0 B7R0.4 CC(=O)SCCCBr RT1374 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.4 CCCCCC(N)=O HL0268 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.4 CCCCC[C@H](C)O JZ2825 [0,0,0,0,0,0|1,0,3]=4 3 B7R0.4 CCCCNC(N)=S LQ1811 [0,0,0,0,0,0|2,1,1]=4 4 B7R0.4 CCCCOC(=S)[S-] XJ1408 [0,0,0,0,0,0|1,2,1]=4 5 B7R0.4 CCCCOC(C)=O HL1469 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.4 CCCCOC(N)=O LT4346 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.4 CCCCO[N+](=O)[O-] RT17647 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.4 CCCCSC(C)=O LQ1519 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.4 CCCNCC(C)O RT1462 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.4 CCC\C=C\C(=O)O JZ4447 [0,0,0,0,0,0|0,0,0]=0 11 B7R0.4 CCC\C=C\C(C)=O XJ1585 [0,0,0,0,0,0|1,0,0]=1 12 B7R0.4 CNCCCC(=O)O RT0333 [0,0,0,0,0,0|1,0,2]=3 13 B7R0.4 COCCOC(=O)Cl HL0272 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.4 COC\C=C\C(=O)O RT17693 [0,0,0,0,0,0|1,0,0]=1 15 B7R0.4 C\C=C\C=C\C(=O)[O-] LQ4414 [0,0,0,0,0,0|0,0,3]=3 16 B7R0.4 O=C(Cl)CCCCBr HL2752 [0,0,0,0,0,0|2,0,2]=4 17 B7R0.4 O=C(Cl)CCCCCl LT3549 [0,0,0,0,0,0|2,0,2]=4 18 B7R0.4 O=C(Cl)COCCCl RT17538 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.4 O=C(Cl)OCCCCl LT2580 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.4 O=C(O)CCCCBr JZ0370 [0,0,0,0,0,0|1,0,2]=3 21 B7R0.4 O=C(O)CNCCO RT16423 [0,0,0,0,0,0|2,0,1]=3 22 B7R0.4 O=C([O-])CCCCBr LT3131 [0,0,0,0,0,0|1,0,3]=4 23 B7R0.4 O=C([O-])CCCCO YH65793 [0,0,0,0,0,0|1,0,3]=4 24 B6R0.4 C=CCCC(=O)O YH08846 [1,0,0,0,0,0|0,0,3]=4 25 B6R0.4 C=C\C=C\C(=O)O RT1128 [1,0,0,0,0,0|0,0,2]=3 26 B6R0.4 CC#CCC(=O)O RT17532 [1,0,0,0,0,0|0,0,3]=4 27 B6R0.4 CC(=O)NCCCl JZ3076 [1,0,0,0,0,0|3,0,0]=4 28 B6R0.4 CC(=O)NCCN HL0561 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.4 CC(=O)OCCBr LQ1516 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.4 CC(C)=CCCBr HL2172 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.4 CCC#CC(=O)O RT17589 [1,0,0,0,0,0|0,0,2]=3 32 B6R0.4 CCCCC(=O)[O-] RT0478 [1,0,0,0,0,0|0,0,2]=3 33 B6R0.4 CCCCC(N)=O HL0242 [1,0,0,0,0,0|1,0,1]=3 34 B6R0.4 CCCC[Sn](=O)S LQ4511 [1,0,0,0,0,0|1,1,1]=4 35 B6R0.4 CCCNC(C)=O JZ2722 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.4 CCCNC(N)=O HL0246 [1,0,0,0,0,0|2,0,0]=3 37 B6R0.4 CCCNC(N)=S LQ1515 [1,0,0,0,0,0|2,1,0]=4 38 B6R0.4 CCCOC(N)=O RT1458 [1,0,0,0,0,0|2,0,0]=3 39 B6R0.4 CCOCC(=O)Cl JZ4848 [1,0,0,0,0,0|2,0,1]=4 40 B6R0.4 COCCC(=O)O LQ2190 [1,0,0,0,0,0|1,0,1]=3 41 B6R0.4 CO\C=C\C(C)=O LQ2718 [1,0,0,0,0,0|2,0,0]=3 42 B6R0.4 CSCCC(=O)Cl XJ3231 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.4 CSCCC(C)=O LT2666 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.4 NCCCC(=O)O CJ3094 [1,0,0,0,0,0|1,0,1]=3 45 B6R0.4 NCCCC(N)=O RT0435 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.4 O=C(Cl)CCCBr LQ1513 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.4 O=C(O)CCCBr JZ2086 [1,0,0,0,0,0|1,0,1]=3 48 B6R0.4 O=C(O)CCCS RT19786 [1,0,0,0,0,0|1,0,1]=3 49 B6R0.4 O=C(O)\C=C\CBr LT3163 [1,0,0,0,0,0|1,0,0]=2 50 B6R0.4 O=C(O)\C=C\CCl YH66283 [1,0,0,0,0,0|1,0,0]=2 51 B6R0.4 O=C(O)\C=C\CO RT13448 [1,0,0,0,0,0|1,0,0]=2 52 B6R0.6 CCCC#CCO XJ1342 [1,0,0,0,0,0|0,0,3]=4 53 B6R0.6 CCCCCCO XJ0385 [1,0,0,0,0,0|0,0,3]=4 54 B6R0.6 CCC\C=C/CO LQ1528 [1,0,0,0,0,0|0,0,1]=2 55 B6R0.6 CCC\C=C\C=O LQ3146 [1,0,0,0,0,0|0,0,0]=1 56 B6R0.6 CC\C=C/CCO LT4581 [1,0,0,0,0,0|0,0,3]=4 57 B6R0.6 CC\C=C\CCC HL0123 [1,0,0,0,0,0|1,0,1]=3 58 B6R0.6 CC\C=C\OCC LQ1533 [1,0,0,0,0,0|2,0,1]=4 59 B6R0.6 C\C=C\CCCO XJ3000 [1,0,0,0,0,0|2,0,1]=4 60 B6R0.6 C\C=C\SCCC YH55419 [1,0,0,0,0,0|2,0,0]=3 61 B6R0.6 O=CCCCCO YH66094 [1,0,0,0,0,0|1,0,2]=4 62 B8R0.5 CCCC(O)CC(=O)O RT0532 [0,1,0,0,0,0|0,0,2]=3 63 B8R0.5 CCNC(=O)CC(C)=O RT17389 [0,1,0,0,0,0|2,0,1]=4 64 B8R0.5 CCOC(=O)C=C(C)C JZ4058 [0,1,0,0,0,0|3,0,0]=4 65 B8R0.5 CCOC(=O)CC(=O)O LQ1646 [0,1,0,0,0,0|1,0,1]=3 66 B8R0.5 CCOC(=O)CC(=O)[O-] RT16410 [0,1,0,0,0,0|1,0,2]=4 67 B8R0.5 CCOC(=O)CC(C)=O JZ0311 [0,1,0,0,0,0|2,0,1]=4 68 B8R0.5 CCOC(=O)CC(N)=O XJ1561 [0,1,0,0,0,0|2,0,1]=4 69 B8R0.5 CCOC(=O)\C=C(/C)N LQ3251 [0,1,0,0,0,0|3,0,0]=4 70 B8R0.5 CCO\C([O-])=C\C(C)=O XJ6459 [0,1,0,0,0,0|2,0,0]=3 71 B8R0.6 C=CC(=O)OCCCC XJ0575 [0,1,0,0,0,0|2,0,1]=4 72 B8R0.6 CCCCCC(=O)CC HL1322 [0,1,0,0,0,0|1,0,2]=4 73 B8R0.6 CCCCCC(=O)OC HL1324 [0,1,0,0,0,0|0,0,2]=3 74 B8R0.6 CCCCOC(=O)C=O LQ3022 [0,1,0,0,0,0|1,0,2]=4 75 B8R0.6 CCCCOC(=O)CCl HL0074 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.6 CCCCOC(=O)CO LT4349 [0,1,0,0,0,0|1,0,1]=3 77 B8R0.6 CCC\C=C\C(=O)OC JZ1988 [0,1,0,0,0,0|0,0,0]=1 78 B8R0.6 CCO\C=C\C(=O)CC RT16428 [0,1,0,0,0,0|2,0,0]=3 79 B8R0.6 COC(=O)CCCCCl XJ4043 [0,1,0,0,0,0|1,0,2]=4 80 B8R0.6 COC(=O)CCCCO RT18638 [0,1,0,0,0,0|1,0,2]=4 81 B8R0.6 COC(=O)COCCCl XJ6460 [0,1,0,0,0,0|2,0,1]=4 82 B8R0.7 C=CCCCCC(=O)O XJ1588 [0,1,0,0,0,0|0,0,3]=4 83 B8R0.7 CC(=O)OCCCCCl LT2385 [0,1,0,0,0,0|2,0,1]=4 84 B8R0.7 CC(=O)OCCCCI LQ5055 [0,1,0,0,0,0|2,0,1]=4 85 B8R0.7 CCCCCCC(=O)O XJ0376 [0,1,0,0,0,0|0,0,2]=3 86 B8R0.7 CCCCCOC(C)=O HL0284 [0,1,0,0,0,0|1,0,2]=4 87 B8R0.7 CCCCOCC(=O)O HL2310 [0,1,0,0,0,0|0,0,2]=3 88 B8R0.7 CCCC\C=C\C(C)=O XJ4452 [0,1,0,0,0,0|1,0,0]=2 89 B8R0.7 CCOCCOC(=O)Cl JZ0072 [0,1,0,0,0,0|2,0,1]=4 90 B8R0.7 CSCCCOC(C)=O LQ3932 [0,1,0,0,0,0|2,0,1]=4 91 B8R0.7 NCCCCCC(=O)O JZ1196 [0,1,0,0,0,0|0,0,2]=3 92 B8R0.7 NCCCCCC(=O)O RT0574 [0,1,0,0,0,0|0,0,2]=3 93 B8R0.7 NCCC\C=C\C(=O)O RT5552 [0,1,0,0,0,0|0,0,0]=1 94 B8R0.7 O=C(Cl)CCCCCCl XJ4464 [0,1,0,0,0,0|1,0,2]=4 95 B8R0.7 O=C(O)CCCCCBr HL2738 [0,1,0,0,0,0|0,0,2]=3 96 B8R0.7 O=C(O)CCCCCCl LT3590 [0,1,0,0,0,0|0,0,2]=3 97 B8R0.7 O=C(O)CCCCCO JZ4450 [0,1,0,0,0,0|0,0,2]=3 98 B8R0.8 CCCCC(C)C(=O)Cl XJ5458 [0,1,0,0,0,0|1,0,2]=4 99 B8R0.8 CCCCC(C)C(C)=O LQ2154 [0,1,0,0,0,0|1,0,2]=4 100 B8R0.8 CCCC[C@H](N)C(=O)O RT3896 [0,1,0,0,0,0|0,0,2]=3 101 B8R0.8 CCCOC(=O)[C@H](C)O LQ5281 [0,1,0,0,0,0|2,0,1]=4 102 B8R0.8 CSCCC(N)C(=O)O JZ0536 [0,1,0,0,0,0|1,0,2]=4 103 B8R0.8 C[34S]CC[C@H](N)C(=O)O RT5594 [0,1,0,0,0,0|1,0,2]=4 104 B8R0.8 C[Se]CC[C@H](N)C(=O)O HL0850 [0,1,0,0,0,0|1,0,2]=4 105 B8R0.8 C[Se]CC[C@H](N)C(=O)O LT7572 [0,1,0,0,0,0|1,0,2]=4 106 B8R0.8 NCCC[C@H](N)C(=O)O HL1078 [0,1,0,0,0,0|1,0,2]=4 107 B8R0.8 NCCC[C@H](N)C(=O)O JZ0525 [0,1,0,0,0,0|1,0,2]=4 108 B8R0.8 NCCC[C@H](N)C(=O)O YH10461 [0,1,0,0,0,0|1,0,2]=4 109 B8R0.8 [C@@H](N)(CCCN)C(=O)O JZ1434 [0,1,0,0,0,0|1,0,2]=4 110 B8R0.8 [C@@H](N)(CCSC)C(=O)O JZ0524 [0,1,0,0,0,0|1,0,2]=4 111 B8R0.9 CCC(=O)NCC(=O)O RT16860 [0,1,0,0,0,0|1,0,2]=4 112 B8R0.9 CCC(C)COC(=O)Cl RT18691 [0,1,0,0,0,0|2,0,1]=4 113 B8R0.9 CNC(=O)\C=C/C(=O)O JZ3047 [0,1,0,0,0,0|1,0,1]=3 114 B8R0.9 COC(=O)\C=C/C(=O)O HL2437 [0,1,0,0,0,0|1,0,1]=3 115 B8R0.21 CCCCOP(=O)(O)O RT1334 [0,1,0,0,0,0|2,0,1]=4 116 B8R0.28 CC(=O)CCCC(=O)O LQ2357 [0,1,0,0,0,0|0,0,3]=4 117 B8R0.28 CC(=O)NCCC(C)C YH32371 [0,1,0,0,0,0|2,0,1]=4 118 B8R0.28 CC(C)CCCC(=O)O HL0282 [0,1,0,0,0,0|0,0,2]=3 119 B8R0.28 CC(C)C\C=C\B(O)O LL2619 [0,1,0,0,0,0|1,0,1]=3 120 B8R0.28 CC(C)C\C=C\C(=O)O RT1138 [0,1,0,0,0,0|0,0,0]=1 121 B8R0.28 CC(O)CCCC(=O)O RT0557 [0,1,0,0,0,0|0,0,2]=3 122 B8R0.28 CN(C)CCCC(=O)O HL4424 [0,1,0,0,0,0|1,0,2]=4 123 B8R0.28 CN(C)C\C=C\C(=O)O RT4916 [0,1,0,0,0,0|1,0,0]=2 124 B8R0.28 O=C(O)\C=C\CC(=O)O RT17597 [0,1,0,0,0,0|1,0,1]=3 125 B8R0.28 O=C([O-])\C=C\CC(=O)[O-] RT1137 [0,1,0,0,0,0|1,0,2]=4 126 B8R1.1 NCC1CNC(=O)O1 RT4366 [0,0,0,1,0,0|2,0,1]=4 127 B8R1.1 O=C1C=C[C@H](CO)O1 LL1404 [0,0,0,1,0,0|1,0,0]=2 128 B8R1.4 CC1=CC(O)=CC=C1 JZ0053 [0,0,0,1,0,0|1,0,2]=4 129 B8R1.4 CC1=CC=CC(O)=N1 XJ2432 [0,0,0,1,0,0|1,0,2]=4 130 B8R1.4 CC1=NC=CC(O)=C1 LX2783 [0,0,0,1,0,0|2,0,1]=4 131 B8R1.4 CC1CCCC(=O)O1 LQ1481 [0,0,0,1,0,0|0,0,2]=3 132 B8R1.4 C[N+]1=CC=CC(O)=C1 RT8366 [0,0,0,1,0,0|2,0,1]=4 133 B8R1.7 CC(=O)C1=NCCC1 RT14173 [0,0,0,1,0,0|2,0,0]=3 134 B8R1.7 CC(=O)C1CCCC1 RT17591 [0,0,0,1,0,0|1,0,2]=4 135 B8R1.7 NC(=O)C1CCCN1 RT6733 [0,0,0,1,0,0|2,0,1]=4 136 B8R1.7 NC(=O)[C@@H]1CCCN1 LT6095 [0,0,0,1,0,0|2,0,1]=4 137 B8R1.7 O=C(O)C1=CC=CN1 LQ1319 [0,0,0,1,0,0|1,0,2]=4 138 B8R1.7 O=C(O)C1=CC=CO1 LQ4516 [0,0,0,1,0,0|1,0,2]=4 139 B8R1.7 O=C(O)C1=CC=CO1 LT6552 [0,0,0,1,0,0|1,0,2]=4 140 B8R1.7 O=C(O)C1=CC=NS1 YH21736 [0,0,0,1,0,0|2,0,1]=4 141 B8R1.7 O=C(O)C1=CN=CN1 JZ4351 [0,0,0,1,0,0|2,0,1]=4 142 B8R1.7 O=C(O)C1=CN=CS1 LQ3747 [0,0,0,1,0,0|2,0,1]=4 143 B8R1.7 O=C(O)C1=CN=NN1 LT6005 [0,0,0,1,0,0|3,0,0]=4 144 B8R1.7 O=C(O)C1=CNN=C1 RT14194 [0,0,0,1,0,0|2,0,1]=4 145 B8R1.7 O=C(O)C1=COC=N1 LQ4340 [0,0,0,1,0,0|2,0,1]=4 146 B8R1.7 O=C(O)C1=COCC1 YH98627 [0,0,0,1,0,0|1,0,0]=2 147 B8R1.7 O=C(O)C1=CSC=C1 LT6654 [0,0,0,1,0,0|1,0,2]=4 148 B8R1.7 O=C(O)C1=NNC=C1 XJ1870 [0,0,0,1,0,0|2,0,1]=4 149 B8R1.7 O=C(O)C1=NOC=C1 JZ2260 [0,0,0,1,0,0|2,0,1]=4 150 B8R1.7 O=C(O)C1CCCO1 LT5095 [0,0,0,1,0,0|1,0,1]=3 151 B8R1.7 O=C(O)C1CCNC1 YH08955 [0,0,0,1,0,0|1,0,2]=4 152 B8R1.7 O=C(O)C1COCN1 YH53251 [0,0,0,1,0,0|2,0,1]=4 153 B8R1.7 O=C(O)C1NCCS1 LT6660 [0,0,0,1,0,0|2,0,1]=4 154 B8R1.7 O=C(O)[C@@H]1C=CCN1 LX2096 [0,0,0,1,0,0|1,0,2]=4 155 B8R1.7 O=C(O)[C@@H]1CCCN1 JZ0527 [0,0,0,1,0,0|1,0,1]=3 156 B8R1.7 O=C(O)[C@@H]1CCCO1 XJ6513 [0,0,0,1,0,0|1,0,1]=3 157 B8R1.7 O=C(O)[C@@H]1CCNC1 YH13838 [0,0,0,1,0,0|1,0,2]=4 158 B8R1.7 O=C(O)[C@@H]1CCOC1 YH12920 [0,0,0,1,0,0|1,0,2]=4 159 B8R1.7 O=C(O)[C@@H]1CSCN1 XJ5151 [0,0,0,1,0,0|2,0,1]=4 160 B8R1.7 O=C(O)[C@H]1CCCO1 XJ6512 [0,0,0,1,0,0|1,0,1]=3 161 B8R1.7 O=C(O)[C@H]1CCNC1 JZ0220 [0,0,0,1,0,0|1,0,2]=4 162 B8R1.7 O=C(O)[C@H]1CCNC1 LT4960 [0,0,0,1,0,0|1,0,2]=4 163 B8R1.7 O=C(O)[C@H]1CCOC1 YH39058 [0,0,0,1,0,0|1,0,2]=4 164 B8R1.22 O=C1CCCCCC1 LT4672 [0,0,0,1,0,0|1,0,2]=4 165 B5R0.1 C(Cl)CC(=O)O CJ2142 [2,0,0,0,0,0|1,0,0]=3 166 B5R0.1 CC(=O)CCS XJ5155 [2,0,0,0,0,0|2,0,0]=4 167 B5R0.1 CCCC(=O)[O-] XJ2982 [2,0,0,0,0,0|0,0,1]=3 168 B5R0.1 CCCC(N)=O XJ0937 [2,0,0,0,0,0|1,0,0]=3 169 B5R0.1 CCCC(N)=[NH2+] LX2780 [2,0,0,0,0,0|2,0,0]=4 170 B5R0.1 CCC[C@H](C)O LQ4668 [2,0,0,0,0,0|1,0,1]=4 171 B5R0.1 CCC[N+](=O)[O-] JZ5682 [2,0,0,0,0,0|1,0,1]=4 172 B5R0.1 CCC[N+](=O)[O-] LQ0374 [2,0,0,0,0,0|1,0,1]=4 173 B5R0.1 CCNC(C)=O XJ1192 [2,0,0,0,0,0|2,0,0]=4 174 B5R0.1 CCNC(N)=O XJ1194 [2,0,0,0,0,0|2,0,0]=4 175 B5R0.1 CCNC(N)=O XJ3539 [2,0,0,0,0,0|2,0,0]=4 176 B5R0.1 CCOC(=O)Cl XJ0938 [2,0,0,0,0,0|2,0,0]=4 177 B5R0.1 CCOC(=O)O XJ1147 [2,0,0,0,0,0|1,0,0]=3 178 B5R0.1 CCOC(N)=O RT0197 [2,0,0,0,0,0|2,0,0]=4 179 B5R0.1 CCO[Si](=O)O JZ3510 [2,0,0,0,0,0|1,1,0]=4 180 B5R0.1 CCSC(C)=O HL4138 [2,0,0,0,0,0|2,0,0]=4 181 B5R0.1 CCSC(C)=O XJ1197 [2,0,0,0,0,0|2,0,0]=4 182 B5R0.1 CNCC(=O)O JZ4055 [2,0,0,0,0,0|1,0,0]=3 183 B5R0.1 CNCC(=O)O RT0428 [2,0,0,0,0,0|1,0,0]=3 184 B5R0.1 CNCC(=O)[O-] JZ1762 [2,0,0,0,0,0|1,0,1]=4 185 B5R0.1 COCC(C)=O LT7464 [2,0,0,0,0,0|2,0,0]=4 186 B5R0.1 CSCC(=O)O XJ2185 [2,0,0,0,0,0|1,0,0]=3 187 B5R0.1 C\C=C\C(=O)Cl XJ1187 [2,0,0,0,0,0|1,0,0]=3 188 B5R0.1 C\C=C\C(=O)O HL1378 [2,0,0,0,0,0|0,0,0]=2 189 B5R0.1 C\C=C\C(N)=O RT17596 [2,0,0,0,0,0|1,0,0]=3 190 B5R0.1 NC(=O)CCO RT17509 [2,0,0,0,0,0|2,0,0]=4 191 B5R0.1 NCCC(=O)O JZ0318 [2,0,0,0,0,0|1,0,0]=3 192 B5R0.1 NOCC(=O)O RT0527 [2,0,0,0,0,0|2,0,0]=4 193 B5R0.1 O=C(Cl)CCCl JZ0826 [2,0,0,0,0,0|2,0,0]=4 194 B5R0.1 O=C(O)CCBr HL0088 [2,0,0,0,0,0|1,0,0]=3 195 B5R0.1 O=C(O)CCS SY0092 [2,0,0,0,0,0|1,0,0]=3 196 B5R0.1 O=C([O-])CCO RT1268 [2,0,0,0,0,0|1,0,1]=4 197 B5R0.2 C=CCCCBr XJ1587 [2,0,0,0,0,0|1,0,1]=4 198 B5R0.2 C=C\C=C\C=O XJ1340 [2,0,0,0,0,0|0,0,2]=4 199 B5R0.2 CCCC[SnH]=O LQ5214 [2,0,0,0,0,0|1,0,1]=4 200 B5R0.2 CCCN=C=O LL0443 [2,0,0,0,0,0|1,0,1]=4 201 B5R0.2 CCCOC=O LL0440 [2,0,0,0,0,0|1,0,0]=3 202 B5R0.2 CCO\C=C\Cl RT17648 [2,0,0,0,0,0|2,0,0]=4 203 B5R0.2 CC\C=C\CC JZ3712 [2,0,0,0,0,0|1,0,1]=4 204 B5R0.2 COCCC=O YH51649 [2,0,0,0,0,0|1,0,1]=4 205 B5R0.2 CSCCC=O LT3092 [2,0,0,0,0,0|1,0,1]=4 206 B5R0.2 CSC\C=N\O LQ3457 [2,0,0,0,0,0|2,0,0]=4 207 B5R0.2 C\C=C\CCC XJ2577 [2,0,0,0,0,0|0,0,1]=3 208 B5R0.2 OC\C=C\CBr RT1108 [2,0,0,0,0,0|1,0,1]=4 209 B7R0.2 CCC(=O)CC(N)=O YH16677 [1,1,0,0,0,0|1,0,1]=4 210 B7R0.2 CCC(C)NC(N)=O JZ0727 [1,1,0,0,0,0|2,0,0]=4 211 B7R0.2 CCC(C)OC(=O)Cl YH40190 [1,1,0,0,0,0|2,0,0]=4 212 B7R0.2 CCC(N)CC(=O)O YH66442 [1,1,0,0,0,0|0,0,1]=3 213 B7R0.2 CC[C@@H](N)CC(=O)O YH31614 [1,1,0,0,0,0|0,0,1]=3 214 B7R0.2 CC[C@H](C)CC(=O)O LX2881 [1,1,0,0,0,0|0,0,1]=3 215 B7R0.2 CC[C@H](C)CC(=O)O YH39271 [1,1,0,0,0,0|0,0,1]=3 216 B7R0.2 CC[C@H](N)CC(=O)O YH34687 [1,1,0,0,0,0|0,0,1]=3 217 B7R0.2 NCC(O)CC(=O)O YH66693 [1,1,0,0,0,0|1,0,1]=4 218 B7R0.3 CCCCC(=O)CC XJ0362 [1,1,0,0,0,0|1,0,1]=4 219 B7R0.3 CCCCC(=O)NC HL3084 [1,1,0,0,0,0|1,0,1]=4 220 B7R0.3 CCCCC(=O)NN LQ4942 [1,1,0,0,0,0|1,0,1]=4 221 B7R0.3 CCCC\C(N)=N\O YH13028 [1,1,0,0,0,0|1,0,1]=4 222 B7R0.3 CCCOC(=O)CCl HL2914 [1,1,0,0,0,0|2,0,0]=4 223 B7R0.3 CCCOC(=O)CN LQ3564 [1,1,0,0,0,0|2,0,0]=4 224 B7R0.3 CCOCC(=O)OC RT17745 [1,1,0,0,0,0|1,0,1]=4 225 B7R0.3 COC(=O)CCCCl LT5164 [1,1,0,0,0,0|1,0,1]=4 226 B7R0.3 COC(=O)CCCO RT0271 [1,1,0,0,0,0|1,0,1]=4 227 B7R0.3 COC(=O)CCSC LQ3661 [1,1,0,0,0,0|1,0,1]=4 228 B7R0.3 COC(=O)\C=C\CBr XJ1572 [1,1,0,0,0,0|1,0,0]=3 229 B7R0.3 COCCC(=O)OC LQ2522 [1,1,0,0,0,0|1,0,1]=4 230 B7R0.3 CO\C=C\C(=O)OC HL3008 [1,1,0,0,0,0|1,0,0]=3 231 B7R0.5 CCCC(=O)C(C)=O LQ2544 [1,1,0,0,0,0|1,0,0]=3 232 B7R0.5 CCCC(C)C(=O)Cl LQ2858 [1,1,0,0,0,0|1,0,1]=4 233 B7R0.5 CCCC(C)C(=O)O LL0280 [1,1,0,0,0,0|0,0,1]=3 234 B7R0.5 CCC[C@H](C)C(=O)O RT0270 [1,1,0,0,0,0|0,0,1]=3 235 B7R0.5 CCC[C@H](N)C(=O)O LT7574 [1,1,0,0,0,0|0,0,1]=3 236 B7R0.5 CCOC(=O)C(C)=O RT1264 [1,1,0,0,0,0|2,0,0]=4 237 B7R0.5 CC\C=C(/C)C(=O)O LT5109 [1,1,0,0,0,0|0,0,0]=2 238 B7R0.5 CNCC(N)C(=O)O RT5659 [1,1,0,0,0,0|1,0,1]=4 239 B7R0.5 COCC(Cl)C(=O)O YH49766 [1,1,0,0,0,0|1,0,1]=4 240 B7R0.5 COCC(N)C(=O)O YH43849 [1,1,0,0,0,0|1,0,1]=4 241 B7R0.5 COC[C@@H](N)C(=O)O HL4811 [1,1,0,0,0,0|1,0,1]=4 242 B7R0.5 COC[C@H](N)C(=O)O XJ5093 [1,1,0,0,0,0|1,0,1]=4 243 B7R0.5 CSCC(C)C(=O)O RT5786 [1,1,0,0,0,0|1,0,1]=4 244 B7R0.5 CSC[C@H](N)C(=O)O JZ4436 [1,1,0,0,0,0|1,0,1]=4 245 B7R0.5 C[Se]CC(=O)C(=O)O RT1095 [1,1,0,0,0,0|1,0,0]=3 246 B7R0.5 NC(CCO)C(=O)O XJ0825 [1,1,0,0,0,0|1,0,1]=4 247 B7R0.5 NCC[C@@H](N)C(=O)O JZ5728 [1,1,0,0,0,0|1,0,1]=4 248 B7R0.5 NCC[C@H](N)C(=O)O LQ1967 [1,1,0,0,0,0|1,0,1]=4 249 B7R0.5 NCC[C@H](O)C(=O)O LT4053 [1,1,0,0,0,0|1,0,1]=4 250 B7R0.5 N[C@@H](CCO)C(=O)O JZ1619 [1,1,0,0,0,0|1,0,1]=4 251 B7R0.5 N[C@H](CCO)C(=O)O JZ2820 [1,1,0,0,0,0|1,0,1]=4 252 B7R0.6 CC(=O)CCC(=O)O RT1110 [1,1,0,0,0,0|0,0,2]=4 253 B7R0.6 CC(=O)CCC(C)C LL0404 [1,1,0,0,0,0|1,0,1]=4 254 B7R0.6 CC(=O)\C=C\C(=O)O JZ2572 [1,1,0,0,0,0|0,0,1]=3 255 B7R0.6 CC(=O)\C=C\C(=O)O YH65778 [1,1,0,0,0,0|0,0,1]=3 256 B7R0.6 CC(=O)\C=C\C(C)C LQ2825 [1,1,0,0,0,0|1,0,0]=3 257 B7R0.6 CC(=O)\C=C\N(C)C RT1440 [1,1,0,0,0,0|2,0,0]=4 258 B7R0.6 CC(C)CCC(=O)O XJ1215 [1,1,0,0,0,0|0,0,1]=3 259 B7R0.6 CC(C)CNC(N)=O RT15753 [1,1,0,0,0,0|2,0,0]=4 260 B7R0.6 CC(C)COC(=O)Cl XJ0965 [1,1,0,0,0,0|2,0,0]=4 261 B7R0.6 CC(Cl)\C=C\C(=O)Cl RT17663 [1,1,0,0,0,0|1,0,0]=3 262 B7R0.6 C[S+](C)CCC(=O)O RT0388 [1,1,0,0,0,0|1,0,1]=4 263 B7R0.6 NC(=O)\C=C/C(=O)O LQ1029 [1,1,0,0,0,0|1,0,1]=4 264 B7R0.6 O=C([O-])\C=C\C(=O)O LQ3341 [1,1,0,0,0,0|1,0,1]=4 265 B7R0.6 OC(=O)\C=C\C(=O)O JZ1539 [1,1,0,0,0,0|1,0,1]=4 266 B7R0.8 CCCCS(=O)(=O)O JZ1954 [1,1,0,0,0,0|1,0,1]=4 267 B7R0.1 CCC\C=C/CCC LQ3284 [1,1,0,0,0,0|1,0,1]=4 268 B7R0.1 CCC\C=C/CCO JZ4690 [1,1,0,0,0,0|0,0,1]=3 269 B7R0.1 CC\C=C/CCCO XJ3057 [1,1,0,0,0,0|1,0,1]=4 270 B7R0.1 CC\C=C\C=C\C=O LQ2607 [1,1,0,0,0,0|0,0,1]=3 271 B7R0.1 CC\C=C\C=C\CO RT14062 [1,1,0,0,0,0|0,0,1]=3 272 B7R0.1 C\C=C\CCCCC XJ0407 [1,1,0,0,0,0|1,0,1]=4 273 B7R0.1 OCC\C=C\CCO RT0115 [1,1,0,0,0,0|1,0,1]=4 274 B7R0.7 CCOC(=O)CC=O YH56003 [1,1,0,0,0,0|1,0,1]=4 275 B7R0.7 CCOC(=O)\C=C/Br YH66073 [1,1,0,0,0,0|2,0,0]=4 276 B7R0.7 C\C=C\C(O)CCC JZ2612 [1,1,0,0,0,0|1,0,1]=4 277 B9R0.34 CCCC(O)CC(=O)OC RT1164 [0,2,0,0,0,0|0,0,2]=4 278 B9R0.34 CCOC(=O)\C=C(/C)C=O LT7922 [0,2,0,0,0,0|2,0,0]=4 279 B9R0.34 COCC(=O)CC(=O)OC LT3021 [0,2,0,0,0,0|1,0,1]=4 280 B9R0.53 CC(=O)N\C(C)=C/C(=O)O CJ2905 [0,2,0,0,0,0|1,0,1]=4 281 B9R0.53 CC(=O)N\C(C)=C\C(=O)O LX5186a [0,2,0,0,0,0|1,0,1]=4 282 B9R0.53 CC(C)C[C@H](N)CC(=O)O YH47842 [0,2,0,0,0,0|0,0,2]=4 283 B9R0.1 COC(=O)\C=C\CN(C)C RT4829 [0,2,0,0,0,0|1,0,0]=3 284 B9R0.5 CCO\C=C\C(=O)OCC HL0560 [0,2,0,0,0,0|1,0,0]=3 285 B9R0.5 CCO\C=C\C(=O)OCC LQ2963 [0,2,0,0,0,0|1,0,0]=3 286 B9R0.8 CCO\C=C(/C)C(=O)CC RT6124 [0,2,0,0,0,0|2,0,0]=4 287 B9R0.24 CCC(O)C#CC(=O)OC XJ6859 [0,2,0,0,0,0|0,0,2]=4 288 B9R0.47 CCCCOC(=O)C(C)=O LT5784 [0,2,0,0,0,0|1,0,1]=4 289 B9R0.47 CCSCC[C@H](N)C(=O)O RT5770 [0,2,0,0,0,0|0,0,2]=4 290 B9R0.47 NCCCCC(N)C(=O)O JZ1418 [0,2,0,0,0,0|0,0,2]=4 291 B9R0.47 NCCCCC(N)C(=O)O JZ1419 [0,2,0,0,0,0|0,0,2]=4 292 B9R0.47 NCCCC[C@@H](N)C(=O)O JZ1430 [0,2,0,0,0,0|0,0,2]=4 293 B9R0.47 NCCCC[C@H](N)C(=O)O JZ0474 [0,2,0,0,0,0|0,0,2]=4 294 B9R0.47 NCCCC[C@H](N)C(=O)O JZ1624 [0,2,0,0,0,0|0,0,2]=4 295 B9R0.47 NCCCC[C@H](N)C(=O)O RT5744 [0,2,0,0,0,0|0,0,2]=4 296 B9R0.47 N[C@@H](CCCCO)C(=O)O RT5052 [0,2,0,0,0,0|0,0,2]=4 297 B9R0.50 CCC\C=C\C(OC)OC XJ4421 [0,2,0,0,0,0|0,0,2]=4 298 B9R0.2 CCCCCC#CC(=O)O XJ2930 [0,2,0,0,0,0|0,0,2]=4 299 B9R0.2 CCC\C=C\COC(C)=O HL2284 [0,2,0,0,0,0|1,0,0]=3 300 B9R0.2 O=C(O)CCCCCCBr YH53191 [0,2,0,0,0,0|0,0,2]=4 301 B9R0.2 O=C(O)CCCCCCO RT17679 [0,2,0,0,0,0|0,0,2]=4 302 B9R0.48 CCCC(=O)NCC(=O)O RT5454 [0,2,0,0,0,0|0,0,1]=3 303 B9R0.48 CCOC(=O)\C=C/C(=O)O RT18747 [0,2,0,0,0,0|0,0,1]=3 304 B9R0.48 CCOC(=O)\C=C\C(=O)[O-] RT0568 [0,2,0,0,0,0|0,0,2]=4 305 B9R0.48 CCOC(=O)\C=C\C(=O)[O-] RT0768 [0,2,0,0,0,0|0,0,2]=4 306 B9R0.48 CCOC(=O)\C=C\C(=O)[O-] RT0833 [0,2,0,0,0,0|0,0,2]=4 307 B9R0.7 CC(C)CC[C@@H](N)C(=O)O HL3488 [0,2,0,0,0,0|0,0,2]=4 308 B9R0.7 CC(C)CC[C@H](N)C(=O)O RT5348 [0,2,0,0,0,0|0,0,2]=4 309 B9R0.56 C[N+](C)(C)C\C=C\C(=O)[O-] RT0539 [0,2,0,0,0,0|1,0,1]=4 310 B7R1.2 CC1=CC=C(C)O1 JZ0985 [1,0,0,1,0,0|1,0,1]=4 311 B7R1.2 CC1=CCC(=O)O1 HL0093 [1,0,0,1,0,0|0,0,2]=4 312 B7R1.2 CC1CCC(=O)C1 XJ1883 [1,0,0,1,0,0|1,0,1]=4 313 B7R1.2 CC1CSC(=O)S1 RT14660 [1,0,0,1,0,0|1,1,0]=4 314 B7R1.2 C[C@H]1COC(=O)N1 YH59595 [1,0,0,1,0,0|2,0,0]=4 315 B7R1.2 O=C1C=CC(=O)O1 LQ0391 [1,0,0,1,0,0|1,0,1]=4 316 B7R1.2 O=C1C=CC(=O)O1 LT3790 [1,0,0,1,0,0|1,0,1]=4 317 B7R1.2 O=C1OCC(Cl)O1 LT4482 [1,0,0,1,0,0|2,0,0]=4 318 B7R1.2 O=C1OCC(Cl)O1 LT7595 [1,0,0,1,0,0|2,0,0]=4 319 B7R1.3 CC1=CCCCC1 HL0101 [1,0,0,1,0,0|2,0,0]=4 320 B7R1.3 O=C1C=CCCN1 RT4551 [1,0,0,1,0,0|1,0,0]=3 321 B7R1.3 O=C1CCCCC1 LQ0425 [1,0,0,1,0,0|1,0,1]=4 322 B7R1.3 O=C1COCCO1 HL2425 [1,0,0,1,0,0|1,0,1]=4 323 B7R1.3 O=C1NCCCO1 YH05298 [1,0,0,1,0,0|1,0,0]=3 324 B7R1.3 O=C1OCCCO1 XJ2200 [1,0,0,1,0,0|1,0,0]=3 325 B7R1.3 OC1C=CCCC1 YH66647 [1,0,0,1,0,0|1,0,1]=4 326 B7R1.18 O=C(Cl)C1CCC1 HL2843 [1,0,0,1,0,0|1,0,1]=4 327 B7R1.18 O=C(O)C1CCC1 LT4667 [1,0,0,1,0,0|0,0,1]=3 328 B7R1.18 O=C(O)C1CCO1 YH90563 [1,0,0,1,0,0|1,0,1]=4 329 B7R1.18 O=C(O)C1CNC1 RT5032 [1,0,0,1,0,0|1,0,1]=4 330 B7R1.18 O=C(O)C1CNC1 YH21684 [1,0,0,1,0,0|1,0,1]=4 331 B7R1.18 O=C(O)[C@@H]1CCN1 RT5004 [1,0,0,1,0,0|1,0,1]=4 332 B7R1.20 BrC(Br)=CC1CC1 RT0112 [1,0,0,1,0,0|2,0,0]=4 333 B7R1.20 O=C(O)CC1CC1 LQ2859 [1,0,0,1,0,0|0,0,1]=3 334 B7R1.1 CCC1=CC=CS1 XJ1420 [1,0,0,1,0,0|0,1,1]=4 335 B7R1.1 COC1=CC=CO1 XJ4809 [1,0,0,1,0,0|1,0,1]=4 336 B7R1.1 N#CC1=CCCC1 HL2430 [1,0,0,1,0,0|1,0,1]=4 337 B7R1.1 NCC1=CC=CO1 RT4371 [1,0,0,1,0,0|1,0,1]=4 338 B7R1.1 O=CC1CCCC1 XJ1419 [1,0,0,1,0,0|0,0,2]=4 339 B7R1.1 O=CC1CCCO1 LX2512 [1,0,0,1,0,0|1,0,1]=4 340 B7R1.1 OCC1=CC=CO1 XJ0217 [1,0,0,1,0,0|1,0,1]=4 341 B7R1.1 SCC1=CC=CO1 LL2412 [1,0,0,1,0,0|1,0,1]=4 342 B7R1.4 CC1CCNC1=O YH49833 [1,0,0,1,0,0|1,0,1]=4 343 B7R1.4 CC1CCOC1=O LQ1890 [1,0,0,1,0,0|1,0,1]=4 344 B7R1.4 CN1SC=CC1=O RT14324 [1,0,0,1,0,0|2,0,0]=4 345 B7R1.4 CN1SC=CC1=O RT4660 [1,0,0,1,0,0|2,0,0]=4 346 B9R1.7 CCCC1=CC(N)=NN1 LQ5499 [0,1,0,1,0,0|2,0,0]=4 347 B9R1.7 CCC[C@H]1COC(=O)C1 YH66390 [0,1,0,1,0,0|0,0,2]=4 348 B9R1.7 CCOC1C=CC(=O)O1 YH51815 [0,1,0,1,0,0|0,0,0]=2 349 B9R1.13 O=C(O)CC1CCCC1 HL0662 [0,1,0,1,0,0|0,0,2]=4 350 B9R1.13 O=C(O)CC1CCCN1 RT14441 [0,1,0,1,0,0|0,0,2]=4 351 B9R1.13 O=C(O)C[C@@H]1CCCN1 LQ5306 [0,1,0,1,0,0|0,0,2]=4 352 B9R1.13 O=C(O)C[C@@H]1CCNC1 YH28994 [0,1,0,1,0,0|0,0,2]=4 353 B9R1.13 O=C(O)C[C@H]1CCNC1 LX2326 [0,1,0,1,0,0|0,0,2]=4 354 B9R1.34 CC1=CC(=O)CC(C)C1 HL0663 [0,1,0,1,0,0|1,0,0]=3 355 B9R1.34 CC1=CC(=O)OC(C)=C1 HL0328 [0,1,0,1,0,0|0,0,2]=4 356 B9R1.34 CC1=CC(O)=CC(=O)O1 HL0329 [0,1,0,1,0,0|0,0,2]=4 357 B9R1.41 CC1=C(C(=O)O)C=CO1 JZ3070 [0,1,0,1,0,0|0,0,2]=4 358 B9R1.41 CC1=C(C(=O)O)C=NO1 LQ5080 [0,1,0,1,0,0|1,0,1]=4 359 B9R1.41 CC1=C(C(=O)O)N=CO1 YH22337 [0,1,0,1,0,0|1,0,1]=4 360 B9R1.41 CC1=C(C(=O)O)N=CS1 YH65662 [0,1,0,1,0,0|1,0,1]=4 361 B9R1.41 CC1=C(C(=O)O)NC=C1 YH94680 [0,1,0,1,0,0|0,0,2]=4 362 B9R1.41 CC1=C(C(=O)O)OC=C1 JZ2549 [0,1,0,1,0,0|0,0,2]=4 363 B9R1.41 CC1=C(C(=O)O)OC=N1 RT15059 [0,1,0,1,0,0|1,0,1]=4 364 B9R1.41 CC1=C(C(=O)O)SC=C1 LT2617 [0,1,0,1,0,0|0,0,2]=4 365 B9R1.41 CC1=C(C(=O)O)SC=N1 JZ5396 [0,1,0,1,0,0|1,0,1]=4 366 B9R1.41 CC1=CNC=C1C(=O)O RT10098 [0,1,0,1,0,0|0,0,2]=4 367 B9R1.41 CN1C=CN=C1C(=O)O JZ5397 [0,1,0,1,0,0|1,0,1]=4 368 B9R1.41 CN1C=NC=C1C(=O)O XJ5475 [0,1,0,1,0,0|1,0,1]=4 369 B9R1.41 CN1N=CC=C1C(=O)O YH37728 [0,1,0,1,0,0|1,0,1]=4 370 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O LX2597 [0,1,0,1,0,0|0,0,2]=4 371 B9R1.41 NN1CCC[C@@H]1C(=O)O RT5473 [0,1,0,1,0,0|1,0,1]=4 372 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O YH58047 [0,1,0,1,0,0|0,0,2]=4 373 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O HL3616 [0,1,0,1,0,0|0,0,2]=4 374 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O XJ4455 [0,1,0,1,0,0|0,0,2]=4 375 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O RT15056 [0,1,0,1,0,0|1,0,1]=4 376 B9R1.86 O=C(O)CC1CC1CS RT19795 [0,1,0,1,0,0|0,0,2]=4 377 B9R1.171 NC1(CC(=O)O)CCC1 YH08697 [0,1,0,1,0,0|0,0,2]=4 378 B9R1.1 CCC1=CC=C(O)C=C1 LQ4557 [0,1,0,1,0,0|1,0,1]=4 379 B9R1.1 CCC1=CNC(=O)C=C1 YH05768 [0,1,0,1,0,0|1,0,1]=4 380 B9R1.2 CCC1=CC=CC(O)=C1 YH10409 [0,1,0,1,0,0|1,0,1]=4 381 B9R1.3 CC1=C(O)C(=O)C=CO1 LQ0489 [0,1,0,1,0,0|1,0,1]=4 382 B9R1.11 COC(=O)C1=CCCC1 RT12020 [0,1,0,1,0,0|0,0,0]=2 383 B9R1.11 COC(=O)C1CCCC1 LQ2705 [0,1,0,1,0,0|0,0,2]=4 384 B9R1.11 COC(=O)C1CCCO1 YH57736 [0,1,0,1,0,0|1,0,1]=4 385 B9R1.11 [C@@H]1(C(=O)OC)CCCN1 RT5470 [0,1,0,1,0,0|1,0,1]=4 386 B9R1.21 O=CC1=CC=C(CO)O1 JZ1173 [0,1,0,1,0,0|1,0,1]=4 387 B9R1.6 CC(=O)C1=CCCCC1 JZ4276 [0,1,0,1,0,0|1,0,0]=3 388 B9R1.6 CC(=O)C1=NCCCC1 RT15379 [0,1,0,1,0,0|1,0,1]=4 389 B9R1.6 O=C(O)C1=CCCCC1 JZ4029 [0,1,0,1,0,0|0,0,0]=2 390 B9R1.6 O=C(O)C1=CCCNC1 RT4412 [0,1,0,1,0,0|0,0,0]=2 391 B9R1.6 O=C(O)C1=CCNCC1 LT3860 [0,1,0,1,0,0|0,0,0]=2 392 B9R1.6 O=C(O)C1=CCNCC1 RT4561 [0,1,0,1,0,0|0,0,0]=2 393 B9R1.6 O=C(O)C1CC=CCC1 JZ4561 [0,1,0,1,0,0|0,0,2]=4 394 B9R1.6 O=C(O)C1CC=CCC1 SY0237 [0,1,0,1,0,0|0,0,2]=4 395 B9R1.6 O=C(O)C1CCCCN1 LT0384 [0,1,0,1,0,0|0,0,2]=4 396 B9R1.6 O=C(O)C1CCCNC1 LT2969 [0,1,0,1,0,0|0,0,2]=4 397 B9R1.6 O=C(O)C1CCNCC1 LT3745 [0,1,0,1,0,0|0,0,2]=4 398 B9R1.6 O=C(O)C1CCOCC1 XJ2848 [0,1,0,1,0,0|0,0,2]=4 399 B9R1.6 O=C(O)C1CNCCN1 HL2333 [0,1,0,1,0,0|1,0,1]=4 400 B9R1.6 O=C(O)C1CNCCN1 YH52942 [0,1,0,1,0,0|1,0,1]=4 401 B9R1.6 O=C(O)C1CNCCO1 YH52809 [0,1,0,1,0,0|1,0,1]=4 402 B9R1.6 O=C(O)C1COCCN1 HL4648 [0,1,0,1,0,0|1,0,1]=4 403 B9R1.6 O=C(O)N1CCCCC1 RT9921 [0,1,0,1,0,0|0,0,2]=4 404 B9R1.6 O=C(O)[C@@H]1CC=CCC1 YH07763 [0,1,0,1,0,0|0,0,2]=4 405 B9R1.6 O=C(O)[C@@H]1CCCNC1 YH49486 [0,1,0,1,0,0|0,0,2]=4 406 B9R1.6 O=C(O)[C@@H]1CNCCN1 HL3574 [0,1,0,1,0,0|1,0,1]=4 407 B9R1.6 O=C(O)[C@@H]1CNCCN1 YH37461 [0,1,0,1,0,0|1,0,1]=4 408 B9R1.6 O=C(O)[C@@H]1COCCN1 LX3021 [0,1,0,1,0,0|1,0,1]=4 409 B9R1.6 O=C(O)[C@H]1CCCCN1 JZ0473 [0,1,0,1,0,0|0,0,2]=4 410 B9R1.6 O=C(O)[C@H]1CCCCN1 LX2188 [0,1,0,1,0,0|0,0,2]=4 411 B9R1.6 O=C(O)[C@H]1CCCNC1 YH08791 [0,1,0,1,0,0|0,0,2]=4 412 B9R1.6 O=C(O)[C@H]1CCCNC1 YH89771 [0,1,0,1,0,0|0,0,2]=4 413 B9R1.6 O=C(O)[C@H]1CNCCN1 LQ4703 [0,1,0,1,0,0|1,0,1]=4 414 B9R1.6 OB(O)C1=CCCCC1 YH93895 [0,1,0,1,0,0|1,0,1]=4 415 B9R1.85 O=C(O)COCC1CC1 RT17500 [0,1,0,1,0,0|0,0,2]=4 416 B9R1.35 CC1=CC=C(C(=O)O)S1 LQ2018 [0,1,0,1,0,0|0,0,2]=4 417 B9R1.35 CC1=NC(C(=O)O)=CN1 RT14528 [0,1,0,1,0,0|1,0,1]=4 418 B9R1.35 CC1=NC(C(=O)O)=CO1 RT14087 [0,1,0,1,0,0|1,0,1]=4 419 B9R1.35 CC1=NC=C(C(=O)O)S1 YH59279 [0,1,0,1,0,0|1,0,1]=4 420 B9R1.35 CC1CC[C@@H](C(=O)O)N1 YH93916 [0,1,0,1,0,0|0,0,2]=4 421 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 RT4824 [0,1,0,1,0,0|0,0,2]=4 422 B9R1.35 N[C@H]1C=C[C@H](C(=O)O)C1 YH65621 [0,1,0,1,0,0|0,0,2]=4 423 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 YH45929 [0,1,0,1,0,0|1,0,1]=4 424 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 JZ0404 [0,1,0,1,0,0|1,0,1]=4 425 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 LQ3156 [0,1,0,1,0,0|1,0,1]=4 426 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 LT1116 [0,1,0,1,0,0|1,0,1]=4 427 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 LT1117 [0,1,0,1,0,0|1,0,1]=4 428 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 YH39572 [0,1,0,1,0,0|1,0,1]=4 429 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 LT1114 [0,1,0,1,0,0|1,0,1]=4 430 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 LQ2269 [0,1,0,1,0,0|1,0,1]=4 431 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 YH18351 [0,1,0,1,0,0|1,0,1]=4 432 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HL2541 [0,1,0,1,0,0|1,0,1]=4 433 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 LL2236 [0,1,0,1,0,0|1,0,1]=4 434 B9R1.35 O=C1C=C(C(=O)O)CC1 LX3058 [0,1,0,1,0,0|0,0,1]=3 435 B9R1.110 N[C@@H](C(=O)O)C1CCC1 LX3279 [0,1,0,1,0,0|0,0,2]=4 436 B9R1.110 N[C@H](C(=O)O)C1CCC1 YH03378 [0,1,0,1,0,0|0,0,2]=4 437 B9R1.112 N[C@H](CC1CC1)C(=O)O YH28806 [0,1,0,1,0,0|0,0,2]=4 438 B9R1.163 O=C(O)C1(O)CCCC1 JZ5118 [0,1,0,1,0,0|0,0,2]=4