0 B7R0.5 C#CC[C@@H](N)C(=O)O A41167 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.5 C#CC[C@@H](N)C(=O)O A41354 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.5 C#CC[C@H](N)C(=O)O A41168 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.5 C#CC[C@H](N)C(=O)O A41353 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.5 C#CC[C@H](N)C(=O)O A41355 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.5 C=CC[C@@H](N)C(=O)O A41371 [0,0,0,0,0,0|1,0,2]=3 6 B7R0.5 C=CC[C@H](N)C(=O)O A68612 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.5 CCC=C(C)C(=O)O M39198 [0,0,0,0,0,0|0,0,2]=2 8 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [0,0,0,0,0,0|1,0,0]=1 9 B7R0.5 CCC[C@H](O)C(=O)O H40390 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.5 CCOC(=O)C(=O)O E36772 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.5 CCOC(=O)C(C)=O E60800 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.5 CCOC(=O)C(N)=O E60589 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.5 CC\C=C(/C)C(=O)O M41462 [0,0,0,0,0,0|0,0,2]=2 14 B7R0.5 COC[C@@H](N)C(=O)O A40353 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.5 COC[C@@H](N)C(=O)O A61058 [0,0,0,0,0,0|2,0,0]=2 16 B7R0.5 COC[C@H](Br)C(=O)O B40233 [0,0,0,0,0,0|2,0,0]=2 17 B7R0.5 COC[C@H](N)C(=O)O A40354 [0,0,0,0,0,0|2,0,0]=2 18 B7R0.5 COC[C@H](N)C(=O)O A67760 [0,0,0,0,0,0|2,0,0]=2 19 B7R0.5 NCC[C@@H](N)C(=O)O D40355 [0,0,0,0,0,0|2,0,0]=2 20 B7R0.5 NCC[C@H](F)C(=O)O A63044 [0,0,0,0,0,0|2,0,0]=2 21 B7R0.5 NCC[C@H](N)C(=O)O D37858 [0,0,0,0,0,0|2,0,0]=2 22 B7R0.5 NCC[C@H](N)C(=O)O D68313 [0,0,0,0,0,0|2,0,0]=2 23 B7R0.5 NCC[C@H](O)C(=O)O A39157 [0,0,0,0,0,0|2,0,0]=2 24 B7R0.5 NOC[C@H](N)C(=O)O A39931 [0,0,0,0,0,0|3,0,0]=3 25 B7R0.5 N[C@@H](CCBr)C(=O)O A37762 [0,0,0,0,0,0|2,0,0]=2 26 B7R0.5 N[C@@H](CCO)C(=O)O A68603 [0,0,0,0,0,0|2,0,0]=2 27 B7R0.5 N[C@@H](CCS)C(=O)O H68345 [0,0,0,0,0,0|2,0,0]=2 28 B7R0.5 N[C@H](CCO)C(=O)O A68363 [0,0,0,0,0,0|2,0,0]=2 29 B7R0.5 N[C@H](CCS)C(=O)O A66150 [0,0,0,0,0,0|2,0,0]=2 30 B6R0.1 CCC[C@@H](Cl)CC C63946 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.1 CCC[C@H](N)CO A40443 [1,0,0,0,0,0|1,0,1]=3 32 B6R0.1 CCC[C@H](N)CO A66421 [1,0,0,0,0,0|1,0,1]=3 33 B6R0.1 CCO\C(C)=N\O E68624 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.1 CNC[C@H](O)CO M37886 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.1 CO[C@@H](C)CCO M68623 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.3 C=C(CBr)C(=O)O B40169 [1,0,0,0,0,0|1,0,2]=4 37 B6R0.3 C=C[C@H](C)C(=O)O M60559 [1,0,0,0,0,0|0,0,2]=3 38 B6R0.3 C=C[C@H](N)C(=O)O A40334 [1,0,0,0,0,0|1,0,2]=4 39 B6R0.3 CCC(=O)C(=O)[O-] S40297 [1,0,0,0,0,0|1,0,2]=4 40 B6R0.3 CCN(C)C(=O)Cl E40250 [1,0,0,0,0,0|2,0,0]=3 41 B6R0.3 CCN(C)C(C)=O E40404 [1,0,0,0,0,0|2,0,0]=3 42 B6R0.3 CC[C@@H](C)C(=O)O M40381 [1,0,0,0,0,0|0,0,0]=1 43 B6R0.3 CC[C@@H](N)C(N)=O A40305 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.3 CC[C@H](C)B(O)O B39967 [1,0,0,0,0,0|1,0,1]=3 45 B6R0.3 CC[C@H](N)C(=O)O A40349 [1,0,0,0,0,0|1,0,0]=2 46 B6R0.3 CC[C@H](N)C(=O)O A68376 [1,0,0,0,0,0|1,0,0]=2 47 B6R0.3 CC[C@H](N)C(N)=O A64477 [1,0,0,0,0,0|2,0,0]=3 48 B6R0.3 CC[C@H](O)C(=O)O H23105 [1,0,0,0,0,0|1,0,0]=2 49 B6R0.3 CN[C@@H](C)C(=O)O M68914 [1,0,0,0,0,0|1,0,0]=2 50 B6R0.3 CN[C@H](C)C(=O)O M63076 [1,0,0,0,0,0|1,0,0]=2 51 B6R0.3 CON(C)C(C)=O M3307 [1,0,0,0,0,0|3,0,0]=4 52 B6R0.3 CO[C@@H](C)C(=O)O M11053 [1,0,0,0,0,0|1,0,0]=2 53 B6R0.3 CO[C@@H](C)C(=O)O M69861 [1,0,0,0,0,0|1,0,0]=2 54 B6R0.3 CO[C@H](C)C(=O)O M8894 [1,0,0,0,0,0|1,0,0]=2 55 B6R0.3 C[C@H](CN)C(=O)O A40352 [1,0,0,0,0,0|1,0,0]=2 56 B6R0.3 NC(=O)[C@H](N)CO A39930 [1,0,0,0,0,0|3,0,0]=4 57 B6R0.3 NC[C@@H](O)C(=O)O A39878 [1,0,0,0,0,0|2,0,0]=3 58 B6R0.3 NC[C@H](N)C(=O)O D39929 [1,0,0,0,0,0|2,0,0]=3 59 B6R0.3 NC[C@H](O)C(=O)O S39877 [1,0,0,0,0,0|2,0,0]=3 60 B6R0.3 N[C@@H](CS)C(=O)O A39926 [1,0,0,0,0,0|2,0,0]=3 61 B6R0.3 N[C@H](CCl)C(=O)O A39869 [1,0,0,0,0,0|2,0,0]=3 62 B6R0.3 N[C@H](CCl)C(=O)O A63558 [1,0,0,0,0,0|2,0,0]=3 63 B6R0.3 N[C@H](CS)C(=O)O A37860 [1,0,0,0,0,0|2,0,0]=3 64 B6R0.3 N[C@H](CS)C(=O)O C67456 [1,0,0,0,0,0|2,0,0]=3 65 B6R0.3 N[C@H](CS)C(=O)O C69203 [1,0,0,0,0,0|2,0,0]=3 66 B6R0.3 O=C(O)[C@@H](Br)CBr D39848 [1,0,0,0,0,0|2,0,0]=3 67 B6R0.3 O=C(O)[C@@H](O)CO D38851 [1,0,0,0,0,0|2,0,0]=3 68 B6R0.4 C#CCCC(=O)O P68088 [1,0,0,0,0,0|0,0,2]=3 69 B6R0.4 C=CCCC(=O)O P37823 [1,0,0,0,0,0|0,0,2]=3 70 B6R0.4 C=CCCC(N)=O P5022 [1,0,0,0,0,0|1,0,2]=4 71 B6R0.4 CC(=O)CCCCl C68599 [1,0,0,0,0,0|2,0,0]=3 72 B6R0.4 CC(=O)NCCN A68626 [1,0,0,0,0,0|3,0,0]=4 73 B6R0.4 CC(=O)NCCO H68625 [1,0,0,0,0,0|3,0,0]=4 74 B6R0.4 CC(=O)OCCBr B67892 [1,0,0,0,0,0|3,0,0]=4 75 B6R0.4 CCCCC(=N)N P41343 [1,0,0,0,0,0|2,0,0]=3 76 B6R0.4 CCCCC(=O)[O-] S38573 [1,0,0,0,0,0|0,0,1]=2 77 B6R0.4 CCCOC(N)=O P40264 [1,0,0,0,0,0|2,0,0]=3 78 B6R0.4 CNCCC(=O)O M40350 [1,0,0,0,0,0|1,0,0]=2 79 B6R0.4 COCCC(=O)O M40255 [1,0,0,0,0,0|1,0,0]=2 80 B6R0.4 N#CCCC(=O)O C69146 [1,0,0,0,0,0|1,0,1]=3 81 B6R0.4 NCCCC(N)=O A40304 [1,0,0,0,0,0|2,0,0]=3 82 B6R0.4 O=C(O)CCCBr B39154 [1,0,0,0,0,0|1,0,0]=2 83 B6R0.4 O=C(O)CCCCl C40232 [1,0,0,0,0,0|1,0,0]=2 84 B6R0.4 O=C(O)\C=C\CBr B37272 [1,0,0,0,0,0|1,0,2]=4 85 B8R0.2 COC(=O)[C@@H](C)C(=O)O M38995 [0,1,0,0,0,0|1,0,1]=3 86 B8R0.2 COC(=O)[C@@H](C)C(C)=O M65039 [0,1,0,0,0,0|2,0,1]=4 87 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O A61564 [0,1,0,0,0,0|2,0,0]=3 88 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O A68038 [0,1,0,0,0,0|2,0,0]=3 89 B8R0.3 C=CC[C@H](N)C(=O)OC M37082 [0,1,0,0,0,0|1,0,2]=4 90 B8R0.3 CCC[C@@H](N)C(=O)OC M66692 [0,1,0,0,0,0|1,0,0]=2 91 B8R0.3 CCC[C@H](N)C(=O)OC M43489 [0,1,0,0,0,0|1,0,0]=2 92 B8R0.3 CCN[C@@H](C)C(=O)OC M32327 [0,1,0,0,0,0|1,0,0]=2 93 B8R0.3 COC[C@@H](N)C(=O)OC M38225 [0,1,0,0,0,0|2,0,0]=3 94 B8R0.8 C=CCC[C@H](N)C(=O)O A41502 [0,1,0,0,0,0|1,0,1]=3 95 B8R0.8 CC#CC[C@H](N)C(=O)O A32035 [0,1,0,0,0,0|1,0,1]=3 96 B8R0.8 CCCC[C@H](N)C(=O)O A68582 [0,1,0,0,0,0|1,0,0]=2 97 B8R0.8 CSCCC(O)C(=O)[O-] C54080 [0,1,0,0,0,0|1,0,1]=3 98 B8R0.8 CSCC[C@H](N)C(=O)O M60616 [0,1,0,0,0,0|1,0,0]=2 99 B8R0.12 C=CCC(C)(C)C(=O)O D38170 [0,1,0,0,0,0|0,0,2]=3 100 B8R0.12 C=CCC(F)(F)C(=O)O D68045 [0,1,0,0,0,0|1,0,2]=4 101 B8R0.23 CC(=O)C[C@H](C)C(=O)O M14719 [0,1,0,0,0,0|0,0,1]=2 102 B8R0.23 CC(=O)N[C@H](C)C(=O)O A68583 [0,1,0,0,0,0|1,0,1]=3 103 B8R0.23 CC(=O)O[C@@H](C)C(=O)O A64092 [0,1,0,0,0,0|1,0,1]=3 104 B8R0.23 CC(=O)O[C@H](C)C(=O)O A64091 [0,1,0,0,0,0|1,0,1]=3 105 B8R0.23 CC(C)C[C@@H](N)C(=O)O L64923 [0,1,0,0,0,0|1,0,0]=2 106 B8R0.23 CC(C)C[C@@H](O)C(=O)O H41559 [0,1,0,0,0,0|1,0,0]=2 107 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41525 [0,1,0,0,0,0|1,0,0]=2 108 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41526 [0,1,0,0,0,0|1,0,0]=2 109 B8R0.23 CC(C)C[C@H](O)C(=O)O H37072 [0,1,0,0,0,0|1,0,0]=2 110 B8R0.23 C[C@@H](CC(=O)O)C(=O)O M41232 [0,1,0,0,0,0|1,0,1]=3 111 B8R0.23 C[C@@H](CN(C)C)[N+](=O)[O-] D65436 [0,1,0,0,0,0|2,0,1]=4 112 B8R0.23 N[C@@H](CC(=O)O)C(=O)O A68901 [0,1,0,0,0,0|2,0,1]=4 113 B8R0.23 N[C@@H](CS(=O)O)C(=O)O A69057 [0,1,0,0,0,0|3,0,0]=4 114 B8R1.5 CC1=NCCCN1C D39201 [0,0,0,1,0,0|3,0,0]=4 115 B8R1.5 CC1CCNCC1O H11697 [0,0,0,1,0,0|2,0,1]=4 116 B8R1.5 CC1CCNCC1O H11698 [0,0,0,1,0,0|2,0,1]=4 117 B8R1.5 CC1CNCCC1O M17031 [0,0,0,1,0,0|2,0,1]=4 118 B8R1.5 CC1CNCCC1O M41575 [0,0,0,1,0,0|2,0,1]=4 119 B8R1.5 CN1CCNCC1=O M12652 [0,0,0,1,0,0|3,0,0]=4 120 B8R1.5 CN1CCNCC1=O M4395 [0,0,0,1,0,0|3,0,0]=4 121 B8R1.5 C[C@@H]1CCCC[C@@H]1N M46507 [0,0,0,1,0,0|2,0,1]=4 122 B8R1.5 C[C@@H]1CCNC[C@@H]1O H14889 [0,0,0,1,0,0|2,0,1]=4 123 B8R1.5 C[C@@H]1CCNC[C@H]1O H11699 [0,0,0,1,0,0|2,0,1]=4 124 B8R1.5 C[C@@H]1CCNC[C@H]1O H14888 [0,0,0,1,0,0|2,0,1]=4 125 B8R1.5 C[C@@H]1CNCC[C@H]1O M30026 [0,0,0,1,0,0|2,0,1]=4 126 B8R1.5 C[C@H]1CCCCC1=O M68370 [0,0,0,1,0,0|1,0,0]=2 127 B8R1.5 C[C@H]1CCCNC1=O P23372 [0,0,0,1,0,0|1,0,0]=2 128 B8R1.5 C[C@H]1CCNCC1=O M14887 [0,0,0,1,0,0|2,0,0]=3 129 B8R1.5 C[C@H]1CCNC[C@H]1O H11700 [0,0,0,1,0,0|2,0,1]=4 130 B8R1.5 C[C@H]1CNCCC1=O M14880 [0,0,0,1,0,0|2,0,0]=3 131 B8R1.5 C[C@H]1CNCCC1=O M41497 [0,0,0,1,0,0|2,0,0]=3 132 B8R1.5 C[C@H]1COCCC1=O M11408 [0,0,0,1,0,0|2,0,0]=3 133 B8R1.5 NN1CCCCC1=O A41312 [0,0,0,1,0,0|3,0,0]=4 134 B8R1.5 N[C@@H]1CCCC[C@H]1O A41577 [0,0,0,1,0,0|2,0,1]=4 135 B8R1.5 N[C@@H]1CCCC[C@H]1O A43481 [0,0,0,1,0,0|2,0,1]=4 136 B8R1.5 N[C@@H]1CCCNC1=O A41314 [0,0,0,1,0,0|2,0,0]=3 137 B8R1.5 N[C@H]1CCCCC1=O A63504 [0,0,0,1,0,0|2,0,0]=3 138 B8R1.5 N[C@H]1CCCC[C@@H]1O A43482 [0,0,0,1,0,0|2,0,1]=4 139 B8R1.5 N[C@H]1CCCC[C@@H]1O A64879 [0,0,0,1,0,0|2,0,1]=4 140 B8R1.5 N[C@H]1CCCC[C@H]1O A38152 [0,0,0,1,0,0|2,0,1]=4 141 B8R1.5 N[C@H]1CCCC[C@H]1O A43479 [0,0,0,1,0,0|2,0,1]=4 142 B8R1.5 N[C@H]1CCCNC1=O A38933 [0,0,0,1,0,0|2,0,0]=3 143 B8R1.5 N[C@H]1CCCNC1=O A41313 [0,0,0,1,0,0|2,0,0]=3 144 B8R1.5 N[C@H]1CCCNC1=O A64847 [0,0,0,1,0,0|2,0,0]=3 145 B8R1.5 O=C1CCCCC1=O C67839 [0,0,0,1,0,0|2,0,1]=4 146 B8R1.5 O=C1CCNC[C@@H]1F F11694 [0,0,0,1,0,0|3,0,0]=4 147 B8R1.5 O=C1CCNC[C@@H]1F F13759 [0,0,0,1,0,0|3,0,0]=4 148 B8R1.5 O=C1CCOC[C@@H]1Br B7711 [0,0,0,1,0,0|3,0,0]=4 149 B8R1.5 O=C1CCOC[C@@H]1F F5739 [0,0,0,1,0,0|3,0,0]=4 150 B8R1.5 O=C1NCCC[C@@H]1Br B41219 [0,0,0,1,0,0|2,0,0]=3 151 B8R1.5 O=C1NCCC[C@@H]1O H36756 [0,0,0,1,0,0|2,0,0]=3 152 B8R1.5 OC1CCCCC1Cl C41533 [0,0,0,1,0,0|2,0,1]=4 153 B8R1.5 O[C@H]1CCCC[C@H]1O C61980 [0,0,0,1,0,0|2,0,1]=4 154 B8R1.7 CC(=O)C1CCCC1 C69351 [0,0,0,1,0,0|1,0,0]=2 155 B8R1.7 CC(=O)[C@H]1NCCS1 T41381 [0,0,0,1,0,0|3,0,0]=4 156 B8R1.7 CC(O)C1CCNC1 P61134 [0,0,0,1,0,0|2,0,1]=4 157 B8R1.7 C[C@H](N)C1CCCC1 C31670 [0,0,0,1,0,0|2,0,1]=4 158 B8R1.7 N=C(N)[C@@H]1CCCN1 P69767 [0,0,0,1,0,0|3,0,0]=4 159 B8R1.7 N=C(N)[C@@H]1CCCO1 T41316 [0,0,0,1,0,0|3,0,0]=4 160 B8R1.7 NC(=O)[C@@H]1CCCN1 P23637 [0,0,0,1,0,0|2,0,0]=3 161 B8R1.7 NC(=O)[C@@H]1CCCN1 P64914 [0,0,0,1,0,0|2,0,0]=3 162 B8R1.7 NC(=O)[C@@H]1CCCN1 P67734 [0,0,0,1,0,0|2,0,0]=3 163 B8R1.7 NC(=O)[C@@H]1CCNC1 P0296 [0,0,0,1,0,0|2,0,0]=3 164 B8R1.7 NC(=O)[C@H]1CCCN1 P40370 [0,0,0,1,0,0|2,0,0]=3 165 B8R1.7 NC(=O)[C@H]1CCNC1 P0295 [0,0,0,1,0,0|2,0,0]=3 166 B8R1.7 NC(=O)[C@H]1CCNC1 P1146 [0,0,0,1,0,0|2,0,0]=3 167 B8R1.7 NC(=O)[C@H]1CCNC1 P7510 [0,0,0,1,0,0|2,0,0]=3 168 B8R1.7 NC(=O)[C@H]1CCNC1 P7511 [0,0,0,1,0,0|2,0,0]=3 169 B8R1.7 NC(=O)[C@H]1CCOC1 T11900 [0,0,0,1,0,0|2,0,0]=3 170 B8R1.7 O=C(Cl)[C@H]1CCOC1 T41177 [0,0,0,1,0,0|2,0,0]=3 171 B8R1.7 O=C(O)C1=CCCC1 C43305 [0,0,0,1,0,0|0,0,2]=3 172 B8R1.7 O=C(O)C1=COCC1 D8190 [0,0,0,1,0,0|1,0,2]=4 173 B8R1.7 O=C(O)C1CC=CC1 C11537 [0,0,0,1,0,0|0,0,2]=3 174 B8R1.7 O=C(O)C1CCCC1 C23144 [0,0,0,1,0,0|0,0,0]=1 175 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41170 [0,0,0,1,0,0|1,0,2]=4 176 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41356 [0,0,0,1,0,0|1,0,2]=4 177 B8R1.7 O=C(O)[C@@H]1CCCN1 P69799 [0,0,0,1,0,0|1,0,0]=2 178 B8R1.7 O=C(O)[C@@H]1CCCO1 T37842 [0,0,0,1,0,0|1,0,0]=2 179 B8R1.7 O=C(O)[C@@H]1CCCO1 X25975 [0,0,0,1,0,0|1,0,0]=2 180 B8R1.7 O=C(O)[C@@H]1CCCS1 T41225 [0,0,0,1,0,0|1,0,0]=2 181 B8R1.7 O=C(O)[C@@H]1CCNC1 P12309 [0,0,0,1,0,0|1,0,0]=2 182 B8R1.7 O=C(O)[C@@H]1CCNC1 P6961 [0,0,0,1,0,0|1,0,0]=2 183 B8R1.7 O=C(O)[C@@H]1CCOC1 T1673 [0,0,0,1,0,0|1,0,0]=2 184 B8R1.7 O=C(O)[C@@H]1COCN1 X40338 [0,0,0,1,0,0|2,0,0]=3 185 B8R1.7 O=C(O)[C@H]1CCCO1 T25974 [0,0,0,1,0,0|1,0,0]=2 186 B8R1.7 O=C(O)[C@H]1CCNC1 P1152 [0,0,0,1,0,0|1,0,0]=2 187 B8R1.7 O=C(O)[C@H]1CCNC1 P1524 [0,0,0,1,0,0|1,0,0]=2 188 B8R1.7 O=C(O)[C@H]1CCNC1 P15767 [0,0,0,1,0,0|1,0,0]=2 189 B8R1.7 O=C(O)[C@H]1CCNC1 P41372 [0,0,0,1,0,0|1,0,0]=2 190 B8R1.7 O=C(O)[C@H]1CCOC1 T0394 [0,0,0,1,0,0|1,0,0]=2 191 B8R1.7 O=C(O)[C@H]1CCOC1 T0395 [0,0,0,1,0,0|1,0,0]=2 192 B8R1.7 O=C(O)[C@H]1CSCN1 T63317 [0,0,0,1,0,0|2,0,0]=3 193 B8R1.7 OB(O)C1CCCC1 C2400 [0,0,0,1,0,0|1,0,1]=3 194 B8R1.18 CC1=CC(=O)[C@H](C)O1 D43303 [0,0,0,1,0,0|2,0,1]=4 195 B8R1.18 CN1C[C@@H](N)CC1=O A14746 [0,0,0,1,0,0|3,0,0]=4 196 B8R1.18 C[C@@H]1NC(=O)OC1=O M40162 [0,0,0,1,0,0|2,0,1]=4 197 B8R1.18 C[C@H]1CC(=O)OC1=O M41122 [0,0,0,1,0,0|1,0,1]=3 198 B8R1.23 C=C1CC(C(=O)O)C1 M10240 [0,0,0,1,0,0|0,0,2]=3 199 B8R1.23 CC(=O)C1CC(O)C1 H22946 [0,0,0,1,0,0|2,0,0]=3 200 B8R1.23 CC(=O)N1CC(N)C1 A11253 [0,0,0,1,0,0|3,0,0]=4 201 B8R1.23 CC(=O)N1CC(O)C1 A15322 [0,0,0,1,0,0|3,0,0]=4 202 B8R1.23 CC1CC(C(=O)O)C1 M14949 [0,0,0,1,0,0|0,0,0]=1 203 B8R1.23 CN1CC(C(=O)O)C1 M0190 [0,0,0,1,0,0|1,0,0]=2 204 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 M10526 [0,0,0,1,0,0|0,0,0]=1 205 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 M10527 [0,0,0,1,0,0|0,0,0]=1 206 B8R1.23 NC1CC(C(=O)O)C1 A12181 [0,0,0,1,0,0|1,0,0]=2 207 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 A0232 [0,0,0,1,0,0|1,0,0]=2 208 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SB7470 [0,0,0,1,0,0|1,0,0]=2 209 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 A0233 [0,0,0,1,0,0|1,0,0]=2 210 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SB7471 [0,0,0,1,0,0|1,0,0]=2 211 B8R1.23 O=C(O)C1CC(Cl)C1 C15268 [0,0,0,1,0,0|1,0,0]=2 212 B8R1.23 O=C(O)C1CC(F)C1 F0317 [0,0,0,1,0,0|1,0,0]=2 213 B8R1.23 O=C(O)C1CC(O)C1 H12369 [0,0,0,1,0,0|1,0,0]=2 214 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 F59936 [0,0,0,1,0,0|1,0,0]=2 215 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 H11727 [0,0,0,1,0,0|1,0,0]=2 216 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 C29816 [0,0,0,1,0,0|1,0,0]=2 217 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 F60295 [0,0,0,1,0,0|1,0,0]=2 218 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 H14950 [0,0,0,1,0,0|1,0,0]=2 219 B8R1.23 O=C1CC(C(=O)O)C1 X1338 [0,0,0,1,0,0|1,0,1]=3 220 B8R1.23 O=C1C[C@@H](C(=O)O)N1 X14543 [0,0,0,1,0,0|2,0,1]=4 221 B8R1.30 C=C1C[C@]1(N)C(=O)O A65491 [0,0,0,1,0,0|1,0,2]=4 222 B8R1.43 N#CC1CC1C(=O)O C24298 [0,0,0,1,0,0|1,0,1]=3 223 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O C23494 [0,0,0,1,0,0|1,0,1]=3 224 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O C25179 [0,0,0,1,0,0|1,0,1]=3 225 B8R1.54 N[C@@H](C(=O)O)C1CC1 A11037 [0,0,0,1,0,0|1,0,0]=2 226 B8R1.54 N[C@H](C(=O)O)C1CC1 A67725 [0,0,0,1,0,0|1,0,0]=2 227 B8R1.54 O=C(O)C(=O)C1CC1 C41121 [0,0,0,1,0,0|1,0,1]=3 228 B8R1.78 CC(=O)C1(C)COC1 M7156 [0,0,0,1,0,0|2,0,0]=3 229 B8R1.78 CC1(C(=O)O)CCC1 M11732 [0,0,0,1,0,0|0,0,0]=1 230 B8R1.78 CC1(C(=O)O)CNC1 M29556 [0,0,0,1,0,0|1,0,0]=2 231 B8R1.78 CC1(C(=O)O)COC1 M6214 [0,0,0,1,0,0|1,0,0]=2 232 B8R1.78 NC1(C(=O)O)CCC1 A10609 [0,0,0,1,0,0|1,0,0]=2 233 B8R1.78 NC1(C(=O)O)CCC1 A26979 [0,0,0,1,0,0|1,0,0]=2 234 B8R1.78 NC1(C(=O)O)CNC1 A6058 [0,0,0,1,0,0|2,0,0]=3 235 B8R1.78 NC1(C(=O)O)COC1 A5828 [0,0,0,1,0,0|2,0,0]=3 236 B8R1.78 O=C(O)C1(F)CNC1 F11481 [0,0,0,1,0,0|2,0,0]=3 237 B8R1.78 O=C(O)C1(O)COC1 H60052 [0,0,0,1,0,0|2,0,0]=3 238 B8R0.5 C=CC[C@@H](N)CC(=O)O A43439 [0,0,0,0,0,1|1,0,2]=4 239 B8R0.5 CCC[C@H](N)CC(=O)O A43488 [0,0,0,0,0,1|1,0,0]=2 240 B8R0.5 CCC\C(C)=C\C(=O)O M62391 [0,0,0,0,0,1|0,0,1]=2 241 B5R0.1 C#CCC(=O)O B38084 [2,0,0,0,0,0|0,0,2]=4 242 B5R0.1 C=C(C)OCC E5573 [2,0,0,0,0,0|1,0,1]=4 243 B5R0.1 C=CC[C@H](C)O P62507 [2,0,0,0,0,0|0,0,2]=4 244 B5R0.1 CC#CC(=O)O B67945 [2,0,0,0,0,0|0,0,2]=4 245 B5R0.1 CC#C[C@H](C)O B1790 [2,0,0,0,0,0|0,0,2]=4 246 B5R0.1 CC(=O)CCCl C69539 [2,0,0,0,0,0|1,0,1]=4 247 B5R0.1 CCCB(O)O P5056 [2,0,0,0,0,0|1,0,1]=4 248 B5R0.1 CCC[C@@H](C)N P16023 [2,0,0,0,0,0|1,0,0]=3 249 B5R0.1 CCC[C@H](C)N P22363 [2,0,0,0,0,0|1,0,0]=3 250 B5R0.1 CNCC(=O)O M68590 [2,0,0,0,0,0|1,0,0]=3 251 B5R0.1 CNCC(N)=O M68358 [2,0,0,0,0,0|2,0,0]=4 252 B5R0.1 COCC(=O)O M69331 [2,0,0,0,0,0|1,0,0]=3 253 B5R0.1 COC[C@@H](C)N M40311 [2,0,0,0,0,0|2,0,0]=4 254 B5R0.1 COC[C@@H](C)O M39959 [2,0,0,0,0,0|1,0,0]=3 255 B5R0.1 COC[C@H](C)O M61064 [2,0,0,0,0,0|1,0,0]=3 256 B5R0.1 C[C@@H](N)CCO A10772 [2,0,0,0,0,0|2,0,0]=4 257 B5R0.1 C[C@H](N)CCO A10771 [2,0,0,0,0,0|2,0,0]=4 258 B5R0.1 C[C@H](N)CCO A39964 [2,0,0,0,0,0|2,0,0]=4 259 B5R0.1 C[C@H](O)CCO B68917 [2,0,0,0,0,0|1,0,0]=3 260 B5R0.1 NCCC(N)=O A67869 [2,0,0,0,0,0|2,0,0]=4 261 B5R0.1 NCC[P@H](=O)O A39788 [2,0,0,0,0,0|2,0,0]=4 262 B5R0.1 NOCC(=O)O C40302 [2,0,0,0,0,0|2,0,0]=4 263 B5R0.2 C=CCCCBr B41237 [2,0,0,0,0,0|2,0,0]=4 264 B5R0.2 C=CCCCCl C41238 [2,0,0,0,0,0|2,0,0]=4 265 B5R0.2 C=CCCCO P36921 [2,0,0,0,0,0|2,0,0]=4 266 B5R0.2 CCCCON B40310 [2,0,0,0,0,0|2,0,0]=4 267 B5R0.2 CNCCCO M36844 [2,0,0,0,0,0|1,0,1]=4 268 B5R0.2 COCCCO M69411 [2,0,0,0,0,0|1,0,1]=4 269 B5R0.2 OCCCCBr B67330 [2,0,0,0,0,0|1,0,1]=4 270 B5R0.3 CC(CO)CO M60880 [2,0,0,0,0,0|1,0,1]=4 271 B5R0.3 CC[C@@H](N)CO A39144 [2,0,0,0,0,0|1,0,1]=4 272 B5R0.3 CC[C@@H](O)CO B39955 [2,0,0,0,0,0|1,0,1]=4 273 B5R0.3 CC[C@H](N)CO A39145 [2,0,0,0,0,0|1,0,1]=4 274 B5R0.3 CC[C@H](O)CO B39956 [2,0,0,0,0,0|1,0,1]=4 275 B5R0.3 CO[C@@H](C)CO M68380 [2,0,0,0,0,0|1,0,1]=4 276 B5R0.3 CO[C@H](C)CO M68381 [2,0,0,0,0,0|1,0,1]=4 277 B5R0.3 O=C[C@H](O)CO D39873 [2,0,0,0,0,0|2,0,0]=4 278 B5R0.5 CC(C)B(O)O P39893 [2,0,0,0,0,0|1,0,1]=4 279 B5R0.5 CC(C)C(=N)N B40303 [2,0,0,0,0,0|2,0,0]=4 280 B5R0.5 CC(C)C(N)=O I4848 [2,0,0,0,0,0|1,0,0]=3 281 B5R0.5 CC(C)C(N)=S M3101 [2,0,0,0,0,0|1,1,0]=4 282 B5R0.5 CC(C)[S@](=O)[O-] S66891 [2,0,0,0,0,0|1,0,1]=4 283 B5R0.5 CC(O)C(=O)[O-] C60888 [2,0,0,0,0,0|1,0,1]=4 284 B5R0.5 C[C@@H](Cl)C(=O)O C60901 [2,0,0,0,0,0|1,0,0]=3 285 B5R0.5 C[C@@H](N)C(N)=O A69602 [2,0,0,0,0,0|2,0,0]=4 286 B5R0.5 C[C@@H](O)C(N)=O H68918 [2,0,0,0,0,0|2,0,0]=4 287 B5R0.5 C[C@H](N)C(=O)O A39925 [2,0,0,0,0,0|1,0,0]=3 288 B5R0.5 C[C@H](N)C(=O)O A60902 [2,0,0,0,0,0|1,0,0]=3 289 B7R0.2 CC(C)C[C@@H](N)CO L41620 [1,1,0,0,0,0|1,0,1]=4 290 B7R0.2 CC(C)C[C@H](N)CO A68907 [1,1,0,0,0,0|1,0,1]=4 291 B7R0.3 CCCC[C@@H](N)CO A43512 [1,1,0,0,0,0|1,0,1]=4 292 B7R0.7 CCC[C@H](N)CCO A43513 [1,1,0,0,0,0|1,0,1]=4 293 B7R0.10 CC[C@H](C)[C@H](N)CO K68906 [1,1,0,0,0,0|1,0,1]=4 294 B7R0.13 C#CC(C)(C)C(=O)O D24314 [1,1,0,0,0,0|0,0,2]=4 295 B7R0.13 C=CC(C)(C)C(=O)O D37320 [1,1,0,0,0,0|0,0,2]=4 296 B7R0.13 CC(C)(C#N)C(=O)O C62304 [1,1,0,0,0,0|1,0,1]=4 297 B7R0.13 CC(C)(CF)C(=O)O F41272 [1,1,0,0,0,0|1,0,0]=3 298 B7R0.13 CC(C)(CN)C(N)=O A12146 [1,1,0,0,0,0|2,0,0]=4 299 B7R0.13 CC(C)(CO)C(=O)O H68365 [1,1,0,0,0,0|1,0,0]=3 300 B7R0.13 CC[C@@](C)(N)C(=O)O K69340 [1,1,0,0,0,0|0,0,0]=2 301 B7R0.13 CC[C@](C)(N)C(=O)O K68055 [1,1,0,0,0,0|0,0,0]=2 302 B7R0.13 C[C@@](N)(CO)C(=O)O M36868 [1,1,0,0,0,0|1,0,0]=3 303 B7R0.13 C[C@](N)(CO)C(=O)O A32019 [1,1,0,0,0,0|1,0,0]=3 304 B7R0.13 C[C@](O)(CBr)C(=O)O B40235 [1,1,0,0,0,0|1,0,0]=3 305 B7R0.13 NCC(F)(F)C(=O)O A62796 [1,1,0,0,0,0|2,0,0]=4 306 B7R0.13 NCC(F)(F)C(=O)O A67336 [1,1,0,0,0,0|2,0,0]=4 307 B7R0.15 CCC(CC)C(=O)[O-] M43580 [1,1,0,0,0,0|0,0,1]=3 308 B7R0.15 O=C(O)C(CBr)CBr B40213 [1,1,0,0,0,0|1,0,0]=3 309 B7R0.15 O=C(O)C(CS)CS M67176 [1,1,0,0,0,0|1,0,0]=3 310 B7R0.16 CC(C)[C@@H](N)C(=O)O A60652 [1,1,0,0,0,0|1,0,0]=3 311 B7R0.16 CC(C)[C@@H](O)C(=O)O H64151 [1,1,0,0,0,0|1,0,0]=3 312 B7R0.16 CC(C)[C@H](N)C(=N)O V67982 [1,1,0,0,0,0|2,0,0]=4 313 B7R0.16 CC(C)[C@H](O)C(=O)O H40392 [1,1,0,0,0,0|1,0,0]=3 314 B7R0.16 CC(O)C(N)C(=O)O T61081 [1,1,0,0,0,0|1,0,0]=3 315 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O A67434 [1,1,0,0,0,0|1,0,0]=3 316 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O A40309 [1,1,0,0,0,0|2,0,0]=4 317 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O A68604 [1,1,0,0,0,0|1,0,0]=3 318 B7R0.4 C#CCCCC(=O)O H43301 [1,1,0,0,0,0|0,0,1]=3 319 B7R0.4 CC(=O)CCCCBr B41532 [1,1,0,0,0,0|1,0,0]=3 320 B7R0.4 CC(=O)OCCCBr B41266 [1,1,0,0,0,0|2,0,0]=4 321 B7R0.4 CC(=O)OCCCCl C39190 [1,1,0,0,0,0|2,0,0]=4 322 B7R0.4 CCCCCB(O)O P38628 [1,1,0,0,0,0|1,0,1]=4 323 B7R0.4 CCCCC[C@H](C)O H43947 [1,1,0,0,0,0|1,0,1]=4 324 B7R0.4 CCCCOC(N)=O B39165 [1,1,0,0,0,0|1,0,0]=3 325 B7R0.4 CCCOCC(=O)O P40387 [1,1,0,0,0,0|0,0,0]=2 326 B7R0.4 CCC\C=C\C(=O)O H41460 [1,1,0,0,0,0|0,0,1]=3 327 B7R0.4 CCOC=CC(=O)O E41226 [1,1,0,0,0,0|0,0,2]=4 328 B7R0.4 CNCCCC(=O)O M63276 [1,1,0,0,0,0|0,0,0]=2 329 B7R0.4 COCCCC(=O)O M67387 [1,1,0,0,0,0|0,0,0]=2 330 B7R0.4 COCCNC(N)=O M36648 [1,1,0,0,0,0|2,0,0]=4 331 B7R0.4 COC\C=C\C(=O)O M63576 [1,1,0,0,0,0|0,0,2]=4 332 B7R0.4 N#CCCCC(=O)O C41166 [1,1,0,0,0,0|0,0,1]=3 333 B7R0.4 NC(=O)COCCCl C40247 [1,1,0,0,0,0|2,0,0]=4 334 B7R0.4 O=C(O)CCCCBr B39187 [1,1,0,0,0,0|0,0,0]=2 335 B7R0.4 O=C(O)CCCCCl C39191 [1,1,0,0,0,0|0,0,0]=2 336 B7R0.4 O=C(O)CCCCO H37199 [1,1,0,0,0,0|0,0,0]=2 337 B7R0.4 O=C(O)CNCCO H40270 [1,1,0,0,0,0|1,0,0]=3 338 B7R0.4 O=C(O)COCCCl C40236 [1,1,0,0,0,0|1,0,0]=3 339 B7R0.4 O=C([O-])CCCCO S41306 [1,1,0,0,0,0|0,0,1]=3 340 B7R0.4 [N-]=[N+]=NCCC(=O)O A1939 [1,1,0,0,0,0|2,0,0]=4 341 B7R0.6 CC(=O)CCC(C)=O H64912 [1,1,0,0,0,0|1,0,1]=4 342 B7R0.6 CN(C)CCC(=O)O D41335 [1,1,0,0,0,0|1,0,0]=3 343 B7R0.6 C[C@H](O)CC[C@H](C)O H68605 [1,1,0,0,0,0|1,0,1]=4 344 B7R0.6 NC(=O)CCC(=O)O A63078 [1,1,0,0,0,0|1,0,1]=4 345 B7R0.6 O=C(O)CCC(F)F D59737 [1,1,0,0,0,0|1,0,0]=3 346 B9R0.34 CCCC(=O)CC(=O)OC M39290 [0,1,0,0,0,1|1,0,1]=4 347 B9R0.53 CC(C)C[C@H](N)CC(=O)O A43926 [0,1,0,0,0,1|1,0,0]=3 348 B9R0.53 CC(C)C[C@H](N)CC(=O)O A43928 [0,1,0,0,0,1|1,0,0]=3 349 B9R0.58 CCC[C@](C)(O)CC(=O)O H69517 [0,1,0,0,0,1|0,0,0]=2 350 B9R0.27 CCC(=O)[C@H](F)C(=O)OC M43406 [0,2,0,0,0,0|1,0,1]=4 351 B9R0.28 COC(=O)C(C)(C)C(=O)O M41478 [0,2,0,0,0,0|1,0,1]=4 352 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O A41594 [0,2,0,0,0,0|1,0,0]=3 353 B9R0.8 CCCC[C@H](N)C(=O)OC M46518 [0,2,0,0,0,0|1,0,0]=3 354 B9R0.8 COC(=O)[C@@H](Br)CCCBr M41466 [0,2,0,0,0,0|1,0,0]=3 355 B9R0.35 CCCC(=O)C(=O)OCC E43810 [0,2,0,0,0,0|1,0,1]=4 356 B9R0.35 CCC[C@H](C)C(=O)OCC E39445 [0,2,0,0,0,0|0,0,0]=2 357 B9R0.35 CCC[C@H](N)C(=O)OCC N65311 [0,2,0,0,0,0|1,0,0]=3 358 B9R0.7 CC(=O)OC[C@H](N)C(=O)O A41380 [0,2,0,0,0,0|1,0,1]=4 359 B9R0.7 CC(C)CC[C@@H](N)C(=O)O A43927 [0,2,0,0,0,0|1,0,0]=3 360 B9R0.7 C[C@H](CCC(=O)O)C(=O)O M62172 [0,2,0,0,0,0|0,0,1]=3 361 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O G69583 [0,2,0,0,0,0|1,0,1]=4 362 B9R0.13 CCCC[C@H](CC)C(=O)[O-] P46623 [0,2,0,0,0,0|0,0,1]=3 363 B9R0.42 COC(=O)C[C@@H](C)C(=O)O M41477 [0,2,0,0,0,0|0,0,1]=3 364 B9R0.42 COC(=O)C[C@@H](N)C(=O)O A61919 [0,2,0,0,0,0|1,0,1]=4 365 B9R0.42 COC(=O)C[C@H](N)C(=O)O M60837 [0,2,0,0,0,0|1,0,1]=4 366 B9R0.47 C=CCCC[C@H](N)C(=O)O A43841 [0,2,0,0,0,0|1,0,0]=3 367 B9R0.47 C=CCSC[C@@H](N)C(=O)O A41511 [0,2,0,0,0,0|1,0,1]=4 368 B9R0.47 C=CCSC[C@H](N)C(=O)O A36718 [0,2,0,0,0,0|1,0,1]=4 369 B9R0.47 CCCCC[C@@H](N)C(=O)O A43920 [0,2,0,0,0,0|1,0,0]=3 370 B9R0.47 CCCCC[C@H](N)C(=O)O A43919 [0,2,0,0,0,0|1,0,0]=3 371 B9R0.47 CCCCC[C@H](N)C(=O)O A43921 [0,2,0,0,0,0|1,0,0]=3 372 B9R0.47 NCCCC[C@@H](N)C(=O)O L64962 [0,2,0,0,0,0|1,0,0]=3 373 B9R0.47 NCCCC[C@H](N)C(N)=O D43569 [0,2,0,0,0,0|2,0,0]=4 374 B9R0.11 CC(C)(CC(=O)O)C(=O)O D68876 [0,2,0,0,0,0|1,0,1]=4 375 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O A43930 [0,2,0,0,0,0|0,0,0]=2 376 B9R0.15 C=CCC(CC=C)C(=O)O A47015 [0,2,0,0,0,0|0,0,2]=4 377 B9R0.39 CC(C)C[C@@H](CN)C(=O)O A43933 [0,2,0,0,0,0|0,0,0]=2 378 B9R0.39 CC(C)C[C@H](CN)C(=O)O A43932 [0,2,0,0,0,0|0,0,0]=2 379 B9R0.39 CC[C@@H](NC(C)=O)C(=O)O A41513 [0,2,0,0,0,0|1,0,1]=4 380 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O A43931 [0,2,0,0,0,0|1,0,0]=3 381 B7R1.1 BrCC1CCCC1 B23399 [1,0,0,1,0,0|1,0,1]=4 382 B7R1.1 NCC1CCCC1 C5395 [1,0,0,1,0,0|1,0,1]=4 383 B7R1.1 NNC1CCCC1 C22580 [1,0,0,1,0,0|2,0,0]=4 384 B7R1.1 O=CC1=CCCC1 C69466 [1,0,0,1,0,0|0,0,2]=4 385 B7R1.1 O=CC1CCCC1 C25963 [1,0,0,1,0,0|0,0,0]=2 386 B7R1.1 OCC1CCCC1 C23297 [1,0,0,1,0,0|0,0,1]=3 387 B7R1.1 OC[C@@H]1CCCN1 P1125 [1,0,0,1,0,0|1,0,1]=4 388 B7R1.1 OC[C@@H]1CCCN1 P1542 [1,0,0,1,0,0|1,0,1]=4 389 B7R1.1 OC[C@@H]1CCCO1 T40383 [1,0,0,1,0,0|1,0,1]=4 390 B7R1.1 OC[C@@H]1CCNC1 H11286 [1,0,0,1,0,0|1,0,1]=4 391 B7R1.1 OC[C@@H]1CCNC1 P1348 [1,0,0,1,0,0|1,0,1]=4 392 B7R1.1 OC[C@@H]1CCOC1 T0397 [1,0,0,1,0,0|1,0,1]=4 393 B7R1.1 OC[C@H]1CCCN1 P14128 [1,0,0,1,0,0|1,0,1]=4 394 B7R1.1 OC[C@H]1CCCN1 P67898 [1,0,0,1,0,0|1,0,1]=4 395 B7R1.1 OC[C@H]1CCCO1 T67581 [1,0,0,1,0,0|1,0,1]=4 396 B7R1.1 OC[C@H]1CCCO1 T68627 [1,0,0,1,0,0|1,0,1]=4 397 B7R1.1 OC[C@H]1CCNC1 H1594 [1,0,0,1,0,0|1,0,1]=4 398 B7R1.1 OC[C@H]1CCNC1 H7915 [1,0,0,1,0,0|1,0,1]=4 399 B7R1.1 OC[C@H]1CCNC1 P1155 [1,0,0,1,0,0|1,0,1]=4 400 B7R1.1 OC[C@H]1CCNC1 P41328 [1,0,0,1,0,0|1,0,1]=4 401 B7R1.1 OC[C@H]1CCNC1 P6954 [1,0,0,1,0,0|1,0,1]=4 402 B7R1.1 OC[C@H]1CCOC1 T0396 [1,0,0,1,0,0|1,0,1]=4 403 B7R1.1 OC[C@H]1CCOC1 T0398 [1,0,0,1,0,0|1,0,1]=4 404 B7R1.3 C[C@@H]1CCCNC1 M43474 [1,0,0,1,0,0|1,0,1]=4 405 B7R1.3 C[C@@H]1COCCN1 M26868 [1,0,0,1,0,0|1,0,1]=4 406 B7R1.3 C[C@@H]1COCCN1 M9009 [1,0,0,1,0,0|1,0,1]=4 407 B7R1.3 C[C@H]1CCCCN1 M43475 [1,0,0,1,0,0|2,0,0]=4 408 B7R1.3 C[C@H]1COCCN1 M23631 [1,0,0,1,0,0|1,0,1]=4 409 B7R1.3 C[C@H]1COCCN1 M41324 [1,0,0,1,0,0|1,0,1]=4 410 B7R1.3 C[C@H]1COCCN1 M8924 [1,0,0,1,0,0|1,0,1]=4 411 B7R1.3 N[C@@H]1CCCOC1 X18615 [1,0,0,1,0,0|1,0,1]=4 412 B7R1.3 N[C@H]1CCCOC1 T1132 [1,0,0,1,0,0|1,0,1]=4 413 B7R1.3 N[C@H]1CCCOC1 X17960 [1,0,0,1,0,0|1,0,1]=4 414 B7R1.3 O[C@@H]1CCCOC1 T15984 [1,0,0,1,0,0|1,0,1]=4 415 B7R1.3 O[C@H]1CCCOC1 H11398 [1,0,0,1,0,0|1,0,1]=4 416 B7R1.3 O[C@H]1CCCOC1 T25087 [1,0,0,1,0,0|1,0,1]=4 417 B7R1.4 CN1CCCC1=S M6872 [1,0,0,1,0,0|1,1,0]=4 418 B7R1.4 CN1CCNC1=O M40241 [1,0,0,1,0,0|2,0,0]=4 419 B7R1.4 C[C@@H]1CNC[C@@H]1O M22730 [1,0,0,1,0,0|1,0,1]=4 420 B7R1.4 C[C@@H]1OCCC1=O M41223 [1,0,0,1,0,0|1,0,0]=3 421 B7R1.4 C[C@H]1CCCC1=O M41458 [1,0,0,1,0,0|0,0,0]=2 422 B7R1.4 C[C@H]1CCNC1=O M41257 [1,0,0,1,0,0|1,0,0]=3 423 B7R1.4 C[C@H]1CCOC1=O M41224 [1,0,0,1,0,0|1,0,0]=3 424 B7R1.4 NC1CCCC1O A40401 [1,0,0,1,0,0|1,0,1]=4 425 B7R1.4 NN1CCCC1=O A22230 [1,0,0,1,0,0|2,0,0]=4 426 B7R1.4 N[C@@H]1CCC[C@@H]1O A67556 [1,0,0,1,0,0|1,0,1]=4 427 B7R1.4 N[C@@H]1CCC[C@H]1O A27146 [1,0,0,1,0,0|1,0,1]=4 428 B7R1.4 N[C@@H]1CCC[C@H]1O A40405 [1,0,0,1,0,0|1,0,1]=4 429 B7R1.4 N[C@@H]1CCC[C@H]1O A41326 [1,0,0,1,0,0|1,0,1]=4 430 B7R1.4 N[C@@H]1CCNC1=O A40242 [1,0,0,1,0,0|2,0,0]=4 431 B7R1.4 N[C@@H]1CCNC1=O A62971 [1,0,0,1,0,0|2,0,0]=4 432 B7R1.4 N[C@@H]1CCOC1=O H68344 [1,0,0,1,0,0|2,0,0]=4 433 B7R1.4 N[C@H]1CCC[C@@H]1O A24888 [1,0,0,1,0,0|1,0,1]=4 434 B7R1.4 N[C@H]1CCC[C@H]1O A41327 [1,0,0,1,0,0|1,0,1]=4 435 B7R1.4 N[C@H]1CCNC1=O A24294 [1,0,0,1,0,0|2,0,0]=4 436 B7R1.4 N[C@H]1CCOC1=O A40300 [1,0,0,1,0,0|2,0,0]=4 437 B7R1.4 N[C@H]1CCOC1=O A40335 [1,0,0,1,0,0|2,0,0]=4 438 B7R1.4 O=C1NCC[C@@H]1O H20173 [1,0,0,1,0,0|2,0,0]=4 439 B7R1.4 O=C1NCC[C@@H]1O H37914 [1,0,0,1,0,0|2,0,0]=4 440 B7R1.4 O=C1NCC[C@H]1O H40227 [1,0,0,1,0,0|2,0,0]=4 441 B7R1.4 O=C1OCC[C@@H]1Br B31114 [1,0,0,1,0,0|2,0,0]=4 442 B7R1.4 O[C@@H]1CCC[C@H]1O C67710 [1,0,0,1,0,0|1,0,1]=4 443 B7R1.6 CCNC1COC1 E8452 [1,0,0,1,0,0|1,0,1]=4 444 B7R1.6 CNCC1COC1 M8438 [1,0,0,1,0,0|1,0,1]=4 445 B7R1.6 OCCC1COC1 X6653 [1,0,0,1,0,0|1,0,1]=4 446 B7R1.10 NC1CC(CO)C1 A0314 [1,0,0,1,0,0|1,0,1]=4 447 B7R1.10 NC1CC(CO)C1 A12367 [1,0,0,1,0,0|1,0,1]=4 448 B7R1.10 N[C@H]1C[C@@H](CO)C1 A12639 [1,0,0,1,0,0|1,0,1]=4 449 B7R1.10 N[C@H]1C[C@@H](CO)C1 SB7650 [1,0,0,1,0,0|1,0,1]=4 450 B7R1.10 N[C@H]1C[C@H](CO)C1 A12640 [1,0,0,1,0,0|1,0,1]=4 451 B7R1.10 N[C@H]1C[C@H](CO)C1 SB7651 [1,0,0,1,0,0|1,0,1]=4 452 B7R1.10 OCC1CC(Cl)C1 C11852 [1,0,0,1,0,0|1,0,1]=4 453 B7R1.10 OCC1CC(F)C1 F31669 [1,0,0,1,0,0|1,0,1]=4 454 B7R1.10 OCC1CC(O)C1 H40382 [1,0,0,1,0,0|1,0,1]=4 455 B7R1.25 CC1(C=O)COC1 M6233 [1,0,0,1,0,0|1,0,0]=3 456 B7R1.25 CC1(CN)CCC1 M1145 [1,0,0,1,0,0|1,0,1]=4 457 B7R1.25 CC1(CN)CCC1 M14421 [1,0,0,1,0,0|1,0,1]=4 458 B7R1.25 CC1(CO)CNC1 M29667 [1,0,0,1,0,0|1,0,1]=4 459 B7R1.25 CC1(CO)COC1 M6652 [1,0,0,1,0,0|1,0,1]=4 460 B7R1.25 CC1(CO)CSC1 M1298 [1,0,0,1,0,0|1,0,1]=4 461 B7R1.25 NC1(CO)CCC1 A10610 [1,0,0,1,0,0|1,0,1]=4 462 B7R1.25 NC1(CO)CCC1 A13167 [1,0,0,1,0,0|1,0,1]=4 463 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [1,0,0,1,0,0|0,0,0]=2 464 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [1,0,0,1,0,0|0,0,0]=2 465 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [1,0,0,1,0,0|0,0,0]=2 466 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [1,0,0,1,0,0|0,0,0]=2 467 B7R1.12 O=C(O)C1CC1F F20460 [1,0,0,1,0,0|1,0,0]=3 468 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F F8695 [1,0,0,1,0,0|1,0,0]=3 469 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I K67056 [1,0,0,1,0,0|1,0,0]=3 470 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F18516 [1,0,0,1,0,0|1,0,0]=3 471 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F21701 [1,0,0,1,0,0|1,0,0]=3 472 B7R1.12 O=C(O)[C@H]1C[C@@H]1F F21702 [1,0,0,1,0,0|1,0,0]=3 473 B7R1.18 CC(=O)C1CCC1 C22926 [1,0,0,1,0,0|1,0,0]=3 474 B7R1.18 CC(=O)C1CNC1 A18542 [1,0,0,1,0,0|2,0,0]=4 475 B7R1.18 N=C(N)C1CCC1 C11379 [1,0,0,1,0,0|2,0,0]=4 476 B7R1.18 NC(=O)C1CCC1 C36760 [1,0,0,1,0,0|1,0,0]=3 477 B7R1.18 NC(=O)C1CNC1 A0189 [1,0,0,1,0,0|2,0,0]=4 478 B7R1.18 NC(=O)C1CNC1 A10232 [1,0,0,1,0,0|2,0,0]=4 479 B7R1.18 O=C(O)C1CCC1 C39184 [1,0,0,1,0,0|0,0,0]=2 480 B7R1.18 O=C(O)C1CNC1 A0022 [1,0,0,1,0,0|1,0,0]=3 481 B7R1.18 O=C(O)C1CNC1 A62344 [1,0,0,1,0,0|1,0,0]=3 482 B7R1.18 O=C(O)[C@@H]1CCN1 A0692 [1,0,0,1,0,0|1,0,0]=3 483 B7R1.18 O=C(O)[C@@H]1CCN1 A0705 [1,0,0,1,0,0|1,0,0]=3 484 B7R1.18 O=C(O)[C@@H]1CCO1 X60210 [1,0,0,1,0,0|1,0,0]=3 485 B7R1.18 O=C(O)[C@@H]1CCO1 X6939 [1,0,0,1,0,0|1,0,0]=3 486 B7R1.18 O=C(O)[C@H]1CCN1 A0706 [1,0,0,1,0,0|1,0,0]=3 487 B7R1.18 O=C(O)[C@H]1CCN1 A40336 [1,0,0,1,0,0|1,0,0]=3 488 B7R1.18 O=C(O)[C@H]1CCO1 X60294 [1,0,0,1,0,0|1,0,0]=3 489 B7R1.18 OB(O)C1CCC1 C38656 [1,0,0,1,0,0|1,0,1]=4 490 B7R1.19 CC1(C(=O)Cl)CC1 M21667 [1,0,0,1,0,0|1,0,0]=3 491 B7R1.19 CC1(C(=O)O)CC1 M10729 [1,0,0,1,0,0|0,0,0]=2 492 B7R1.19 CC1(C(N)=O)CC1 M41258 [1,0,0,1,0,0|1,0,0]=3 493 B7R1.19 NC(=O)C1(N)CC1 A29804 [1,0,0,1,0,0|2,0,0]=4 494 B7R1.19 NC1(C(=O)O)CC1 A7850 [1,0,0,1,0,0|1,0,0]=3 495 B7R1.19 O=C(O)C1(Br)CC1 B40170 [1,0,0,1,0,0|1,0,0]=3 496 B7R1.19 O=C(O)C1(F)CC1 F32122 [1,0,0,1,0,0|1,0,0]=3 497 B7R1.19 O=C(O)C1(O)CC1 H13746 [1,0,0,1,0,0|1,0,0]=3 498 B7R1.14 CC1(O)CCCC1 M41551 [1,0,0,1,0,0|1,0,1]=4 499 B7R1.20 O=C(O)CC1CC1 C11216 [1,0,0,1,0,0|0,0,0]=2 500 B9R1.7 CCC[C@H]1COC(=O)C1 P43806 [0,0,0,1,0,1|0,0,0]=2 501 B9R1.7 O=S1OCC(CCCl)O1 C65668 [0,0,0,1,0,1|2,0,0]=4 502 B9R1.13 CC(=O)N[C@@H]1CCNC1 A14336 [0,0,0,1,0,1|2,0,0]=4 503 B9R1.13 CC(=O)N[C@H]1CCNC1 A14335 [0,0,0,1,0,1|2,0,0]=4 504 B9R1.13 CC(=O)N[C@H]1CCNC1 P63075 [0,0,0,1,0,1|2,0,0]=4 505 B9R1.13 O=C(Cl)OC1CCCC1 C43402 [0,0,0,1,0,1|1,0,0]=3 506 B9R1.13 O=C(O)CC1CCCC1 C16642 [0,0,0,1,0,1|0,0,0]=2 507 B9R1.13 O=C(O)CN1CCCC1 P41503 [0,0,0,1,0,1|1,0,0]=3 508 B9R1.13 O=C(O)CN1CCCC1 P43441 [0,0,0,1,0,1|1,0,0]=3 509 B9R1.13 O=C(O)C[C@@H]1CCCN1 H14057 [0,0,0,1,0,1|1,0,0]=3 510 B9R1.13 O=C(O)C[C@@H]1CCCN1 P41505 [0,0,0,1,0,1|1,0,0]=3 511 B9R1.13 O=C(O)C[C@@H]1CCNC1 P14180 [0,0,0,1,0,1|1,0,0]=3 512 B9R1.13 O=C(O)C[C@H]1CCCN1 H14056 [0,0,0,1,0,1|1,0,0]=3 513 B9R1.13 O=C(O)C[C@H]1CCCN1 P43445 [0,0,0,1,0,1|1,0,0]=3 514 B9R1.13 O=C(O)C[C@H]1CCCN1 P69047 [0,0,0,1,0,1|1,0,0]=3 515 B9R1.13 O=C(O)C[C@H]1CCNC1 P10341 [0,0,0,1,0,1|1,0,0]=3 516 B9R1.13 O=C(O)C[C@H]1CCNC1 P14181 [0,0,0,1,0,1|1,0,0]=3 517 B9R1.13 O=C(O)C[C@H]1CCNC1 P43442 [0,0,0,1,0,1|1,0,0]=3 518 B9R1.13 O=C(O)C[C@H]1CCOC1 X19979 [0,0,0,1,0,1|1,0,0]=3 519 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 H29811 [0,0,0,1,0,1|2,0,0]=4 520 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 D19918 [0,0,0,1,0,1|2,0,0]=4 521 B9R1.41 CN1CCC[C@@H]1C(=O)O M24378 [0,0,0,1,0,1|1,0,0]=3 522 B9R1.41 CN1CCC[C@@H]1C(=O)O M29559 [0,0,0,1,0,1|1,0,0]=3 523 B9R1.41 CN1CCC[C@@H]1C(=O)O M43438 [0,0,0,1,0,1|1,0,0]=3 524 B9R1.41 CN1CCC[C@H]1C(=O)O M22169 [0,0,0,1,0,1|1,0,0]=3 525 B9R1.41 CN1CCC[C@H]1C(=O)O M24873 [0,0,0,1,0,1|1,0,0]=3 526 B9R1.41 CN1CCC[C@H]1C(=O)O M43447 [0,0,0,1,0,1|1,0,0]=3 527 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O A23278 [0,0,0,1,0,1|1,0,0]=3 528 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H13252 [0,0,0,1,0,1|2,0,0]=4 529 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H23787 [0,0,0,1,0,1|2,0,0]=4 530 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H27028 [0,0,0,1,0,1|2,0,0]=4 531 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H27029 [0,0,0,1,0,1|2,0,0]=4 532 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O H13665 [0,0,0,1,0,1|2,0,0]=4 533 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O H27030 [0,0,0,1,0,1|2,0,0]=4 534 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O H14383 [0,0,0,1,0,1|2,0,0]=4 535 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O H27031 [0,0,0,1,0,1|2,0,0]=4 536 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O H13249 [0,0,0,1,0,1|2,0,0]=4 537 B9R1.48 C[C@H]1CC(=O)NCCN1 H7872 [0,0,0,1,0,1|2,0,0]=4 538 B9R1.52 CC1CN(C)[C@@H]1C(=O)O A30111 [0,0,0,1,0,1|1,0,0]=3 539 B9R1.53 CC(=O)NC1CC(N)C1 A30123 [0,0,0,1,0,1|2,0,0]=4 540 B9R1.53 CC(=O)NC1CC(N)C1 N14377 [0,0,0,1,0,1|2,0,0]=4 541 B9R1.53 NC1CC(CC(=O)O)C1 A11674 [0,0,0,1,0,1|1,0,0]=3 542 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 A11675 [0,0,0,1,0,1|1,0,0]=3 543 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 A14838 [0,0,0,1,0,1|1,0,0]=3 544 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 A11676 [0,0,0,1,0,1|1,0,0]=3 545 B9R1.3 CC1C(=O)CCCC1=O M69234 [0,1,0,1,0,0|1,0,1]=4 546 B9R1.3 CC1CCCC(O)C1C D47156 [0,1,0,1,0,0|1,0,1]=4 547 B9R1.3 CN1CCC[C@H](N)C1=O A11570 [0,1,0,1,0,0|2,0,0]=4 548 B9R1.3 CN1CCC[C@H](N)C1=O A14658 [0,1,0,1,0,0|2,0,0]=4 549 B9R1.3 CN1CCC[C@H](N)C1=O A43470 [0,1,0,1,0,0|2,0,0]=4 550 B9R1.55 CN1C[C@@H](C(=O)O)C1=O M60220 [0,1,0,1,0,0|1,0,1]=4 551 B9R1.96 CCC1CN[C@@H]1C(=O)O A30119 [0,1,0,1,0,0|0,0,0]=2 552 B9R1.96 CCN1CC[C@H]1C(=O)O E29784 [0,1,0,1,0,0|1,0,0]=3 553 B9R1.101 COC(=O)[C@@H](N)C1CC1 M43446 [0,1,0,1,0,0|1,0,0]=3 554 B9R1.101 COC(=O)[C@@H](N)C1CC1 M43448 [0,1,0,1,0,0|1,0,0]=3 555 B9R1.110 CC(=O)N(C)C1CNC1 A1327 [0,1,0,1,0,0|2,0,0]=4 556 B9R1.110 CC(C(=O)O)C1CCO1 X59781 [0,1,0,1,0,0|0,0,0]=2 557 B9R1.110 N[C@@H](C(=O)O)C1CCC1 A12996 [0,1,0,1,0,0|1,0,0]=3 558 B9R1.110 N[C@@H](C(=O)O)C1COC1 A8466 [0,1,0,1,0,0|1,0,0]=3 559 B9R1.110 N[C@H](C(=O)O)C1CCC1 A10555 [0,1,0,1,0,0|1,0,0]=3 560 B9R1.110 N[C@H](C(=O)O)C1CCC1 A12995 [0,1,0,1,0,0|1,0,0]=3 561 B9R1.110 N[C@H](C(=O)O)C1COC1 A8464 [0,1,0,1,0,0|1,0,0]=3 562 B9R1.110 N[C@H](C(=O)O)C1COC1 A8465 [0,1,0,1,0,0|1,0,0]=3 563 B9R1.111 CC1([C@H](N)C(=O)O)CC1 A11157 [0,1,0,1,0,0|1,0,0]=3 564 B9R1.111 CC1([C@H](N)C(=O)O)CC1 A30010 [0,1,0,1,0,0|1,0,0]=3 565 B9R1.111 N[C@H](C(=O)O)C1(O)CC1 A62784 [0,1,0,1,0,0|1,0,0]=3 566 B9R1.5 CN1CCCCCC1=O M39292 [0,1,0,1,0,0|2,0,0]=4 567 B9R1.5 CN1CCCNCC1=O M1178 [0,1,0,1,0,0|2,0,0]=4 568 B9R1.5 CN1CCNCCC1=O M41536 [0,1,0,1,0,0|2,0,0]=4 569 B9R1.5 CN1CCNCCC1=O M43468 [0,1,0,1,0,0|2,0,0]=4 570 B9R1.5 N[C@@H]1CCCCNC1=O A43466 [0,1,0,1,0,0|2,0,0]=4 571 B9R1.5 N[C@H]1CCCCNC1=O A24830 [0,1,0,1,0,0|2,0,0]=4 572 B9R1.5 N[C@H]1CCCCNC1=O A43463 [0,1,0,1,0,0|2,0,0]=4 573 B9R1.11 CNC(=O)[C@@H]1CCCN1 M43471 [0,1,0,1,0,0|2,0,0]=4 574 B9R1.11 COC(=O)C1=CCCC1 M43720 [0,1,0,1,0,0|0,0,2]=4 575 B9R1.11 COC(=O)C1CC=CC1 M13554 [0,1,0,1,0,0|0,0,2]=4 576 B9R1.11 COC(=O)C1CCCC1 M43805 [0,1,0,1,0,0|0,0,0]=2 577 B9R1.11 COC(=O)[C@@H]1CCCN1 M38491 [0,1,0,1,0,0|1,0,0]=3 578 B9R1.11 COC(=O)[C@@H]1CCNC1 M20211 [0,1,0,1,0,0|1,0,0]=3 579 B9R1.11 COC(=O)[C@@H]1CCNC1 M25987 [0,1,0,1,0,0|1,0,0]=3 580 B9R1.11 COC(=O)[C@@H]1CCOC1 M10323 [0,1,0,1,0,0|1,0,0]=3 581 B9R1.11 COC(=O)[C@H]1CCNC1 E6960 [0,1,0,1,0,0|1,0,0]=3 582 B9R1.11 COC(=O)[C@H]1CCNC1 M10274 [0,1,0,1,0,0|1,0,0]=3 583 B9R1.11 COC(=O)[C@H]1CCNC1 M20204 [0,1,0,1,0,0|1,0,0]=3 584 B9R1.11 COC(=O)[C@H]1CCNC1 P12312 [0,1,0,1,0,0|1,0,0]=3 585 B9R1.11 COC(=O)[C@H]1CCOC1 M12450 [0,1,0,1,0,0|1,0,0]=3 586 B9R1.11 COC(=O)[C@H]1CCOC1 M7564 [0,1,0,1,0,0|1,0,0]=3 587 B9R1.11 NNC(=O)[C@H]1CCOC1 T15050 [0,1,0,1,0,0|2,0,0]=4 588 B9R1.15 CO[C@H]1COCCC1=O M10506 [0,1,0,1,0,0|2,0,0]=4 589 B9R1.33 NCCN1CCOC1=O A61391 [0,1,0,1,0,0|2,0,0]=4 590 B9R1.69 CN1CC[C@H](N)CC1=O A0206 [0,1,0,1,0,0|2,0,0]=4 591 B9R1.69 CN1CC[C@H](N)CC1=O M7462 [0,1,0,1,0,0|2,0,0]=4 592 B9R1.69 CN1C[C@@H](N)CCC1=O A0588 [0,1,0,1,0,0|2,0,0]=4 593 B9R1.69 CN1C[C@@H](N)CCC1=O A12740 [0,1,0,1,0,0|2,0,0]=4 594 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 D13688 [0,1,0,1,0,0|2,0,0]=4 595 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 D43469 [0,1,0,1,0,0|2,0,0]=4 596 B9R1.69 C[C@H]1CCC(=O)NC1=O M43382 [0,1,0,1,0,0|1,0,1]=4 597 B9R1.69 C[C@H]1CN(C)C(=O)CN1 D13682 [0,1,0,1,0,0|2,0,0]=4 598 B9R1.69 C[C@H]1CN(C)C(=O)CN1 D30098 [0,1,0,1,0,0|2,0,0]=4 599 B9R1.69 C[C@H]1CN(C)CCC1=O D23777 [0,1,0,1,0,0|2,0,0]=4 600 B9R1.82 C=C1CC(C(=O)OC)C1 M12361 [0,1,0,1,0,0|0,0,2]=4 601 B9R1.82 COC(=O)C1CC(=O)C1 M0192 [0,1,0,1,0,0|1,0,1]=4 602 B9R1.82 COC(=O)C1CC(Br)C1 M10924 [0,1,0,1,0,0|1,0,0]=3 603 B9R1.82 COC(=O)C1CC(Cl)C1 M11851 [0,1,0,1,0,0|1,0,0]=3 604 B9R1.82 COC(=O)C1CC(N)C1 M13744 [0,1,0,1,0,0|1,0,0]=3 605 B9R1.82 COC(=O)C1CC(O)C1 M0318 [0,1,0,1,0,0|1,0,0]=3 606 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 SB7472 [0,1,0,1,0,0|1,0,0]=3 607 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 M11400 [0,1,0,1,0,0|1,0,0]=3 608 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 M10932 [0,1,0,1,0,0|1,0,0]=3 609 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 M1703 [0,1,0,1,0,0|1,0,0]=3 610 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 SB7980 [0,1,0,1,0,0|1,0,0]=3 611 B9R1.88 COC(=O)C1CC1CN M27272 [0,1,0,1,0,0|1,0,0]=3 612 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO M59717 [0,1,0,1,0,0|1,0,0]=3 613 B9R1.186 COC(=O)C1(Br)CCC1 M43401 [0,1,0,1,0,0|1,0,0]=3 614 B9R1.186 COC(=O)C1(C)CNC1 M11573 [0,1,0,1,0,0|1,0,0]=3 615 B9R1.186 COC(=O)C1(C)COC1 M41474 [0,1,0,1,0,0|1,0,0]=3 616 B9R1.186 COC(=O)C1(F)CNC1 M11572 [0,1,0,1,0,0|2,0,0]=4 617 B9R1.186 COC(=O)C1(N)CCC1 M39051 [0,1,0,1,0,0|1,0,0]=3 618 B9R1.186 COC(=O)C1(N)COC1 M7161 [0,1,0,1,0,0|2,0,0]=4 619 B9R1.186 COC(=O)[C@]1(C)CCN1 M22961 [0,1,0,1,0,0|1,0,0]=3 620 B9R1.6 CC(=O)C1CCCCC1 C25535 [0,1,0,1,0,0|1,0,0]=3 621 B9R1.6 CC(=O)C1CCNCC1 P69462 [0,1,0,1,0,0|1,0,0]=3 622 B9R1.6 CC(=O)C1CCOCC1 T11195 [0,1,0,1,0,0|1,0,0]=3 623 B9R1.6 CC(=O)N1CCNCC1 A67843 [0,1,0,1,0,0|2,0,0]=4 624 B9R1.6 N=C(N)C1CCOCC1 T7867 [0,1,0,1,0,0|2,0,0]=4 625 B9R1.6 NC(=O)C1CCNCC1 P10277 [0,1,0,1,0,0|1,0,0]=3 626 B9R1.6 NC(=O)C1CCNCC1 P43467 [0,1,0,1,0,0|1,0,0]=3 627 B9R1.6 NC(=O)[C@@H]1CCCNC1 P12324 [0,1,0,1,0,0|1,0,0]=3 628 B9R1.6 NC(=O)[C@@H]1CCCNC1 P7512 [0,1,0,1,0,0|1,0,0]=3 629 B9R1.6 NC(=O)[C@H]1CCCNC1 P12323 [0,1,0,1,0,0|1,0,0]=3 630 B9R1.6 NC(=O)[C@H]1CCCNC1 P7513 [0,1,0,1,0,0|1,0,0]=3 631 B9R1.6 O=C(Cl)C1CCOCC1 T3932 [0,1,0,1,0,0|1,0,0]=3 632 B9R1.6 O=C(O)C1=CCCCO1 D43311 [0,1,0,1,0,0|0,0,2]=4 633 B9R1.6 O=C(O)C1=COCCC1 D23573 [0,1,0,1,0,0|0,0,2]=4 634 B9R1.6 O=C(O)C1CCCCC1 C64950 [0,1,0,1,0,0|0,0,0]=2 635 B9R1.6 O=C(O)C1CCNCC1 P23933 [0,1,0,1,0,0|0,0,0]=2 636 B9R1.6 O=C(O)C1CCNCC1 P24453 [0,1,0,1,0,0|0,0,0]=2 637 B9R1.6 O=C(O)C1CCOCC1 T0117 [0,1,0,1,0,0|0,0,0]=2 638 B9R1.6 O=C(O)C1CCSCC1 T13091 [0,1,0,1,0,0|0,0,0]=2 639 B9R1.6 O=C(O)N1CCCCC1 P62582 [0,1,0,1,0,0|1,0,0]=3 640 B9R1.6 O=C(O)[C@@H]1CC=CCC1 C11079 [0,1,0,1,0,0|0,0,1]=3 641 B9R1.6 O=C(O)[C@@H]1CC=CCC1 C68354 [0,1,0,1,0,0|0,0,1]=3 642 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43440 [0,1,0,1,0,0|0,0,0]=2 643 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43443 [0,1,0,1,0,0|0,0,0]=2 644 B9R1.6 O=C(O)[C@@H]1CCCCO1 T31331 [0,1,0,1,0,0|0,0,0]=2 645 B9R1.6 O=C(O)[C@@H]1CCCNC1 P12310 [0,1,0,1,0,0|0,0,0]=2 646 B9R1.6 O=C(O)[C@@H]1CNCCN1 P10721 [0,1,0,1,0,0|1,0,0]=3 647 B9R1.6 O=C(O)[C@@H]1CNCCN1 P11877 [0,1,0,1,0,0|1,0,0]=3 648 B9R1.6 O=C(O)[C@@H]1CNCCN1 P13373 [0,1,0,1,0,0|1,0,0]=3 649 B9R1.6 O=C(O)[C@@H]1CNCCN1 P41382 [0,1,0,1,0,0|1,0,0]=3 650 B9R1.6 O=C(O)[C@@H]1CNCCO1 M41374 [0,1,0,1,0,0|1,0,0]=3 651 B9R1.6 O=C(O)[C@@H]1CNCCO1 M61070 [0,1,0,1,0,0|1,0,0]=3 652 B9R1.6 O=C(O)[C@@H]1COCCN1 M15337 [0,1,0,1,0,0|1,0,0]=3 653 B9R1.6 O=C(O)[C@@H]1COCCN1 M17082 [0,1,0,1,0,0|1,0,0]=3 654 B9R1.6 O=C(O)[C@@H]1COCCN1 M31616 [0,1,0,1,0,0|1,0,0]=3 655 B9R1.6 O=C(O)[C@@H]1COCCO1 D41234 [0,1,0,1,0,0|1,0,0]=3 656 B9R1.6 O=C(O)[C@H]1CC=CCC1 C11080 [0,1,0,1,0,0|0,0,1]=3 657 B9R1.6 O=C(O)[C@H]1CCCCN1 P28251 [0,1,0,1,0,0|0,0,0]=2 658 B9R1.6 O=C(O)[C@H]1CCCNC1 P12311 [0,1,0,1,0,0|0,0,0]=2 659 B9R1.6 O=C(O)[C@H]1CCCNC1 P43444 [0,1,0,1,0,0|0,0,0]=2 660 B9R1.6 O=C(O)[C@H]1CCCOC1 T0697 [0,1,0,1,0,0|0,0,0]=2 661 B9R1.6 O=C(O)[C@H]1CCCSC1 T1163 [0,1,0,1,0,0|0,0,0]=2 662 B9R1.6 O=C(O)[C@H]1CNCCN1 P10722 [0,1,0,1,0,0|1,0,0]=3 663 B9R1.6 O=C(O)[C@H]1CNCCN1 P11878 [0,1,0,1,0,0|1,0,0]=3 664 B9R1.6 O=C(O)[C@H]1CNCCO1 M18388 [0,1,0,1,0,0|1,0,0]=3 665 B9R1.6 O=C(O)[C@H]1CNCCO1 M63934 [0,1,0,1,0,0|1,0,0]=3 666 B9R1.6 O=C(O)[C@H]1COCCN1 M15338 [0,1,0,1,0,0|1,0,0]=3 667 B9R1.6 O=C(O)[C@H]1COCCN1 M41376 [0,1,0,1,0,0|1,0,0]=3 668 B9R1.6 O=C(O)[C@H]1COCCO1 D41233 [0,1,0,1,0,0|1,0,0]=3 669 B9R1.6 OB(O)C1CCCCC1 C2380 [0,1,0,1,0,0|1,0,1]=4 670 B9R1.6 OB(O)C1CCSCC1 T31828 [0,1,0,1,0,0|1,0,1]=4 671 B9R1.23 CN1C[C@@H](CN)CC1=O A10326 [0,1,0,1,0,0|2,0,0]=4 672 B9R1.35 CC(=O)N1CC[C@@H](O)C1 A7835 [0,1,0,1,0,0|2,0,0]=4 673 B9R1.35 CC(=O)N1CC[C@H](N)C1 A14633 [0,1,0,1,0,0|2,0,0]=4 674 B9R1.35 CC(=O)N1CC[C@H](O)C1 H41507 [0,1,0,1,0,0|2,0,0]=4 675 B9R1.35 CN1CC[C@@H](C(=O)O)C1 M14179 [0,1,0,1,0,0|0,0,0]=2 676 B9R1.35 CN1CC[C@@H](C(=O)O)C1 M27617 [0,1,0,1,0,0|0,0,0]=2 677 B9R1.35 CN1CC[C@H](C(=O)O)C1 M11319 [0,1,0,1,0,0|0,0,0]=2 678 B9R1.35 CN1CC[C@H](C(=O)O)C1 M23984 [0,1,0,1,0,0|0,0,0]=2 679 B9R1.35 CN1CC[C@H](C(=O)O)C1 M7624 [0,1,0,1,0,0|0,0,0]=2 680 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 M60259 [0,1,0,1,0,0|1,0,0]=3 681 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 M60278 [0,1,0,1,0,0|1,0,0]=3 682 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 F5735 [0,1,0,1,0,0|2,0,0]=4 683 B9R1.35 NC1CCC(C(=O)O)C1 A11845 [0,1,0,1,0,0|0,0,0]=2 684 B9R1.35 NC1CCC(C(=O)O)C1 A15670 [0,1,0,1,0,0|0,0,0]=2 685 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 A15249 [0,1,0,1,0,0|0,0,0]=2 686 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 A20649 [0,1,0,1,0,0|0,0,0]=2 687 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 A15248 [0,1,0,1,0,0|0,0,0]=2 688 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 A43449 [0,1,0,1,0,0|0,0,0]=2 689 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 A41383 [0,1,0,1,0,0|1,0,0]=3 690 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 A41384 [0,1,0,1,0,0|1,0,0]=3 691 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 A43384 [0,1,0,1,0,0|0,0,2]=4 692 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 A43553 [0,1,0,1,0,0|0,0,2]=4 693 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 A25040 [0,1,0,1,0,0|0,0,0]=2 694 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 A43450 [0,1,0,1,0,0|0,0,0]=2 695 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 A60941 [0,1,0,1,0,0|1,0,0]=3 696 B9R1.35 O=C(O)C1CCC(O)C1 H41473 [0,1,0,1,0,0|0,0,0]=2 697 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 F24489 [0,1,0,1,0,0|1,0,0]=3 698 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 F4406 [0,1,0,1,0,0|1,0,0]=3 699 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 H24020 [0,1,0,1,0,0|1,0,0]=3 700 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 H41377 [0,1,0,1,0,0|1,0,0]=3 701 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 S60350 [0,1,0,1,0,0|1,0,0]=3 702 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 F13520 [0,1,0,1,0,0|1,0,0]=3 703 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 F13680 [0,1,0,1,0,0|1,0,0]=3 704 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 H41378 [0,1,0,1,0,0|1,0,0]=3 705 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 M15630 [0,1,0,1,0,0|1,0,0]=3 706 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 F13522 [0,1,0,1,0,0|1,0,0]=3 707 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 F20223 [0,1,0,1,0,0|1,0,0]=3 708 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 H15420 [0,1,0,1,0,0|1,0,0]=3 709 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 H29938 [0,1,0,1,0,0|1,0,0]=3 710 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 F13521 [0,1,0,1,0,0|1,0,0]=3 711 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 F4408 [0,1,0,1,0,0|1,0,0]=3 712 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 H41373 [0,1,0,1,0,0|1,0,0]=3 713 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 X15326 [0,1,0,1,0,0|0,0,1]=3 714 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 X22343 [0,1,0,1,0,0|1,0,1]=4 715 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 X38776 [0,1,0,1,0,0|1,0,1]=4 716 B9R1.35 O=C1CC[C@@H](C(=O)O)S1 X10747 [0,1,0,1,0,0|1,0,1]=4 717 B9R1.35 O=C1CC[C@H](C(=O)O)C1 O7893 [0,1,0,1,0,0|0,0,1]=3 718 B9R1.35 O=C1CC[C@H](C(=O)O)C1 X15325 [0,1,0,1,0,0|0,0,1]=3 719 B9R1.35 O=C1CC[C@H](C(=O)O)O1 X37943 [0,1,0,1,0,0|1,0,1]=4 720 B9R1.35 O=C1CN[C@H](C(=O)O)C1 X30036 [0,1,0,1,0,0|1,0,1]=4 721 B9R1.35 O=C1C[C@H](C(=O)O)CN1 X13558 [0,1,0,1,0,0|1,0,1]=4 722 B9R1.40 CC1(C)CCCOC1=O D63281 [0,1,0,1,0,0|0,0,0]=2 723 B9R1.40 CC1(C)CNCCC1=O D11692 [0,1,0,1,0,0|2,0,0]=4 724 B9R1.40 CC1(C)COCCC1=O D24609 [0,1,0,1,0,0|2,0,0]=4 725 B9R1.40 CC1(C)NCCNC1=O D10774 [0,1,0,1,0,0|2,0,0]=4 726 B9R1.95 COC1CC(C(=O)O)C1 M11729 [0,1,0,1,0,0|0,0,0]=2 727 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 M11730 [0,1,0,1,0,0|0,0,0]=2 728 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 M11731 [0,1,0,1,0,0|0,0,0]=2 729 B9R1.95 NCC1CC(C(=O)O)C1 A15397 [0,1,0,1,0,0|0,0,0]=2 730 B9R1.95 NCC1CC(C(=O)O)C1 A30087 [0,1,0,1,0,0|0,0,0]=2 731 B9R1.95 O=C(O)C1CC(CO)C1 H11330 [0,1,0,1,0,0|0,0,0]=2 732 B9R1.112 N[C@@H](CC1CC1)C(=O)O A41508 [0,1,0,1,0,0|1,0,0]=3 733 B9R1.112 N[C@H](CC1CC1)C(=O)O C68587 [0,1,0,1,0,0|1,0,0]=3 734 B9R1.163 CC1(C(N)=O)CSSC1 M64141 [0,1,0,1,0,0|2,0,0]=4 735 B9R1.163 C[C@@]1(C(=O)O)CCCN1 M20146 [0,1,0,1,0,0|0,0,0]=2 736 B9R1.163 C[C@]1(C(=O)O)CCCN1 M17794 [0,1,0,1,0,0|0,0,0]=2 737 B9R1.163 C[C@]1(C(=O)O)CCCN1 M7933 [0,1,0,1,0,0|0,0,0]=2 738 B9R1.163 C[C@]1(C(=O)O)CCNC1 M62974 [0,1,0,1,0,0|0,0,0]=2 739 B9R1.163 C[C@]1(C(=O)O)CCOC1 M11773 [0,1,0,1,0,0|0,0,0]=2 740 B9R1.163 NC(=O)C1(N)CCCC1 A41537 [0,1,0,1,0,0|1,0,0]=3 741 B9R1.163 N[C@@]1(C(=O)O)CCNC1 A65489 [0,1,0,1,0,0|1,0,0]=3 742 B9R1.163 N[C@@]1(C(=O)O)CCOC1 A0696 [0,1,0,1,0,0|1,0,0]=3 743 B9R1.163 N[C@@]1(C(=O)O)CCOC1 A60223 [0,1,0,1,0,0|1,0,0]=3 744 B9R1.163 N[C@@]1(C(=O)O)CCOC1 A64109 [0,1,0,1,0,0|1,0,0]=3 745 B9R1.163 N[C@]1(C(=O)O)CCOC1 A60224 [0,1,0,1,0,0|1,0,0]=3 746 B9R1.163 O=C(O)C1(F)CCCC1 F38406 [0,1,0,1,0,0|0,0,0]=2 747 B9R1.163 O=C(O)C1(O)CCCC1 H41472 [0,1,0,1,0,0|0,0,0]=2 748 B9R1.163 O=C(O)[C@]1(F)CCNC1 F14431 [0,1,0,1,0,0|1,0,0]=3 749 B9R1.152 C=C1CC(C)(C(=O)O)C1 M15409 [0,1,0,1,0,0|0,0,1]=3 750 B9R1.152 CC1(C(=O)O)CC(=O)C1 M11657 [0,1,0,1,0,0|0,0,1]=3 751 B9R1.152 C[C@]1(C(=O)O)C[C@@H](N)C1 A14827 [0,1,0,1,0,0|0,0,0]=2 752 B9R1.152 C[C@]1(C(=O)O)C[C@@H](N)C1 A20733 [0,1,0,1,0,0|0,0,0]=2 753 B9R1.152 C[C@]1(C(=O)O)C[C@H](N)C1 SB7324 [0,1,0,1,0,0|0,0,0]=2 754 B9R1.152 NC1(C(=O)O)CC(F)C1 A13108 [0,1,0,1,0,0|1,0,0]=3 755 B9R1.152 N[C@]1(C(=O)O)C[C@@H](F)C1 A13111 [0,1,0,1,0,0|1,0,0]=3 756 B9R1.152 N[C@]1(C(=O)O)C[C@H](F)C1 A13110 [0,1,0,1,0,0|1,0,0]=3 757 B9R1.152 O=C(O)[C@]1(F)C[C@@H](O)C1 F59887 [0,1,0,1,0,0|1,0,0]=3 758 B9R1.152 O=C(O)[C@]1(F)C[C@H](O)C1 M59964 [0,1,0,1,0,0|1,0,0]=3 759 B9R1.152 O=C(O)[C@]1(O)C[C@@H](O)C1 D59963 [0,1,0,1,0,0|1,0,0]=3 760 B9R1.179 NCCC1(C(=O)O)CC1 A29654 [0,1,0,1,0,0|1,0,0]=3 761 B9R1.179 NCCC1(C(=O)O)CC1 A31056 [0,1,0,1,0,0|1,0,0]=3 762 B9R1.19 O=S(=O)(O)C1CCCC1 C29755 [0,1,0,1,0,0|1,0,0]=3 763 B9R1.119 CCC1(C(=O)O)COC1 E6215 [0,1,0,1,0,0|1,0,0]=3 764 B9R1.119 CCC1(C(C)=O)COC1 E8500 [0,1,0,1,0,0|2,0,0]=4 765 B9R1.119 CC[C@@]1(C(=O)O)CCO1 E60473 [0,1,0,1,0,0|1,0,0]=3 766 B9R1.119 COC1(C(=O)O)CNC1 M11827 [0,1,0,1,0,0|1,0,0]=3 767 B9R1.161 NC(=O)C1CC1C(=O)O C29921 [0,1,0,1,0,0|1,0,1]=4 768 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O C29917 [0,1,0,1,0,0|1,0,1]=4 769 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(F)F D60171 [0,1,0,1,0,0|1,0,0]=3 770 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O C29916 [0,1,0,1,0,0|1,0,1]=4 771 B9R1.164 CC(=O)C1CC(F)(F)C1 D20631 [0,1,0,1,0,0|2,0,0]=4 772 B9R1.164 CC1(C)C=C(C(=O)O)C1 D6362 [0,1,0,1,0,0|0,0,2]=4 773 B9R1.164 CC1(C)CC(C(=O)O)C1 D11728 [0,1,0,1,0,0|0,0,0]=2 774 B9R1.164 CC1(F)CC(C(=O)O)C1 C20596 [0,1,0,1,0,0|0,0,0]=2 775 B9R1.164 CC1(O)CC(C(=O)O)C1 H14479 [0,1,0,1,0,0|0,0,0]=2 776 B9R1.164 C[C@]1(F)C[C@@H](C(=O)O)C1 F60006 [0,1,0,1,0,0|0,0,0]=2 777 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 H11742 [0,1,0,1,0,0|0,0,0]=2 778 B9R1.164 C[C@]1(O)C[C@H](C(=O)[O-])C1 H31897 [0,1,0,1,0,0|0,0,1]=3 779 B9R1.164 O=C(O)C1CC(F)(F)C1 D6208 [0,1,0,1,0,0|1,0,0]=3 780 B9R1.164 O=C(O)C1CS(=O)(=O)C1 T37573 [0,1,0,1,0,0|2,0,0]=4 781 B9R2.19 O=C1NCC2CC1N2 X13999 [0,0,0,2,0,0|2,0,0]=4 782 B9R2.39 O=C1NC2CCC1C2 A64651 [0,0,0,2,0,0|1,0,0]=3 783 B9R2.39 O=C1OC2CCC1C2 X31814 [0,0,0,2,0,0|0,0,0]=2 784 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 X43582 [0,0,0,2,0,0|1,0,0]=3 785 B9R2.39 O[C@@H]1C[C@H]2CC[C@@H]1C2 B62162 [0,0,0,2,0,0|1,0,1]=4 786 B9R2.53 O=C1C2CNCC1C2 A20053 [0,0,0,2,0,0|2,0,0]=4 787 B9R2.109 O=C1CCCC2CC12 B13672 [0,0,0,2,0,0|1,0,0]=3 788 B9R2.109 O=C1CCCC2OC12 X43306 [0,0,0,2,0,0|2,0,0]=4 789 B9R2.25 O=C1OC(=O)C2CC12 X24282 [0,0,0,2,0,0|1,0,1]=4 790 B9R2.145 O=C(O)C12CC(C1)C2 B22451 [0,0,0,2,0,0|0,0,0]=2 791 B9R2.143 O=C(O)[C@H]1CC12CC2 S21785 [0,0,0,2,0,0|0,0,0]=2