CCO CNP0076887.0 [1,1,0,0,0,0|2,0,0]=4 192 B8R0.4 CC=CCCCCCC CNP0241269.0 [1,1,0,0,0,0|1,0,1]=4 193 B8R0.4 CCC=CCCCC=O CNP0002614.0 [1,1,0,0,0,0|1,0,1]=4 194 B8R0.4 CCC=CCCOC=O CNP0053041.0 [1,1,0,0,0,0|2,0,0]=4 195 B8R0.4 CCCCCCC=CO CNP0605778.0 [1,1,0,0,0,0|1,0,1]=4 196 B8R0.6 C=CC(=O)CC=CCC CNP0046682.0 [1,1,0,0,0,0|1,0,1]=4 197 B8R0.6 C=C[C@@H](O)/C=C/CCC CNP0182495.1 [1,1,0,0,0,0|1,0,1]=4 198 B8R0.6 C=C[C@@H](O)C/C=C/CC CNP0227768.1 [1,1,0,0,0,0|1,0,0]=3 199 B8R0.6 C=C[C@@H](O)C/C=C\CC CNP0227768.2 [1,1,0,0,0,0|1,0,0]=3 200 B8R0.6 C=C[C@@H](O)CCCCC CNP0246419.1 [1,1,0,0,0,0|1,0,1]=4 201 B8R0.6 C=C[C@H](O)C/C=C/CC CNP0227768.4 [1,1,0,0,0,0|1,0,0]=3 202 B8R0.6 C=C[C@H](O)C/C=C\CC CNP0227768.3 [1,1,0,0,0,0|1,0,0]=3 203 B8R0.6 C=C[C@H](O)CCCCC CNP0246419.2 [1,1,0,0,0,0|1,0,1]=4 204 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [1,1,0,0,0,0|1,0,1]=4 205 B8R0.7 C=CCCC=CC(=O)C CNP0360839.0 [1,1,0,0,0,0|1,0,1]=4 206 B8R0.7 C=CCCCCC(C)O CNP0002843.0 [1,1,0,0,0,0|1,0,1]=4 207 B8R0.7 C=CCCCOC(=O)C CNP0186159.0 [1,1,0,0,0,0|0,0,2]=4 208 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [1,1,0,0,0,0|1,0,1]=4 209 B8R0.7 CCC=CCCC(=O)Cl CNP0194264.0 [1,1,0,0,0,0|2,0,0]=4 210 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [1,1,0,0,0,0|2,0,0]=4 211 B8R0.3 C=CCC(C)C(=O)CC CNP0611593.0 [1,1,0,0,0,0|0,0,0]=2 212 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [1,1,0,0,0,0|0,0,2]=4 213 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [1,1,0,0,0,0|0,0,2]=4 214 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [1,1,0,0,0,0|0,0,2]=4 215 B8R0.3 CNC[C@@H](C)C(=O)OC CNP0198050.1 [1,1,0,0,0,0|1,0,1]=4 216 B8R0.3 COC[C@@H](N)C(=O)OC CNP0591691.1 [1,1,0,0,0,0|1,0,1]=4 217 B8R0.3 COC[C@H](N)C(=O)OC CNP0591691.2 [1,1,0,0,0,0|1,0,1]=4 218 B8R0.8 C=CCOC(=O)C(C)C CNP0230634.0 [1,1,0,0,0,0|1,0,0]=3 219 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [1,1,0,0,0,0|0,0,2]=4 220 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [1,1,0,0,0,0|0,0,2]=4 221 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [1,1,0,0,0,0|0,0,2]=4 222 B8R0.9 CCC(=O)CC=C(C)C CNP0559660.0 [1,1,0,0,0,0|0,0,2]=4 223 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [1,1,0,0,0,0|0,0,1]=3 224 B8R0.9 CCC(=O)CCC(=O)O CNP0609090.0 [1,1,0,0,0,0|1,0,0]=3 225 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [1,1,0,0,0,0|0,0,2]=4 226 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [1,1,0,0,0,0|0,0,2]=4 227 B8R0.9 CCC(=O)COC(=O)C CNP0146309.0 [1,1,0,0,0,0|1,0,1]=4 228 B8R0.9 CCC(=O)NCC(=O)O CNP0322949.0 [1,1,0,0,0,0|2,0,0]=4 229 B8R0.9 COC(=O)CC=C(C)C CNP0248108.0 [1,1,0,0,0,0|0,0,2]=4 230 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [1,1,0,0,0,0|0,0,1]=3 231 B8R0.9 COC(=O)CCC(=O)N CNP0319465.0 [1,1,0,0,0,0|1,0,0]=3 232 B8R0.9 COC(=O)CCC(=O)O CNP0184181.0 [1,1,0,0,0,0|1,0,0]=3 233 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [1,1,0,0,0,0|0,0,2]=4 234 B8R0.9 COC(=O)CNC(=O)C CNP0234479.0 [1,1,0,0,0,0|1,0,1]=4 235 B8R0.9 NCC(=O)CCC(=O)O CNP0153451.0 [1,1,0,0,0,0|2,0,0]=4 236 B8R0.9 O=C(O)CCC(=O)CO CNP0325230.0 [1,1,0,0,0,0|2,0,0]=4 237 B8R0.19 CC=C(C)CC(=O)OC CNP0103912.0 [1,1,0,0,0,0|0,0,2]=4 238 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [1,1,0,0,0,0|0,0,2]=4 239 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [1,1,0,0,0,0|0,0,2]=4 240 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [1,1,0,0,0,0|0,0,2]=4 241 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [1,1,0,0,0,0|0,0,2]=4 242 B8R0.19 COC(=O)CC(C)SC CNP0007855.0 [1,1,0,0,0,0|1,0,1]=4 243 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [1,1,0,0,0,0|1,0,1]=4 244 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [1,1,0,0,0,0|2,0,0]=4 245 B8R0.5 CCCC(=O)CC(C)C CNP0504556.0 [1,1,0,0,0,0|1,0,1]=4 246 B8R0.5 CCCC(=O)OC(C)C CNP0194975.0 [1,1,0,0,0,0|0,0,1]=3 247 B8R0.5 CCOC(=O)C=C(Br)Br CNP0238604.0 [1,1,0,0,0,0|1,0,1]=4 248 B8R0.5 CCOC(=O)C=C(C)C CNP0502082.0 [1,1,0,0,0,0|0,0,2]=4 249 B8R0.5 CCOC(=O)C=C(Cl)Cl CNP0166336.0 [1,1,0,0,0,0|1,0,1]=4 250 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [1,1,0,0,0,0|0,0,1]=3 251 B8R0.5 CCOC(=O)CC(=O)N CNP0369111.0 [1,1,0,0,0,0|1,0,0]=3 252 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [1,1,0,0,0,0|1,0,0]=3 253 B8R0.5 CCOC(=O)CC(C)C CNP0224486.0 [1,1,0,0,0,0|0,0,1]=3 254 B8R0.5 CCOC(=O)CC(C)S CNP0121387.0 [1,1,0,0,0,0|0,0,1]=3 255 B8R0.5 CCOC(=O)C[C@@H](C)N CNP0183857.1 [1,1,0,0,0,0|0,0,1]=3 256 B8R0.5 CCOC(=O)C[C@@H](C)O CNP0265277.2 [1,1,0,0,0,0|0,0,1]=3 257 B8R0.5 CCOC(=O)C[C@H](C)O CNP0265277.1 [1,1,0,0,0,0|0,0,1]=3 258 B8R0.5 CCOC(=O)C[S+](C)C CNP0041723.0 [1,1,0,0,0,0|1,0,1]=4 259 B8R0.5 CCOC(=O)C[S](C)C CNP0481099.0 [1,1,0,0,0,0|1,0,1]=4 260 B8R0.5 CCOC(=O)NC(=O)N CNP0241486.0 [1,1,0,0,0,0|2,0,0]=4 261 B8R0.22 CCC=C(C=O)CCC CNP0527539.0 [1,1,0,0,0,0|1,0,1]=4 262 B10R0.6 CC(C)CC(=O)NCCC=O CNP0412095.0 [0,2,0,0,0,0|2,0,0]=4 263 B10R0.6 CCCCCC(=O)OC(C)C CNP0202716.0 [0,2,0,0,0,0|0,0,2]=4 264 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C CNP0332739.1 [0,2,0,0,0,0|0,0,2]=4 265 B10R0.32 CCOC(=O)[C@@H](O)CC(C)C CNP0389022.1 [0,2,0,0,0,0|0,0,2]=4 266 B10R0.32 CCOC(=O)[C@H](C)C[C@H](C)O CNP0280330.1 [0,2,0,0,0,0|0,0,2]=4 267 B10R0.32 CCOC(=O)[C@H](C)OC(=O)C CNP0114784.1 [0,2,0,0,0,0|1,0,1]=4 268 B10R0.44 C=CC(=C)CC(=O)CC(C)C CNP0179446.0 [0,2,0,0,0,0|1,0,1]=4 269 B10R0.44 C=C[C@@H](C)CC(=O)CC(C)C CNP0350392.1 [0,2,0,0,0,0|1,0,0]=3 270 B10R0.44 C=C[C@H](C)CC(=O)CC(C)C CNP0350392.2 [0,2,0,0,0,0|1,0,0]=3 271 B10R0.96 CC(C)OC(=O)CCC(=O)O CNP0547700.0 [0,2,0,0,0,0|1,0,0]=3 272 B10R0.1 C=CCCCOC(=O)CCC CNP0608395.0 [0,2,0,0,0,0|1,0,0]=3 273 B10R0.1 CCC=CCCC(=O)OCC CNP0128665.0 [0,2,0,0,0,0|0,0,0]=2 274 B10R0.1 CCCCC=CC(=O)OCC CNP0074971.0 [0,2,0,0,0,0|0,0,2]=4 275 B10R0.1 CCCCCCC(=O)OCC CNP0228643.0 [0,2,0,0,0,0|0,0,2]=4 276 B10R0.1 CCOC(=O)CCCCSC CNP0264286.0 [0,2,0,0,0,0|0,0,2]=4 277 B10R0.2 CCCC(=O)CC(=O)OCC CNP0003512.0 [0,2,0,0,0,0|0,0,2]=4 278 B10R0.2 CCCC(O)CC(=O)OCC CNP0256152.0 [0,2,0,0,0,0|0,0,2]=4 279 B10R0.3 C=C(C)CCOC(=O)CCC CNP0525083.0 [0,2,0,0,0,0|1,0,0]=3 280 B10R0.3 CCCC(=O)CCCC(=O)O CNP0236856.0 [0,2,0,0,0,0|1,0,1]=4 281 B10R0.3 CCOC(=O)CCCC(=O)C CNP0564200.0 [0,2,0,0,0,0|0,0,1]=3 282 B10R0.3 CCOC(=O)CCCC(C)C CNP0181211.0 [0,2,0,0,0,0|0,0,2]=4 283 B10R0.3 CCOC(=O)CCCC(C)O CNP0612036.0 [0,2,0,0,0,0|0,0,2]=4 284 B10R0.19 CCCCC(O)C(=O)OCC CNP0612227.0 [0,2,0,0,0,0|0,0,2]=4 285 B10R0.19 CCCC[C@H](Br)C(=O)OCC CNP0154903.1 [0,2,0,0,0,0|0,0,2]=4 286 B10R0.19 CCOC(=O)[C@@H](N)CCSC CNP0177391.1 [0,2,0,0,0,0|0,0,2]=4 287 B10R0.24 CC=CCCC(=NO)CCC CNP0136306.0 [0,2,0,0,0,0|1,0,1]=4 288 B10R0.91 C=CCOC(=O)C=CCCC CNP0004248.0 [0,2,0,0,0,0|2,0,0]=4 289 B10R0.91 C=CCOC(=O)CCCCC CNP0190608.0 [0,2,0,0,0,0|2,0,0]=4 290 B10R0.91 C=CCSC(=O)CCCCC CNP0018361.0 [0,2,0,0,0,0|2,0,0]=4 291 B10R0.91 CCCCCC(=O)CCC=O CNP0301067.0 [0,2,0,0,0,0|2,0,0]=4 292 B10R0.91 CCCCCC(=O)OCCC CNP0003080.0 [0,2,0,0,0,0|0,0,2]=4 293 B10R0.91 CCCCCC(=O)OCSC CNP0354839.0 [0,2,0,0,0,0|0,0,2]=4 294 B10R0.91 CCCCOC(=O)CCCC CNP0085853.0 [0,2,0,0,0,0|0,0,2]=4 295 B10R0.108 CCOC(=O)CCC(=O)C=O CNP0237833.0 [0,2,0,0,0,0|0,0,0]=2 296 B10R0.108 CCOC(=O)CNC(=O)CN CNP0593562.0 [0,2,0,0,0,0|1,0,1]=4 297 B10R0.21 C=CCOC(=O)C(CC)CC CNP0215688.0 [0,2,0,0,0,0|2,0,0]=4 298 B10R0.35 CCOC(=O)C(O)C(C)CC CNP0296108.0 [0,2,0,0,0,0|0,0,2]=4 299 B10R0.78 C=CCOC(=O)CCC(=O)C CNP0609110.0 [0,2,0,0,0,0|0,0,2]=4 300 B10R0.78 CCCCC(=O)OCC(C)C CNP0437103.0 [0,2,0,0,0,0|0,0,2]=4 301 B10R0.78 CCCOC(=O)CCC(=O)C CNP0002391.0 [0,2,0,0,0,0|0,0,1]=3 302 B10R0.7 CCOC(=O)C[C@](C)(O)CC CNP0284617.1 [0,2,0,0,0,0|0,0,2]=4 303 B10R0.26 CCOC(=O)CC(C)C(=O)O CNP0119918.0 [0,2,0,0,0,0|1,0,0]=3 304 B10R0.26 CCOC(=O)C[C@@H](O)C(=O)O CNP0340887.1 [0,2,0,0,0,0|1,0,0]=3 305 B10R0.109 CCOC(=O)CCS(=O)(=O)C CNP0414710.0 [0,2,0,0,0,0|1,0,1]=4 306 B8R1.2 CC[C@H]1C=CCCC1 CNP0103483.1 [1,0,0,1,0,0|1,0,1]=4 307 B8R1.2 O=CC1CC=CCC1 CNP0106039.0 [1,0,0,1,0,0|2,0,0]=4 308 B8R1.5 C=C1CCCCC1C CNP0595985.0 [1,0,0,1,0,0|1,0,1]=4 309 B8R1.11 CCC1=CCCC1=O CNP0033334.0 [1,0,0,1,0,0|2,0,0]=4 310 B8R1.49 C1#CCCC=CCC1 CNP0593767.0 [1,0,0,1,0,0|1,0,1]=4 311 B8R1.49 C1=CCCCCCC1 CNP0354381.0 [1,0,0,1,0,0|1,0,1]=4 312 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [1,0,0,1,0,0|2,0,0]=4 313 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [1,0,0,1,0,0|0,0,2]=4 314 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [1,0,0,1,0,0|1,0,1]=4 315 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [1,0,0,1,0,0|1,0,1]=4 316 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [1,0,0,1,0,0|0,0,2]=4 317 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [1,0,0,1,0,0|0,0,2]=4 318 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [1,0,0,1,0,0|1,0,1]=4 319 B8R1.3 O=C1CCC(=O)CC1 CNP0521419.0 [1,0,0,1,0,0|1,0,0]=3 320 B8R1.3 O=C1CCC(=O)OC1 CNP0357956.0 [1,0,0,1,0,0|1,0,0]=3 321 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [1,0,0,1,0,0|0,0,2]=4 322 B8R1.50 CC1C(=O)CCC1=O CNP0193836.0 [1,0,0,1,0,0|1,0,0]=3 323 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [1,0,0,1,0,0|0,0,2]=4 324 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [1,0,0,1,0,0|1,0,1]=4 325 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [1,0,0,1,0,0|0,0,1]=3 326 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [1,0,0,1,0,0|0,0,2]=4 327 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [1,0,0,1,0,0|1,0,1]=4 328 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [1,0,0,1,0,0|0,0,1]=3 329 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [1,0,0,1,0,0|0,0,2]=4 330 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [1,0,0,1,0,0|1,0,1]=4 331 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [1,0,0,1,0,0|0,0,1]=3 332 B8R1.4 O=C1C=C(CCO1)O CNP0610564.0 [1,0,0,1,0,0|1,0,1]=4 333 B8R1.18 C=C1CC(=O)OC1=O CNP0331229.0 [1,0,0,1,0,0|1,0,1]=4 334 B8R1.18 CC1OC(=O)OC1C CNP0571376.0 [1,0,0,1,0,0|1,0,1]=4 335 B8R1.18 C[C@@H]1CC(=O)O[C@@H]1O CNP0514766.1 [1,0,0,1,0,0|1,0,1]=4 336 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [1,0,0,1,0,0|0,0,1]=3 337 B8R1.18 C[C@@H]1OC(=O)C=C1O CNP0159681.2 [1,0,0,1,0,0|1,0,1]=4 338 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [1,0,0,1,0,0|0,0,1]=3 339 B8R1.18 C[C@H]1OC(=O)C=C1O CNP0159681.1 [1,0,0,1,0,0|1,0,1]=4 340 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [1,0,0,1,0,0|1,0,0]=3 341 B10R1.120 CC1(OC(=O)CC[C@@H]1O)C CNP0280120.1 [0,1,0,1,0,0|1,0,1]=4 342 B10R1.330 O=C1CCC(=O)CC(C1)O CNP0144196.0 [0,1,0,1,0,0|2,0,0]=4 343 B10R1.10 CC=CC1=CC(=O)OCC1 CNP0430897.0 [0,1,0,1,0,0|0,0,2]=4 344 B10R1.10 CCC=C1CCOC(=O)C1 CNP0206629.0 [0,1,0,1,0,0|0,0,2]=4 345 B10R1.10 CCOC1=CC(=O)CCC1 CNP0056254.0 [0,1,0,1,0,0|1,0,1]=4 346 B10R1.11 CCOC(=O)C1=CC=CN1 CNP0153288.0 [0,1,0,1,0,0|0,0,2]=4 347 B10R1.11 CCOC(=O)C1=CC=CO1 CNP0247126.0 [0,1,0,1,0,0|0,0,2]=4 348 B10R1.11 CCOC(=O)C1=COC=C1 CNP0228529.0 [0,1,0,1,0,0|0,0,2]=4 349 B10R1.11 CCOC(=O)C1=NNC=C1 CNP0017794.0 [0,1,0,1,0,0|1,0,1]=4 350 B10R1.11 CCOC(=O)N1C=CN=C1 CNP0182750.0 [0,1,0,1,0,0|1,0,1]=4 351 B10R1.11 CCOC(=O)[C@@H]1CCNC1 CNP0206039.2 [0,1,0,1,0,0|0,0,2]=4 352 B10R1.11 CCOC(=O)[C@H]1CCNC1 CNP0206039.1 [0,1,0,1,0,0|0,0,2]=4 353 B10R1.21 C=CCCC=C1CCCC1 CNP0519734.0 [0,1,0,1,0,0|2,0,0]=4 354 B10R1.29 C=CCCC1CCOC1=O CNP0609800.0 [0,1,0,1,0,0|0,0,0]=2 355 B10R1.29 CCCCC1CCOC1=O CNP0086360.0 [0,1,0,1,0,0|0,0,2]=4 356 B10R1.78 O=C1CCC=CCCCC1 CNP0611873.0 [0,1,0,1,0,0|1,0,0]=3 357 B10R1.79 CC1=CCCC(=CCC1)C CNP0612141.0 [0,1,0,1,0,0|2,0,0]=4 358 B10R1.135 CCOC(=O)C1CC1CO CNP0490095.0 [0,1,0,1,0,0|0,0,2]=4 359 B10R1.197 CC=C1CCC=C(CC1)C CNP0532842.0 [0,1,0,1,0,0|2,0,0]=4 360 B10R1.30 CCC1=C[C@@H](CCC1=O)O CNP0306818.1 [0,1,0,1,0,0|1,0,1]=4 361 B10R1.332 O=C1CCC(C(CO1)O)O CNP0245181.0 [0,1,0,1,0,0|1,0,1]=4 362 B10R1.4 CCCC1CCCOC1=O CNP0416617.0 [0,1,0,1,0,0|0,0,2]=4 363 B10R1.256 C[C@@H]1C(=O)O[C@@H]([C@H]1CO)C CNP0104665.1 [0,1,0,1,0,0|1,0,1]=4 364 B10R1.256 C[C@@H]1OC(=O)[C@@H]([C@H]1CO)C CNP0104665.2 [0,1,0,1,0,0|1,0,1]=4 365 B10R1.485 C=C[C@@]1(CCOC(=O)C1)O CNP0311946.1 [0,1,0,1,0,0|0,0,0]=2 366 B10R1.485 C=C[C@]1(CCOC(=O)C1)O CNP0311946.2 [0,1,0,1,0,0|0,0,0]=2 367 B10R1.118 C[C@@H]1C[C@H]([C@@H](OC1=O)C)C CNP0283141.1 [0,1,0,1,0,0|0,0,2]=4 368 B10R1.64 CC(=O)N[C@H]1CCOC1=O CNP0535066.1 [0,1,0,1,0,0|1,0,1]=4 369 B10R1.107 CC(=O)N[C@@H]1C(=O)O[C@@H]1C CNP0213056.1 [0,1,0,1,0,0|1,0,1]=4 370 B10R1.107 CC(=O)N[C@H]1C(=O)O[C@H]1C CNP0213056.2 [0,1,0,1,0,0|1,0,1]=4 371 B10R1.113 C=C(C)[C@@H]1CCC=C(C1)C CNP0173733.2 [0,1,0,1,0,0|2,0,0]=4 372 B10R1.113 C=C(C)[C@H]1CCC=C(C1)C CNP0173733.1 [0,1,0,1,0,0|2,0,0]=4 373 B10R1.113 O=C1CCCC(C1)C(=O)O CNP0612018.0 [0,1,0,1,0,0|2,0,0]=4 374 B10R2.62 O=C1CC2C=CC1CC2 CNP0334741.0 [0,0,0,2,0,0|1,0,0]=3 375 B10R2.71 O=C1C[C@H]2C=C[C@@H](C1)C2 CNP0061415.1 [0,0,0,2,0,0|1,0,0]=3