0 B7R0.7 C=CCC(O)CCC JZ2295 [0,0,0,0,0,0|1,1,1]=3 1 B7R0.7 CC(CCBr)CCBr XJ2711 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.7 CC(CCO)CCO XJ2710 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.7 CCCC(=O)OCCl LQ4784 [0,0,0,0,0,0|2,1,1]=4 4 B7R0.7 CCCC(Br)CCC HL0633 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.7 CCCN(C)CCC HL2547 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.7 CCCS(=O)CCC LQ2622 [0,0,0,0,0,0|2,1,0]=3 7 B7R0.7 CCOC(=O)CCCl XJ1154 [0,0,0,0,0,0|2,1,1]=4 8 B7R0.7 CCOC(=O)CCN LT4188 [0,0,0,0,0,0|2,1,1]=4 9 B7R0.7 CCOC(=O)CCS LQ2910 [0,0,0,0,0,0|1,2,1]=4 10 B7R0.7 CN(CCCl)CCCl LQ0036 [0,0,0,0,0,0|4,0,0]=4 11 B7R0.7 CN(CCO)CCO RT1442 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.7 CN(CCO)CCO XJ0326 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.7 COCC(O)COC XJ1152 [0,0,0,0,0,0|3,1,0]=4 14 B7R0.7 C\C=C\C(O)CCC JZ2612 [0,0,0,0,0,0|1,1,2]=4 15 B7R0.7 O=C(CCBr)CCBr YH33973 [0,0,0,0,0,0|2,1,1]=4 16 B7R0.7 O=C(CCCl)CCCl JZ2373 [0,0,0,0,0,0|2,1,1]=4 17 B6R0.1 BrCCC(Br)CBr LQ4943 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.1 C#CC(C)CCC LQ5005 [1,0,0,0,0,0|1,0,2]=4 19 B6R0.1 C#CC(O)CCC XJ0311 [1,0,0,0,0,0|0,1,2]=4 20 B6R0.1 C=CC(N)CCO YH91593 [1,0,0,0,0,0|1,0,2]=4 21 B6R0.1 CCC(=O)CSC JZ4808 [1,0,0,0,0,0|1,1,1]=4 22 B6R0.1 CCC(C)CC=O JZ5060 [1,0,0,0,0,0|1,0,2]=4 23 B6R0.1 CCC(C)CCO HL0061 [1,0,0,0,0,0|1,0,0]=2 24 B6R0.1 CCC(C)CCO LL2797 [1,0,0,0,0,0|1,0,0]=2 25 B6R0.1 CCC(C)CCO LQ4221 [1,0,0,0,0,0|1,0,0]=2 26 B6R0.1 CCCC(=O)CC HL0062 [1,0,0,0,0,0|0,1,1]=3 27 B6R0.1 CCCC(=O)OC XJ1144 [1,0,0,0,0,0|1,1,1]=4 28 B6R0.1 CCCC(=O)SC XJ2150 [1,0,0,0,0,0|1,1,1]=4 29 B6R0.1 CCCC(Br)CBr JZ2283 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.1 CCCC(C)C#N YH11272 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.1 CCCC(C)CC HL0060 [1,0,0,0,0,0|1,0,0]=2 32 B6R0.1 CCC\C(N)=N\O XJ4957 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.1 CCSC(=O)CC LT5718 [1,0,0,0,0,0|1,1,1]=4 34 B6R0.1 CNCC(O)CO LT2424 [1,0,0,0,0,0|1,1,0]=3 35 B6R0.1 COCC(O)CCl HL2667 [1,0,0,0,0,0|2,1,0]=4 36 B6R0.1 COCC(O)CO LT2370 [1,0,0,0,0,0|1,1,0]=3 37 B6R0.1 COC[C@@H](N)CO LX2569 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.1 N[C@H](CS)CCS RT1463 [1,0,0,0,0,0|2,1,0]=4 39 B6R0.1 OCC[C@@H](O)CO YH14636 [1,0,0,0,0,0|1,1,0]=3 40 B6R0.1 OCC[C@H](O)CO LQ5089 [1,0,0,0,0,0|1,1,0]=3 41 B6R0.6 BrCCNCCBr RT17682 [1,0,0,0,0,0|3,0,0]=4 42 B6R0.6 BrCCOCCBr HL2958 [1,0,0,0,0,0|3,0,0]=4 43 B6R0.6 C#CCCCCC HL0285 [1,0,0,0,0,0|1,0,1]=3 44 B6R0.6 C#CCCCCO LQ1526 [1,0,0,0,0,0|0,0,2]=3 45 B6R0.6 C=CCCCCCl LQ1525 [1,0,0,0,0,0|1,0,2]=4 46 B6R0.6 CCCC#CCO XJ1342 [1,0,0,0,0,0|0,0,2]=3 47 B6R0.6 CCCCCC#N HL0286 [1,0,0,0,0,0|1,0,1]=3 48 B6R0.6 CCCCCCCl HL1956 [1,0,0,0,0,0|1,0,0]=2 49 B6R0.6 CCCCCCI JZ4066 [1,0,0,0,0,0|1,0,0]=2 50 B6R0.6 CCCCCCO XJ0385 [1,0,0,0,0,0|0,0,0]=1 51 B6R0.6 CCCCCCS XJ0387 [1,0,0,0,0,0|0,1,0]=2 52 B6R0.6 CCCCCNC LT5645 [1,0,0,0,0,0|2,0,0]=3 53 B6R0.6 CCCCC[Mg]Cl JZ2964 [1,0,0,0,0,0|2,0,0]=3 54 B6R0.6 CCCCN=C=S HL0124 [1,0,0,0,0,0|1,1,1]=4 55 B6R0.6 CCCCOCC HL0289 [1,0,0,0,0,0|2,0,0]=3 56 B6R0.6 CCCCOCCl LT4489 [1,0,0,0,0,0|2,0,0]=3 57 B6R0.6 CCCCSC#N HL0290 [1,0,0,0,0,0|2,0,1]=4 58 B6R0.6 CCCCSCC JZ4067 [1,0,0,0,0,0|2,0,0]=3 59 B6R0.6 CCCNCCC RT1163 [1,0,0,0,0,0|2,0,0]=3 60 B6R0.6 CCCSSCC LT5405 [1,0,0,0,0,0|3,0,0]=4 61 B6R0.6 CCC\C=C/CO LQ1528 [1,0,0,0,0,0|0,0,2]=3 62 B6R0.6 CCNCCC#N RT4893 [1,0,0,0,0,0|2,0,1]=4 63 B6R0.6 CCNCCCN HL4191 [1,0,0,0,0,0|2,0,0]=3 64 B6R0.6 CCOCCC#N LQ3792 [1,0,0,0,0,0|2,0,1]=4 65 B6R0.6 CCOCCC#N LT2930 [1,0,0,0,0,0|2,0,1]=4 66 B6R0.6 CCOCCCCl XJ5236 [1,0,0,0,0,0|2,0,0]=3 67 B6R0.6 CCOCCOC LQ2802 [1,0,0,0,0,0|3,0,0]=4 68 B6R0.6 CCSCSCC RT19812 [1,0,0,0,0,0|3,0,0]=4 69 B6R0.6 CC\C=C/CCO LT4581 [1,0,0,0,0,0|0,0,2]=3 70 B6R0.6 CC\C=C\CCC HL0123 [1,0,0,0,0,0|1,0,2]=4 71 B6R0.6 CNCCCNC XJ0389 [1,0,0,0,0,0|3,0,0]=4 72 B6R0.6 CSCCCSC LQ4459 [1,0,0,0,0,0|3,0,0]=4 73 B6R0.6 C\C=C\CCCO XJ3000 [1,0,0,0,0,0|0,0,2]=3 74 B6R0.6 ClCCCCCI XJ5888 [1,0,0,0,0,0|2,0,0]=3 75 B6R0.6 ClCCNCCCl LQ1470 [1,0,0,0,0,0|3,0,0]=4 76 B6R0.6 ClCCOCCI YH66175 [1,0,0,0,0,0|3,0,0]=4 77 B6R0.6 ICCCCCI HL0288 [1,0,0,0,0,0|2,0,0]=3 78 B6R0.6 N#CCCCCBr HL2959 [1,0,0,0,0,0|2,0,1]=4 79 B6R0.6 NCCCCCBr RT0436 [1,0,0,0,0,0|2,0,0]=3 80 B6R0.6 NCCCCCN LQ0829 [1,0,0,0,0,0|2,0,0]=3 81 B6R0.6 NCCCCCO HL2296 [1,0,0,0,0,0|1,0,0]=2 82 B6R0.6 NCCNCCN XJ0391 [1,0,0,0,0,0|3,0,0]=4 83 B6R0.6 NCCNCCO JZ0125 [1,0,0,0,0,0|2,0,0]=3 84 B6R0.6 NCCOCCO LQ1534 [1,0,0,0,0,0|2,0,0]=3 85 B6R0.6 O=CCCCCO YH66094 [1,0,0,0,0,0|1,0,1]=3 86 B6R0.6 OCCCCCCl JZ2653 [1,0,0,0,0,0|1,0,0]=2 87 B6R0.6 OCCNCCO LT7673 [1,0,0,0,0,0|2,0,0]=3 88 B6R0.6 OCCOCCCl JZ0962 [1,0,0,0,0,0|2,0,0]=3 89 B6R0.6 OCCSCCO XJ0395 [1,0,0,0,0,0|2,0,0]=3 90 B6R0.6 SCCSCCS JZ2349 [1,0,0,0,0,0|2,1,0]=4 91 B8R0.1 C=CCC(O)CCCC LQ5051 [0,1,0,0,0,0|1,1,1]=4 92 B8R0.1 CCCCN(C)CCN XJ4506 [0,1,0,0,0,0|3,0,0]=4 93 B8R0.1 CCCOC(=O)CCC XJ0331 [0,1,0,0,0,0|1,1,1]=4 94 B8R0.3 CCCC(O)C(C)CC HL2017 [0,1,0,0,0,0|1,1,0]=3 95 B8R0.3 CCCC(O)C(O)CO HL4890 [0,1,0,0,0,0|0,1,0]=2 96 B8R0.3 CCOC(=O)C(N)CO YH58945 [0,1,0,0,0,0|1,1,1]=4 97 B8R0.3 CCOC(=O)[C@@H](N)CO LQ4499 [0,1,0,0,0,0|1,1,1]=4 98 B8R0.3 O=CC[C@H](O)[C@H](O)CO LT6525 [0,1,0,0,0,0|1,1,1]=4 99 B8R0.5 CCCC(O)CC(=O)O RT0532 [0,1,0,0,0,0|0,1,1]=3 100 B8R0.5 CCOC(=O)CC(C)O HL2936 [0,1,0,0,0,0|1,1,1]=4 101 B8R0.22 CCCC(C=O)CCC RT0259 [0,1,0,0,0,0|1,1,0]=3 102 B8R0.22 CCCN(CCC)N=O RT1151 [0,1,0,0,0,0|2,1,0]=4 103 B8R0.22 CCN(CCO)CCO XJ0542 [0,1,0,0,0,0|3,0,0]=4 104 B8R0.22 O=NN(CCO)CCO RT4843 [0,1,0,0,0,0|2,1,0]=4 105 B8R0.30 C=CCC(C)(O)CCC JZ4429 [0,1,0,0,0,0|1,1,1]=4 106 B8R0.30 CCC[Si](Cl)(Cl)CCC HL2195 [0,1,0,0,0,0|2,1,0]=4 107 B8R0.30 CCC[Sn](Cl)(Cl)CCC RT1177 [0,1,0,0,0,0|3,0,0]=4 108 B8R0.30 C[N+](C)(CCO)CCF YH65357 [0,1,0,0,0,0|3,0,0]=4 109 B8R1.4 CC1CCCC(C)C1 HL0097 [0,0,0,1,0,0|2,0,0]=3 110 B8R1.4 CC1CCCC(O)C1 HL0098 [0,0,0,1,0,0|1,0,0]=2 111 B8R1.4 CC1CNCC(C)C1 LQ4869 [0,0,0,1,0,0|3,0,0]=4 112 B8R1.4 CN1CCCC(N)C1 LT0403 [0,0,0,1,0,0|3,0,0]=4 113 B8R1.4 CN1CCCC(O)C1 JZ2330 [0,0,0,1,0,0|2,0,0]=3 114 B8R1.4 C[C@H]1CC(=O)CCO1 YH66361 [0,0,0,1,0,0|0,1,1]=3 115 B8R1.4 C[C@H]1CCC[C@@H](O)C1 LQ4462 [0,0,0,1,0,0|1,0,0]=2 116 B8R1.4 C[C@H]1CCC[C@H](C)N1 XJ1360 [0,0,0,1,0,0|3,0,0]=4 117 B8R1.4 NC1CCCC(=O)C1 YH35862 [0,0,0,1,0,0|1,0,2]=4 118 B8R1.4 NC1CCCC(O)C1 JZ2994 [0,0,0,1,0,0|1,0,0]=2 119 B8R1.4 O=C1CC(O)CCN1 HL4116 [0,0,0,1,0,0|1,1,1]=4 120 B8R1.4 OC1CCCC(O)C1 XJ0873 [0,0,0,1,0,0|0,1,0]=2 121 B8R1.8 BrCCC1OCCO1 LQ4089 [0,0,0,1,0,0|2,1,0]=4 122 B8R1.8 BrCCN1CCCC1 LX2478 [0,0,0,1,0,0|3,0,0]=4 123 B8R1.8 BrCCN1CCCC1 YH06128 [0,0,0,1,0,0|3,0,0]=4 124 B8R1.8 C#CCC1CCCC1 HL3291 [0,0,0,1,0,0|2,0,1]=4 125 B8R1.8 CCOC1CCCO1 XJ3908 [0,0,0,1,0,0|2,1,0]=4 126 B8R1.8 ClCCN1CCCC1 HL2871 [0,0,0,1,0,0|3,0,0]=4 127 B8R1.8 ClCCN1CCCC1 LQ3213 [0,0,0,1,0,0|3,0,0]=4 128 B8R1.8 N#CCC1CCCC1 LQ1738 [0,0,0,1,0,0|2,0,1]=4 129 B8R1.8 NCCC1OCCO1 XJ2993 [0,0,0,1,0,0|2,1,0]=4 130 B8R1.8 O=CCC1CCCC1 RT17688 [0,0,0,1,0,0|1,0,2]=4 131 B8R1.8 O=CCC1CCCO1 RT17487 [0,0,0,1,0,0|0,1,2]=4 132 B8R1.8 O=CCC1CCOC1 RT15000 [0,0,0,1,0,0|2,0,1]=4 133 B8R1.8 OCCC1CCNC1 YH96359 [0,0,0,1,0,0|2,0,0]=3 134 B8R1.8 OCCN1CCCC1 JZ2200 [0,0,0,1,0,0|2,0,0]=3 135 B8R1.11 CCC1CCCC1=O XJ2821 [0,0,0,1,0,0|1,1,1]=4 136 B8R1.11 C[C@H]1CNC[C@@H]1CO YH97380 [0,0,0,1,0,0|2,0,0]=3 137 B8R1.11 OC[C@@H]1CC=C[C@@H]1O RT18647 [0,0,0,1,0,0|0,1,2]=4 138 B8R1.22 CC1CCCCCN1 RT15388 [0,0,0,1,0,0|3,0,0]=4 139 B8R1.22 CC1CCCNCC1 RT15402 [0,0,0,1,0,0|2,0,0]=3 140 B8R1.22 CN1CCCNCC1 LQ2672 [0,0,0,1,0,0|3,0,0]=4 141 B8R1.22 NC1CCCCCC1 LQ2890 [0,0,0,1,0,0|2,0,0]=3 142 B8R1.22 NC1CCCCNC1 YH66537 [0,0,0,1,0,0|3,0,0]=4 143 B8R1.22 NN1CCCCCC1 LT0330 [0,0,0,1,0,0|3,0,0]=4 144 B8R1.22 O=C1CCCCCC1 LT4672 [0,0,0,1,0,0|1,1,1]=4 145 B8R1.22 O=C1CCCNCC1 XJ5502 [0,0,0,1,0,0|1,1,1]=4 146 B8R1.22 OC1CCCCCC1 XJ0857 [0,0,0,1,0,0|1,1,0]=3 147 B5R0.1 CC(Br)CCBr HL1367 [2,0,0,0,0,0|2,0,0]=4 148 B5R0.1 CC(C)CCCl HL1371 [2,0,0,0,0,0|2,0,0]=4 149 B5R0.1 CC(C)CCI XJ0935 [2,0,0,0,0,0|2,0,0]=4 150 B5R0.1 CCCC(C)C HL1370 [2,0,0,0,0,0|1,0,0]=3 151 B5R0.1 CCCC(C)C HL4500 [2,0,0,0,0,0|1,0,0]=3 152 B5R0.1 CCC[C@H](C)O LQ4668 [2,0,0,0,0,0|0,1,0]=3 153 B5R0.1 CN(C)CCO HL1383 [2,0,0,0,0,0|2,0,0]=4 154 B5R0.1 COCC(C)N XJ5266 [2,0,0,0,0,0|2,0,0]=4 155 B5R0.1 COC[C@H](C)N XJ6713 [2,0,0,0,0,0|2,0,0]=4 156 B5R0.1 C[C@@H](N)CCO RT0497 [2,0,0,0,0,0|1,0,0]=3 157 B5R0.1 C[C@@H](O)CCO SY0267 [2,0,0,0,0,0|0,1,0]=3 158 B5R0.2 BrCCCCBr RT17667 [2,0,0,0,0,0|2,0,0]=4 159 B5R0.2 C#CCCCC LQ1326 [2,0,0,0,0,0|0,0,2]=4 160 B5R0.2 C#CCCCO XJ2908 [2,0,0,0,0,0|0,0,2]=4 161 B5R0.2 CCCCC#N LL0427 [2,0,0,0,0,0|1,0,1]=4 162 B5R0.2 CCCCCI HL0274 [2,0,0,0,0,0|1,0,0]=3 163 B5R0.2 CCCCNC LL0434 [2,0,0,0,0,0|1,0,0]=3 164 B5R0.2 CCCCSC HL0277 [2,0,0,0,0,0|1,0,0]=3 165 B5R0.2 CCCC[SnH]=O LQ5214 [2,0,0,0,0,0|1,0,1]=4 166 B5R0.2 CCCOCCl JZ2364 [2,0,0,0,0,0|2,0,0]=4 167 B5R0.2 CCCSCC LT5403 [2,0,0,0,0,0|1,0,0]=3 168 B5R0.2 CCNCCO LL0439 [2,0,0,0,0,0|1,0,0]=3 169 B5R0.2 CCNNCC LQ3339 [2,0,0,0,0,0|2,0,0]=4 170 B5R0.2 CCOCCBr HL0120 [2,0,0,0,0,0|2,0,0]=4 171 B5R0.2 CCOCCCl HL0279 [2,0,0,0,0,0|2,0,0]=4 172 B5R0.2 CCOCCO LL0444 [2,0,0,0,0,0|1,0,0]=3 173 B5R0.2 CC\C=C\CC JZ3712 [2,0,0,0,0,0|0,0,2]=4 174 B5R0.2 CNCCNC LL0436 [2,0,0,0,0,0|2,0,0]=4 175 B5R0.2 CNCCOC LQ4938 [2,0,0,0,0,0|2,0,0]=4 176 B5R0.2 COCCCCl LQ4914 [2,0,0,0,0,0|2,0,0]=4 177 B5R0.2 COCCCN LT2986 [2,0,0,0,0,0|2,0,0]=4 178 B5R0.2 CSCCCN XJ2622 [2,0,0,0,0,0|2,0,0]=4 179 B5R0.2 CSCCCO XJ0883 [2,0,0,0,0,0|1,0,0]=3 180 B5R0.2 C\C=C\CCC XJ2577 [2,0,0,0,0,0|0,0,2]=4 181 B5R0.2 ClCCCCI XJ3625 [2,0,0,0,0,0|2,0,0]=4 182 B5R0.2 ICCCCI HL0276 [2,0,0,0,0,0|2,0,0]=4 183 B5R0.2 NCCCCCl JZ1120 [2,0,0,0,0,0|2,0,0]=4 184 B5R0.2 NCCCCN LL0428 [2,0,0,0,0,0|2,0,0]=4 185 B5R0.2 NCCCCO XJ3835 [2,0,0,0,0,0|1,0,0]=3 186 B5R0.2 OCCCCCl LQ1521 [2,0,0,0,0,0|1,0,0]=3 187 B5R0.2 OCCCCF RT1165 [2,0,0,0,0,0|1,0,0]=3 188 B5R0.2 OCCOCCl RT1169 [2,0,0,0,0,0|2,0,0]=4 189 B5R0.3 C=C(CC)CC XJ1324 [2,0,0,0,0,0|1,0,1]=4 190 B5R0.3 CC(CO)CO JZ1881 [2,0,0,0,0,0|2,0,0]=4 191 B5R0.3 CCC(Br)CC XJ1961 [2,0,0,0,0,0|1,0,0]=3 192 B5R0.3 CCC(C)CBr LQ2987 [2,0,0,0,0,0|2,0,0]=4 193 B5R0.3 CCC(C)CBr LQ3410 [2,0,0,0,0,0|2,0,0]=4 194 B5R0.3 CCC(C)CC LL0223 [2,0,0,0,0,0|1,0,0]=3 195 B5R0.3 CCC(C)CCl LQ1182 [2,0,0,0,0,0|2,0,0]=4 196 B5R0.3 CCC(C)CO LL0587 [2,0,0,0,0,0|1,0,0]=3 197 B5R0.3 CCC(C)NC LQ3344 [2,0,0,0,0,0|2,0,0]=4 198 B5R0.3 CCC(Cl)CCl LQ1184 [2,0,0,0,0,0|2,0,0]=4 199 B5R0.3 CCC(N)CC LQ1186 [2,0,0,0,0,0|1,0,0]=3 200 B5R0.3 CCC(N)CO LL0227 [2,0,0,0,0,0|1,0,0]=3 201 B5R0.3 CCC(S)CS XJ4247 [2,0,0,0,0,0|0,1,0]=3 202 B5R0.3 CCN(C)CC LQ1190 [2,0,0,0,0,0|2,0,0]=4 203 B5R0.3 CCN(O)CC HL2577 [2,0,0,0,0,0|1,1,0]=4 204 B5R0.3 CC[C@@H](C)CO LQ1183 [2,0,0,0,0,0|1,0,0]=3 205 B5R0.3 CC[C@@H](O)CO LQ5013 [2,0,0,0,0,0|0,1,0]=3 206 B5R0.3 CC[C@H](C)CBr LL0949 [2,0,0,0,0,0|2,0,0]=4 207 B5R0.3 CC[C@H](O)CO HL4502 [2,0,0,0,0,0|0,1,0]=3 208 B5R0.3 NC(CO)CO LL1303 [2,0,0,0,0,0|2,0,0]=4 209 B5R0.3 NCC(O)CO JZ0486 [2,0,0,0,0,0|1,1,0]=4 210 B5R0.3 NC[C@H](O)CO YH09994 [2,0,0,0,0,0|1,1,0]=4 211 B5R0.3 NC[C@H](O)CO YH45696 [2,0,0,0,0,0|1,1,0]=4 212 B5R0.3 OCC(Br)CBr LL0222 [2,0,0,0,0,0|2,0,0]=4 213 B5R0.3 OCC(Br)CO RT0384 [2,0,0,0,0,0|2,0,0]=4 214 B5R0.3 OCC(Cl)CCl LQ1185 [2,0,0,0,0,0|2,0,0]=4 215 B5R0.3 OCC(Cl)CO RT1084 [2,0,0,0,0,0|2,0,0]=4 216 B5R0.3 OCC(O)CBr RT0218 [2,0,0,0,0,0|1,1,0]=4 217 B5R0.3 OCC(O)CCl LL0230 [2,0,0,0,0,0|1,1,0]=4 218 B5R0.3 OCC(O)CI RT1254 [2,0,0,0,0,0|1,1,0]=4 219 B5R0.3 OCC(O)CO LT6375 [2,0,0,0,0,0|1,1,0]=4 220 B5R0.3 OCC(O)CO RT14397 [2,0,0,0,0,0|1,1,0]=4 221 B5R0.3 OCC(O)CO XJ4849 [2,0,0,0,0,0|1,1,0]=4 222 B5R0.3 OCC(O)CS LL0232 [2,0,0,0,0,0|1,1,0]=4 223 B5R0.3 OC[C@H](O)CBr YH33404 [2,0,0,0,0,0|1,1,0]=4 224 B5R0.3 OC[C@H](O)CCl LT5275 [2,0,0,0,0,0|1,1,0]=4 225 B5R0.3 O[13CH2][13CH](O)[13CH2]O RT1008 [2,0,0,0,0,0|1,1,0]=4 226 B7R0.2 CC(C)C[C@@H](N)CO LT4736 [1,1,0,0,0,0|1,0,0]=3 227 B7R0.2 CCC(C)CC(C)C XJ0315 [1,1,0,0,0,0|1,0,0]=3 228 B7R0.2 CCC(N)CC(=O)O YH66442 [1,1,0,0,0,0|1,0,1]=4 229 B7R0.2 CC[C@@H](N)CC(=O)O YH31614 [1,1,0,0,0,0|1,0,1]=4 230 B7R0.2 CC[C@H](C)CC(=O)O LX2881 [1,1,0,0,0,0|1,0,1]=4 231 B7R0.2 CC[C@H](C)CC(=O)O YH39271 [1,1,0,0,0,0|1,0,1]=4 232 B7R0.2 CC[C@H](N)CC(=O)O YH34687 [1,1,0,0,0,0|1,0,1]=4 233 B7R0.2 CN(C)CC(O)CO JZ0329 [1,1,0,0,0,0|1,1,0]=4 234 B7R0.2 [C@@H](N)(CO)CC(C)C JZ1582 [1,1,0,0,0,0|1,0,0]=3 235 B7R0.3 CCC#CC(O)CC XJ5066 [1,1,0,0,0,0|0,1,1]=4 236 B7R0.3 CCCCC(=O)CC XJ0362 [1,1,0,0,0,0|0,1,1]=4 237 B7R0.3 CCCCC(C)CC HL0067 [1,1,0,0,0,0|1,0,0]=3 238 B7R0.3 CCCCC(O)CO RT17609 [1,1,0,0,0,0|0,1,0]=3 239 B7R0.3 CCOCC(O)CCl HL2668 [1,1,0,0,0,0|1,1,0]=4 240 B7R0.3 COCO[C@@H](C)CO CJ3006 [1,1,0,0,0,0|2,0,0]=4 241 B7R0.3 COCO[C@H](C)CO CJ2789 [1,1,0,0,0,0|2,0,0]=4 242 B7R0.5 CCCC(C)C(=O)O LL0280 [1,1,0,0,0,0|1,0,1]=4 243 B7R0.5 CCCC(O)C(C)C LQ1202 [1,1,0,0,0,0|0,1,0]=3 244 B7R0.5 CCC[C@H](C)C(=O)O RT0270 [1,1,0,0,0,0|1,0,1]=4 245 B7R0.5 CCC[C@H](N)C(=O)O LT7574 [1,1,0,0,0,0|1,0,1]=4 246 B7R0.10 CCC(C)C(N)CO LT7578 [1,1,0,0,0,0|1,0,0]=3 247 B7R0.10 OC[C@H](O)[C@H](O)CO LT7467 [1,1,0,0,0,0|1,1,0]=4 248 B7R0.11 CCCC(C)(Cl)CC LQ5130 [1,1,0,0,0,0|1,0,0]=3 249 B7R0.11 CCCC(C)(O)CC LQ1129 [1,1,0,0,0,0|0,1,0]=3 250 B7R0.11 CCS(=O)(=O)CCO HL1909 [1,1,0,0,0,0|1,1,0]=4 251 B7R0.11 COC(C)(C)CCO HL4652 [1,1,0,0,0,0|2,0,0]=4 252 B7R0.12 CCCC(CO)CO LT1803 [1,1,0,0,0,0|0,1,0]=3 253 B7R0.12 CCCN(CC)N=O RT17895 [1,1,0,0,0,0|1,1,0]=4 254 B7R0.12 CCN(CC)CCO HL1262 [1,1,0,0,0,0|2,0,0]=4 255 B7R0.12 CCN(CC)CCO LT5094 [1,1,0,0,0,0|2,0,0]=4 256 B7R0.1 C#CCCCCCC LQ1243 [1,1,0,0,0,0|1,0,0]=3 257 B7R0.1 C#CCCCCCO RT14015 [1,1,0,0,0,0|0,0,1]=3 258 B7R0.1 CCCC#CCCC JZ1797 [1,1,0,0,0,0|1,0,1]=4 259 B7R0.1 CCCCC#CCO HL0563 [1,1,0,0,0,0|0,0,1]=3 260 B7R0.1 CCCCCCC#N LQ1245 [1,1,0,0,0,0|1,0,0]=3 261 B7R0.1 CCCCCCCC XJ0405 [1,1,0,0,0,0|1,0,0]=3 262 B7R0.1 CCCCCCCCl LQ1244 [1,1,0,0,0,0|1,0,0]=3 263 B7R0.1 CCCCCCCN XJ0408 [1,1,0,0,0,0|1,0,0]=3 264 B7R0.1 CCCCCCCS HL0937 [1,1,0,0,0,0|0,1,0]=3 265 B7R0.1 CCCCCC[Mg]Cl LQ5137 [1,1,0,0,0,0|1,0,0]=3 266 B7R0.1 CCCCCN=C=O JZ2397 [1,1,0,0,0,0|0,0,2]=4 267 B7R0.1 CCCCCNCC JZ5218 [1,1,0,0,0,0|1,0,0]=3 268 B7R0.1 CCCCCON=O LQ0831 [1,1,0,0,0,0|1,0,1]=4 269 B7R0.1 CCCCNCCC LQ4205 [1,1,0,0,0,0|1,0,0]=3 270 B7R0.1 CCCCOCCO XJ0413 [1,1,0,0,0,0|0,0,0]=2 271 B7R0.1 CCCCSCC#N XJ6193 [1,1,0,0,0,0|1,0,1]=4 272 B7R0.1 CCCSSCCC LQ1250 [1,1,0,0,0,0|2,0,0]=4 273 B7R0.1 CCC\C=C/CCC LQ3284 [1,1,0,0,0,0|1,0,1]=4 274 B7R0.1 CCC\C=C/CCO JZ4690 [1,1,0,0,0,0|0,0,1]=3 275 B7R0.1 CCNCCNCC XJ0412 [1,1,0,0,0,0|2,0,0]=4 276 B7R0.1 CCOCCCCCl XJ5238 [1,1,0,0,0,0|1,0,0]=3 277 B7R0.1 CCOCCCCO LT2386 [1,1,0,0,0,0|0,0,0]=2 278 B7R0.1 CC\C=C/CCCO XJ3057 [1,1,0,0,0,0|0,0,1]=3 279 B7R0.1 COCCOCCCl YH05405 [1,1,0,0,0,0|2,0,0]=4 280 B7R0.1 COCCOCCO XJ0414 [1,1,0,0,0,0|1,0,0]=3 281 B7R0.1 C\C=C\CCCCC XJ0407 [1,1,0,0,0,0|1,0,1]=4 282 B7R0.1 ClCCCCCCI XJ5164 [1,1,0,0,0,0|1,0,0]=3 283 B7R0.1 FCCCCCCBr XJ0714 [1,1,0,0,0,0|1,0,0]=3 284 B7R0.1 ICCCCCCI LQ1246 [1,1,0,0,0,0|1,0,0]=3 285 B7R0.1 N#CCCCCCN XJ2152 [1,1,0,0,0,0|1,0,1]=4 286 B7R0.1 NCCCCCCBr RT0122 [1,1,0,0,0,0|1,0,0]=3 287 B7R0.1 NCCCCCCN RT0396 [1,1,0,0,0,0|1,0,0]=3 288 B7R0.1 NCCCNCCBr YH48383 [1,1,0,0,0,0|2,0,0]=4 289 B7R0.1 NCCCNCCN LQ3660 [1,1,0,0,0,0|2,0,0]=4 290 B7R0.1 NCCCNCCO XJ2715 [1,1,0,0,0,0|1,0,0]=3 291 B7R0.1 NCCCNCCS RT17267 [1,1,0,0,0,0|1,1,0]=4 292 B7R0.1 OCCCCCCCl LT3732 [1,1,0,0,0,0|0,0,0]=2 293 B7R0.1 OCCCCCCS HL0924 [1,1,0,0,0,0|0,0,0]=2 294 B7R0.1 OCCCNCCCl RT0430 [1,1,0,0,0,0|1,0,0]=3 295 B7R0.1 OCCSSCCO LQ1989 [1,1,0,0,0,0|2,0,0]=4 296 B7R0.1 OCC\C=C\CCO RT0115 [1,1,0,0,0,0|0,0,2]=4 297 B7R0.1 SCCCCCCS JZ4451 [1,1,0,0,0,0|0,1,0]=3 298 B7R0.1 [N-]=[N+]=NCCCCO RT18776 [1,1,0,0,0,0|2,0,0]=4 299 B7R0.4 C=CCCCC(C)C JZ3497 [1,1,0,0,0,0|1,0,1]=4 300 B7R0.4 CC(C)CCCC=O RT0513 [1,1,0,0,0,0|0,0,2]=4 301 B7R0.4 CC(C)CCCCO RT0516 [1,1,0,0,0,0|0,0,0]=2 302 B7R0.4 CC(C)OCCCN LT2607 [1,1,0,0,0,0|2,0,0]=4 303 B7R0.4 CCCCCC(C)C HL0115 [1,1,0,0,0,0|1,0,0]=3 304 B7R0.4 CCCCCC(C)N JZ2985 [1,1,0,0,0,0|1,0,0]=3 305 B7R0.4 CCCCCC(C)N XJ0515 [1,1,0,0,0,0|1,0,0]=3 306 B7R0.4 CCCCCC(N)=O HL0268 [1,1,0,0,0,0|0,0,2]=4 307 B7R0.4 CCCCC[C@H](C)O JZ2825 [1,1,0,0,0,0|0,0,0]=2 308 B7R0.4 CCCNCC(C)O RT1462 [1,1,0,0,0,0|1,0,0]=3 309 B7R0.4 CN(C)CCCCN JZ2305 [1,1,0,0,0,0|2,0,0]=4 310 B7R0.4 CNCCCC(=O)O RT0333 [1,1,0,0,0,0|1,0,1]=4 311 B7R0.4 CS(=O)CCCCN RT4961 [1,1,0,0,0,0|2,0,0]=4 312 B7R0.4 C[S@@](=O)CCCCN RT4965 [1,1,0,0,0,0|2,0,0]=4 313 B7R0.4 O=C(O)CCCCBr JZ0370 [1,1,0,0,0,0|1,0,1]=4 314 B7R0.4 O=C([O-])CCCCO YH65793 [1,1,0,0,0,0|1,0,1]=4 315 B9R0.5 CCCCCC(O)CCC LQ2960 [0,2,0,0,0,0|1,1,0]=4 316 B9R0.34 CCCC(O)CC(=O)OC RT1164 [0,2,0,0,0,0|0,1,1]=4 317 B9R0.48 CCCC(C)CCC(C)=O LQ5431 [0,2,0,0,0,0|1,0,1]=4 318 B9R0.66 CCCCC(C)(O)CCC JZ5568 [0,2,0,0,0,0|1,1,0]=4 319 B9R0.27 OC[C@H](O)[C@H](O)[C@H](O)CO LL0862 [0,2,0,0,0,0|1,1,0]=4 320 B9R0.37 CCCC(O)C(CC)CO LQ0253 [0,2,0,0,0,0|0,1,0]=3 321 B9R0.53 CC(C)CC(O)CC(C)C RT1220 [0,2,0,0,0,0|1,1,0]=4 322 B9R0.53 CC(C)C[C@H](N)CC(=O)O YH47842 [0,2,0,0,0,0|1,0,1]=4 323 B9R0.15 CCCC(CCC)C(=O)O HL1293 [0,2,0,0,0,0|1,1,0]=4 324 B9R0.17 CCCN(CCO)CCO RT3844 [0,2,0,0,0,0|1,1,0]=4 325 B7R1.1 BrCC1CCCO1 JZ4457 [1,0,0,1,0,0|1,1,0]=4 326 B7R1.1 CCC1=NCCC1 RT14089 [1,0,0,1,0,0|1,0,1]=4 327 B7R1.1 CCN1CCCC1 LQ3265 [1,0,0,1,0,0|2,0,0]=4 328 B7R1.1 CNC1CCOC1 YH51455 [1,0,0,1,0,0|2,0,0]=4 329 B7R1.1 COC1CCCC1 JZ2800 [1,0,0,1,0,0|2,0,0]=4 330 B7R1.1 NCC1CCCN1 YH08114 [1,0,0,1,0,0|2,0,0]=4 331 B7R1.1 OCC1CCCN1 RT14572 [1,0,0,1,0,0|1,0,0]=3 332 B7R1.1 OCC1CCCO1 YH98620 [1,0,0,1,0,0|0,1,0]=3 333 B7R1.1 OC[C@@H]1CCCN1 LT7573 [1,0,0,1,0,0|1,0,0]=3 334 B7R1.1 OC[C@@H]1CCCN1 LT7642 [1,0,0,1,0,0|1,0,0]=3 335 B7R1.1 OC[C@@H]1CCNC1 LL1852 [1,0,0,1,0,0|2,0,0]=4 336 B7R1.1 OC[C@H]1CCNC1 LL1853 [1,0,0,1,0,0|2,0,0]=4 337 B7R1.2 CC1CCC(=O)C1 XJ1883 [1,0,0,1,0,0|0,1,1]=4 338 B7R1.2 CC1CCC(C)O1 HL0575 [1,0,0,1,0,0|2,0,0]=4 339 B7R1.2 CN1CCC(O)C1 LX2405 [1,0,0,1,0,0|1,1,0]=4 340 B7R1.2 CN1CC[C@@H](N)C1 YH88427 [1,0,0,1,0,0|2,0,0]=4 341 B7R1.2 CN1CC[C@@H](O)C1 YH22686 [1,0,0,1,0,0|1,1,0]=4 342 B7R1.2 CN1CC[C@H](N)C1 YH66272 [1,0,0,1,0,0|2,0,0]=4 343 B7R1.2 CN1CC[C@H](O)C1 XJ6769 [1,0,0,1,0,0|1,1,0]=4 344 B7R1.2 N[C@@H]1CC[C@@H](O)C1 YH65478 [1,0,0,1,0,0|1,0,0]=3 345 B7R1.2 N[C@@H]1CC[C@H](F)C1 RT0640 [1,0,0,1,0,0|2,0,0]=4 346 B7R1.2 N[C@H]1CC[C@@H](O)C1 YH24807 [1,0,0,1,0,0|1,0,0]=3 347 B7R1.2 N[C@H]1CC[C@H](O)C1 YH65948 [1,0,0,1,0,0|1,0,0]=3 348 B7R1.3 BrC1CCOCC1 YH49891 [1,0,0,1,0,0|1,0,0]=3 349 B7R1.3 CC1CCCCC1 LQ0421 [1,0,0,1,0,0|1,0,0]=3 350 B7R1.3 CC1CCCCN1 LQ0427 [1,0,0,1,0,0|2,0,0]=4 351 B7R1.3 CC1CCNCC1 HL0233 [1,0,0,1,0,0|2,0,0]=4 352 B7R1.3 CC1COCCN1 YH00913 [1,0,0,1,0,0|2,0,0]=4 353 B7R1.3 CN1CCOCC1 LT7334 [1,0,0,1,0,0|2,0,0]=4 354 B7R1.3 C[C@@H]1CCCCN1 YH66554 [1,0,0,1,0,0|2,0,0]=4 355 B7R1.3 C[C@@H]1COCCN1 XJ6283 [1,0,0,1,0,0|2,0,0]=4 356 B7R1.3 C[C@@H]1COCCN1 YH65950 [1,0,0,1,0,0|2,0,0]=4 357 B7R1.3 C[C@H]1CCCCN1 JZ2253 [1,0,0,1,0,0|2,0,0]=4 358 B7R1.3 C[C@H]1CCCNC1 HL0232 [1,0,0,1,0,0|2,0,0]=4 359 B7R1.3 ClC1CCNCC1 XJ2904 [1,0,0,1,0,0|2,0,0]=4 360 B7R1.3 FC1CCNCC1 XJ5827 [1,0,0,1,0,0|2,0,0]=4 361 B7R1.3 IC1CCCCC1 HL0234 [1,0,0,1,0,0|1,0,0]=3 362 B7R1.3 NC1CCCCC1 JZ0026 [1,0,0,1,0,0|1,0,0]=3 363 B7R1.3 NC1CCCCC1 LT4681 [1,0,0,1,0,0|1,0,0]=3 364 B7R1.3 NC1CCCCC1 RT1317 [1,0,0,1,0,0|1,0,0]=3 365 B7R1.3 NC1CCCNC1 YH06108 [1,0,0,1,0,0|2,0,0]=4 366 B7R1.3 NC1CCCNC1 YH33541 [1,0,0,1,0,0|2,0,0]=4 367 B7R1.3 NC1CCNCC1 LQ3556 [1,0,0,1,0,0|2,0,0]=4 368 B7R1.3 NC1CCNCC1 LQ4843 [1,0,0,1,0,0|2,0,0]=4 369 B7R1.3 NC1CCOCC1 LT5833 [1,0,0,1,0,0|1,0,0]=3 370 B7R1.3 NC1CCOCC1 YH54791 [1,0,0,1,0,0|1,0,0]=3 371 B7R1.3 NN1CCCCC1 RT4329 [1,0,0,1,0,0|2,0,0]=4 372 B7R1.3 NN1CCCCC1 XJ2051 [1,0,0,1,0,0|2,0,0]=4 373 B7R1.3 N[C@@H]1CCCNC1 YH55144 [1,0,0,1,0,0|2,0,0]=4 374 B7R1.3 N[C@H]1CCCNC1 HL4050 [1,0,0,1,0,0|2,0,0]=4 375 B7R1.3 N[C@H]1CCCNC1 LT0322 [1,0,0,1,0,0|2,0,0]=4 376 B7R1.3 O=C1CCCCC1 LQ0425 [1,0,0,1,0,0|0,1,1]=4 377 B7R1.3 O=C1CCOCC1 XJ5024 [1,0,0,1,0,0|0,1,1]=4 378 B7R1.3 OC1CCCCN1 LQ5146 [1,0,0,1,0,0|1,1,0]=4 379 B7R1.3 OC1CCCNC1 HL4242 [1,0,0,1,0,0|1,1,0]=4 380 B7R1.3 OC1CCCNC1 LT6809 [1,0,0,1,0,0|1,1,0]=4 381 B7R1.3 OC1CCCOC1 RT0503 [1,0,0,1,0,0|0,1,0]=3 382 B7R1.3 OC1CCCSC1 RT19790 [1,0,0,1,0,0|0,2,0]=4 383 B7R1.3 OC1CCNCC1 RT17686 [1,0,0,1,0,0|1,1,0]=4 384 B7R1.3 OC1CCOCC1 HL2134 [1,0,0,1,0,0|0,1,0]=3 385 B7R1.3 OC1CCOCC1 YH45458 [1,0,0,1,0,0|0,1,0]=3 386 B7R1.3 OC1COCOC1 LL1585 [1,0,0,1,0,0|1,1,0]=4 387 B7R1.3 ON1CCCCC1 LT0352 [1,0,0,1,0,0|1,1,0]=4 388 B7R1.3 O[C@@H]1CCCNC1 LT0319 [1,0,0,1,0,0|1,1,0]=4 389 B7R1.3 O[C@H]1CCCNC1 HL4109 [1,0,0,1,0,0|1,1,0]=4 390 B7R1.4 CC1=C(S)CCO1 LT1786 [1,0,0,1,0,0|0,0,2]=4 391 B7R1.4 CC1CCCC1N RT0500 [1,0,0,1,0,0|1,0,0]=3 392 B7R1.4 CC1CCCC1O XJ4791 [1,0,0,1,0,0|0,1,0]=3 393 B7R1.4 CC1OCCC1=O LT1811 [1,0,0,1,0,0|0,1,1]=4 394 B7R1.4 NC1CCCC1O YH93843 [1,0,0,1,0,0|1,0,0]=3 395 B7R1.4 N[C@@H]1CCC[C@H]1O LT5725 [1,0,0,1,0,0|1,0,0]=3 396 B7R1.4 N[C@@H]1CCC[C@H]1O RT0409 [1,0,0,1,0,0|1,0,0]=3 397 B7R1.4 N[C@@H]1CCC[C@H]1O YH54046 [1,0,0,1,0,0|1,0,0]=3 398 B7R1.4 N[C@@H]1COC[C@@H]1O RT4250 [1,0,0,1,0,0|2,0,0]=4 399 B7R1.4 N[C@H]1COC[C@H]1O RT4251 [1,0,0,1,0,0|2,0,0]=4 400 B7R1.21 CCOC1(O)CC1 YH65469 [1,0,0,1,0,0|1,1,0]=4 401 B7R1.25 CC1(CO)CCO1 YH09979 [1,0,0,1,0,0|2,0,0]=4 402 B7R1.25 CC1(CO)COC1 SY0220 [1,0,0,1,0,0|2,0,0]=4 403 B7R1.7 C=CCCC1CO1 YH22163 [1,0,0,1,0,0|0,0,2]=4 404 B7R1.7 C=CCC[C@H]1CO1 YH66356 [1,0,0,1,0,0|0,0,2]=4 405 B7R1.24 C1CCCCCC1 LL0631 [1,0,0,1,0,0|1,0,0]=3 406 B7R1.24 C1CCCNCC1 XJ0396 [1,0,0,1,0,0|1,0,0]=3 407 B7R1.24 C1CCCOCC1 LQ1074 [1,0,0,1,0,0|0,0,0]=2 408 B7R1.24 C1CCCSCC1 RT17551 [1,0,0,1,0,0|0,1,0]=3 409 B7R1.24 C1CNCCNC1 JZ0121 [1,0,0,1,0,0|2,0,0]=4 410 B9R1.2 CN1CCOC(CN)C1 YH34208 [0,1,0,1,0,0|2,0,0]=4 411 B9R1.2 CN1CCO[C@@H](CN)C1 RT4880 [0,1,0,1,0,0|2,0,0]=4 412 B9R1.7 CCC[C@H]1COC(=O)C1 YH66390 [0,1,0,1,0,0|1,0,1]=4 413 B9R1.8 BrCCC1CCCCC1 HL0957 [0,1,0,1,0,0|2,0,0]=4 414 B9R1.8 CCCC1CCCCN1 LT0385 [0,1,0,1,0,0|2,0,0]=4 415 B9R1.8 NCCC1CCOCC1 YH12238 [0,1,0,1,0,0|2,0,0]=4 416 B9R1.8 OCCC1CCCCC1 XJ2696 [0,1,0,1,0,0|1,0,0]=3 417 B9R1.8 OCCC1CCCCN1 HL0894 [0,1,0,1,0,0|1,0,0]=3 418 B9R1.8 OCCC1CCCNC1 HL4509 [0,1,0,1,0,0|1,0,0]=3 419 B9R1.8 OCCC1CCNCC1 JZ3997 [0,1,0,1,0,0|1,0,0]=3 420 B9R1.8 OCCC1CCOCC1 YH02520 [0,1,0,1,0,0|1,0,0]=3 421 B9R1.8 OCCC1CNCCN1 YH55395 [0,1,0,1,0,0|1,0,0]=3 422 B9R1.8 OCCN1CCCCC1 HL2424 [0,1,0,1,0,0|2,0,0]=4 423 B9R1.8 OCCN1CCNCC1 RT15528 [0,1,0,1,0,0|2,0,0]=4 424 B9R1.8 OCCN1CCOCC1 LT6885 [0,1,0,1,0,0|2,0,0]=4 425 B9R1.8 OCCN1CSCSC1 RT0037 [0,1,0,1,0,0|2,0,0]=4 426 B9R1.8 OCC[C@@H]1CCCCN1 YH18874 [0,1,0,1,0,0|1,0,0]=3 427 B9R1.8 OCC[C@H]1CCCCN1 RT3869 [0,1,0,1,0,0|1,0,0]=3 428 B9R1.12 OCCCC1CCCO1 RT15043 [0,1,0,1,0,0|0,1,0]=3 429 B9R1.12 OCCCN1CCCC1 YH43756 [0,1,0,1,0,0|2,0,0]=4 430 B9R1.15 CN1CCCCC1CO LT0356 [0,1,0,1,0,0|2,0,0]=4 431 B9R1.33 CN1CCCC1CCCl RT4547 [0,1,0,1,0,0|2,0,0]=4 432 B9R1.33 CN1CCCC1CCN LQ5165 [0,1,0,1,0,0|2,0,0]=4 433 B9R1.50 BrC1CCCCCCC1 JZ4634 [0,1,0,1,0,0|2,0,0]=4 434 B9R1.50 OC1CCCCCCC1 LQ1369 [0,1,0,1,0,0|1,1,0]=4 435 B9R1.69 O[C@@H]1C[C@@H](O)[C@@H](O)CO1 LT6526 [0,1,0,1,0,0|1,1,0]=4 436 B9R1.134 CNCC1(C)CCCO1 RT4249 [0,1,0,1,0,0|2,0,0]=4 437 B9R1.13 O=C(O)CC1CCCC1 HL0662 [0,1,0,1,0,0|1,0,1]=4 438 B9R1.13 O=C(O)CC1CCCN1 RT14441 [0,1,0,1,0,0|1,0,1]=4 439 B9R1.13 O=C(O)CC1CCSS1 YH57107 [0,1,0,1,0,0|1,0,1]=4 440 B9R1.13 O=C(O)C[C@@H]1CCCN1 LQ5306 [0,1,0,1,0,0|1,0,1]=4 441 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O YH58047 [0,1,0,1,0,0|1,0,1]=4 442 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O HL3616 [0,1,0,1,0,0|1,0,1]=4 443 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O XJ4455 [0,1,0,1,0,0|1,0,1]=4 444 B9R1.171 NC1(CC(=O)O)CCC1 YH08697 [0,1,0,1,0,0|1,0,1]=4 445 B9R1.89 N#CC1CCCCCC1 XJ5102 [0,1,0,1,0,0|2,0,0]=4 446 B9R1.89 NCC1CCCCCC1 RT4713 [0,1,0,1,0,0|2,0,0]=4 447 B9R1.148 CC1(O)CCCCCC1 HL2619 [0,1,0,1,0,0|1,1,0]=4 448 B9R2.39 SC1CC2CCC1C2 RT11262 [0,0,0,2,0,0|1,0,0]=3 449 B9R2.3 C1CC2CNCC2C1 XJ6850 [0,0,0,2,0,0|2,0,0]=4 450 B9R2.3 [C@H]12CCC[C@H]1C=NC2 YH66610 [0,0,0,2,0,0|2,0,0]=4 451 B9R2.65 OCC1C2COCC12 YH66301 [0,0,0,2,0,0|2,0,0]=4 452 B9R2.87 NC(C1CC1)C2CC2 YH32246 [0,0,0,2,0,0|2,0,0]=4