0 B7R0.10 C=C(CBr)C(=O)OC M36843 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.10 C=C(CO)C(=O)OC M7022 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.10 CCC(=O)C(=O)CC H41459 [0,0,0,0,0,0|0,0,0]=0 3 B7R0.10 CCC(=O)N(C)OC M40411 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.10 CC[C@@H](N)C(=O)OC M61982 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.10 CC[C@H](Br)C(=O)OC M68973 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.10 CC[C@H](N)C(=O)OC M40408 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.10 CC[C@H](N)C(=O)OC M41330 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.10 CC[C@H](N)C(=O)OC M41334 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.10 CN[C@@H](C)C(=O)OC M62351 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.10 COC(=O)C(=O)CBr M2726 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.10 COC(=O)[C@@H](Br)CO M40234 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.10 COC(=O)[C@@H](C)CBr M41268 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.10 COC(=O)[C@@H](C)CO M25480 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.10 COC(=O)[C@@H](Cl)CCl M69066 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.10 COC(=O)[C@@H](F)CO M60918 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.10 COC(=O)[C@@H](N)CO M68693 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.10 COC(=O)[C@@H](N)CO S64541 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.10 COC(=O)[C@@H](O)CN M61501 [0,0,0,0,0,0|2,0,2]=4 19 B7R0.10 COC(=O)[C@@H](O)CO M40259 [0,0,0,0,0,0|2,0,2]=4 20 B7R0.10 COC(=O)[C@H](C)CO M40393 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.10 COC(=O)[C@H](N)CCl M69012 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.10 COC(=O)[C@H](N)CS M69349 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.10 COC(=O)[C@H](O)CO M40258 [0,0,0,0,0,0|2,0,2]=4 24 B7R0.10 CON(C)C(=O)CCl C40248 [0,0,0,0,0,0|4,0,0]=4 25 B6R0.1 CC#CC(=O)OC M62298 [1,0,0,0,0,0|1,0,2]=4 26 B6R0.1 CC=CC(=O)CC H41457 [1,0,0,0,0,0|0,0,1]=2 27 B6R0.1 CCC[C@@H](Cl)CC C63946 [1,0,0,0,0,0|1,0,2]=4 28 B6R0.1 CCOC(=O)C#N E15572 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.1 CCOC(=O)CN G69291 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.1 CCOC(=O)CO E37817 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.1 CCOC(=O)NN E39139 [1,0,0,0,0,0|3,0,0]=4 32 B6R0.1 CCOC(=O)OC E40254 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.1 CNC(=O)CCN A40306 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.1 COC(=O)CCBr M39155 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.1 COC(=O)CCN M67902 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.1 COC(=O)CCO M24551 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.1 COC(=O)OCCl C62332 [1,0,0,0,0,0|3,0,0]=4 38 B6R0.1 COC(=O)\C=C/Br B3417 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.1 COC(=O)\C=C/I I2748 [1,0,0,0,0,0|2,0,1]=4 40 B6R0.1 COC(=O)\C=C\I M40173 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.3 C=C(Br)C(=O)OC M40168 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.3 C=C(CBr)C(=O)O B40169 [1,0,0,0,0,0|3,0,0]=4 43 B6R0.3 C=C(F)C(=O)OC M40171 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.3 CCC(=O)C(=O)[O-] S40297 [1,0,0,0,0,0|1,0,0]=2 45 B6R0.3 CCC(=O)N(C)C D67412 [1,0,0,0,0,0|2,0,0]=3 46 B6R0.3 CCN(C)C(=O)Cl E40250 [1,0,0,0,0,0|3,0,0]=4 47 B6R0.3 CCN(C)C(C)=O E40404 [1,0,0,0,0,0|2,0,0]=3 48 B6R0.3 CC[C@@H](C)C(=O)O M40381 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.3 CC[C@@H](N)C(N)=O A40305 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.3 CC[C@H](N)C(=O)O A40349 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.3 CC[C@H](N)C(=O)O A68376 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.3 CC[C@H](N)C(N)=O A64477 [1,0,0,0,0,0|2,0,1]=4 53 B6R0.3 CC[C@H](O)C(=O)O H23105 [1,0,0,0,0,0|1,0,2]=4 54 B6R0.3 CN(C)C(=O)CBr B40249 [1,0,0,0,0,0|3,0,0]=4 55 B6R0.3 CN(C)C(=O)CN A39947 [1,0,0,0,0,0|3,0,0]=4 56 B6R0.3 CN(C)C(=O)CN A40307 [1,0,0,0,0,0|3,0,0]=4 57 B6R0.3 CN(C)C(=O)CN A61441 [1,0,0,0,0,0|3,0,0]=4 58 B6R0.3 CN(C)C(=O)CO H40267 [1,0,0,0,0,0|3,0,0]=4 59 B6R0.3 CNC(=O)[C@H](C)N A40308 [1,0,0,0,0,0|2,0,1]=4 60 B6R0.3 COC(=O)[C@@H](C)O M68913 [1,0,0,0,0,0|1,0,2]=4 61 B6R0.3 COC(=O)[C@H](C)Cl M68359 [1,0,0,0,0,0|2,0,1]=4 62 B6R0.3 COC(=O)[C@H](C)N A68085 [1,0,0,0,0,0|2,0,1]=4 63 B6R0.3 COC(=O)[C@H](C)N M68343 [1,0,0,0,0,0|2,0,1]=4 64 B6R0.3 COC(=O)[C@H](C)O M69777 [1,0,0,0,0,0|1,0,2]=4 65 B6R0.3 CON(C)C(C)=O M3307 [1,0,0,0,0,0|3,0,0]=4 66 B8R0.2 COC(=O)C(=O)[C@H](C)Br B6543 [0,1,0,0,0,0|1,0,0]=2 67 B8R0.2 COC(=O)C(N)C(C)O M41339 [0,1,0,0,0,0|2,0,1]=4 68 B8R0.2 COC(=O)[C@@H](N)C(C)C M68320 [0,1,0,0,0,0|2,0,1]=4 69 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O T41338 [0,1,0,0,0,0|2,0,1]=4 70 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O M41341 [0,1,0,0,0,0|2,0,1]=4 71 B8R0.2 COC(=O)[C@H](N)C(C)C M60727 [0,1,0,0,0,0|2,0,1]=4 72 B8R0.2 CON(C)C(=O)C(C)C M16724 [0,1,0,0,0,0|3,0,0]=4 73 B8R0.3 C=C(CBr)C(=O)OCC E43400 [0,1,0,0,0,0|2,0,0]=3 74 B8R0.3 C=C(CO)C(=O)OCC E41470 [0,1,0,0,0,0|2,0,0]=3 75 B8R0.3 CCC[C@@H](N)C(=O)OC M66692 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.3 CCC[C@H](N)C(=O)OC M43489 [0,1,0,0,0,0|2,0,1]=4 77 B8R0.3 CCN[C@@H](C)C(=O)OC M32327 [0,1,0,0,0,0|2,0,1]=4 78 B8R0.3 CCOC(=O)C(=O)CBr E15776 [0,1,0,0,0,0|1,0,0]=2 79 B8R0.3 CCOC(=O)C(=O)CBr E2491 [0,1,0,0,0,0|1,0,0]=2 80 B8R0.3 CCOC(=O)C(=O)CC E67705 [0,1,0,0,0,0|0,0,0]=1 81 B8R0.3 CCOC(=O)C(=O)NN E36826 [0,1,0,0,0,0|2,0,0]=3 82 B8R0.3 CCOC(=O)C(N)=NO E40243 [0,1,0,0,0,0|3,0,0]=4 83 B8R0.3 CCOC(=O)[C@@H](Br)CBr E39185 [0,1,0,0,0,0|2,0,1]=4 84 B8R0.3 CCOC(=O)[C@@H](C)CC E43888 [0,1,0,0,0,0|1,0,1]=3 85 B8R0.3 CCOC(=O)[C@@H](N)CC E43491 [0,1,0,0,0,0|1,0,1]=3 86 B8R0.3 CCOC(=O)[C@@H](N)CO E69027 [0,1,0,0,0,0|2,0,1]=4 87 B8R0.3 CCOC(=O)[C@@H](N)CO S41337 [0,1,0,0,0,0|2,0,1]=4 88 B8R0.3 CCOC(=O)[C@@H](N)CS C64730 [0,1,0,0,0,0|2,0,1]=4 89 B8R0.3 CCOC(=O)[C@H](N)CO E69611 [0,1,0,0,0,0|2,0,1]=4 90 B8R0.3 CCOC(=O)\C(Cl)=N\O E2979 [0,1,0,0,0,0|3,0,0]=4 91 B8R0.3 COC[C@@H](N)C(=O)OC M38225 [0,1,0,0,0,0|2,0,1]=4 92 B8R1.5 CN1CCNCC1=O M12652 [0,0,0,1,0,0|3,0,0]=4 93 B8R1.5 CN1CCNCC1=O M4395 [0,0,0,1,0,0|3,0,0]=4 94 B8R1.5 C[C@H]1CCCCC1=O M68370 [0,0,0,1,0,0|1,0,1]=3 95 B8R1.5 C[C@H]1CCCNC1=O P23372 [0,0,0,1,0,0|2,0,1]=4 96 B8R1.5 C[C@H]1CCNCC1=O M14887 [0,0,0,1,0,0|2,0,1]=4 97 B8R1.5 C[C@H]1CNCCC1=O M14880 [0,0,0,1,0,0|2,0,1]=4 98 B8R1.5 C[C@H]1CNCCC1=O M41497 [0,0,0,1,0,0|2,0,1]=4 99 B8R1.5 C[C@H]1COCCC1=O M11408 [0,0,0,1,0,0|2,0,1]=4 100 B8R1.5 NN1CCCCC1=O A41312 [0,0,0,1,0,0|2,0,0]=3 101 B8R1.5 N[C@@H]1CCCNC1=O A41314 [0,0,0,1,0,0|2,0,1]=4 102 B8R1.5 N[C@H]1CCCCC1=O A63504 [0,0,0,1,0,0|1,0,1]=3 103 B8R1.5 N[C@H]1CCCNC1=O A38933 [0,0,0,1,0,0|2,0,1]=4 104 B8R1.5 N[C@H]1CCCNC1=O A41313 [0,0,0,1,0,0|2,0,1]=4 105 B8R1.5 N[C@H]1CCCNC1=O A64847 [0,0,0,1,0,0|2,0,1]=4 106 B8R1.5 O=C1CCCC=C1Br B3408 [0,0,0,1,0,0|1,0,1]=3 107 B8R1.5 O=C1CCCCC1=O C67839 [0,0,0,1,0,0|0,0,0]=1 108 B8R1.5 O=C1CCNC[C@@H]1F F11694 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.5 O=C1CCNC[C@@H]1F F13759 [0,0,0,1,0,0|2,0,1]=4 110 B8R1.5 O=C1CCOC[C@@H]1Br B7711 [0,0,0,1,0,0|2,0,1]=4 111 B8R1.5 O=C1CCOC[C@@H]1F F5739 [0,0,0,1,0,0|2,0,1]=4 112 B8R1.5 O=C1NCCC[C@@H]1Br B41219 [0,0,0,1,0,0|2,0,1]=4 113 B8R1.5 O=C1NCCC[C@@H]1O H36756 [0,0,0,1,0,0|1,0,2]=4 114 B8R1.11 CC[C@H]1CCCC1=O E43799 [0,0,0,1,0,0|1,0,1]=3 115 B8R1.11 O=C1CCC[C@@H]1CO H41464 [0,0,0,1,0,0|2,0,1]=4 116 B8R1.38 COC(=O)[C@@H]1CCN1 M11233 [0,0,0,1,0,0|2,0,1]=4 117 B8R1.38 COC(=O)[C@@H]1CCN1 M11611 [0,0,0,1,0,0|2,0,1]=4 118 B8R1.38 COC(=O)[C@H]1CCN1 M11612 [0,0,0,1,0,0|2,0,1]=4 119 B8R1.39 COC(=O)C1(Br)CC1 M38537 [0,0,0,1,0,0|2,0,1]=4 120 B8R1.39 COC(=O)C1(N)CC1 M13766 [0,0,0,1,0,0|2,0,1]=4 121 B8R1.39 COC(=O)C1(N)CC1 M25083 [0,0,0,1,0,0|2,0,1]=4 122 B8R1.39 COC(=O)C1(O)CC1 M23123 [0,0,0,1,0,0|1,0,2]=4 123 B8R0.19 CCC(=O)CC(=O)CC H43801 [0,0,0,0,0,1|0,0,0]=1 124 B8R0.19 CCC(=O)CC(=O)OC M39036 [0,0,0,0,0,1|1,0,0]=2 125 B8R0.19 CC[C@H](N)CC(=O)OC M43495 [0,0,0,0,0,1|2,0,1]=4 126 B8R0.19 CNC(C)=CC(=O)OC M41506 [0,0,0,0,0,1|3,0,0]=4 127 B8R0.19 COC(=O)CC(=O)CCl M61620 [0,0,0,0,0,1|2,0,0]=3 128 B8R0.19 COC(=O)CC(=O)OC D60836 [0,0,0,0,0,1|2,0,0]=3 129 B8R0.19 COC(=O)\C=C(/C)OC M5601 [0,0,0,0,0,1|3,0,0]=4 130 B5R0.1 C=C(C)OCC E5573 [2,0,0,0,0,0|2,0,0]=4 131 B5R0.1 CC(=O)CCCl C69539 [2,0,0,0,0,0|1,0,1]=4 132 B5R0.1 CCOC(C)=N E68065 [2,0,0,0,0,0|2,0,0]=4 133 B5R0.2 BrC\C=C\CBr D60806 [2,0,0,0,0,0|2,0,0]=4 134 B5R0.2 NC\C=C/CCl C65470 [2,0,0,0,0,0|2,0,0]=4 135 B5R0.2 NC\C=C/CN B69714 [2,0,0,0,0,0|2,0,0]=4 136 B5R0.2 OC\C=C\CO B64254 [2,0,0,0,0,0|2,0,0]=4 137 B5R0.3 C=CC(=O)NC M37664 [2,0,0,0,0,0|1,0,1]=4 138 B5R0.3 CCC(=O)CN A32390 [2,0,0,0,0,0|1,0,0]=3 139 B5R0.3 CCC(=O)CO H36713 [2,0,0,0,0,0|1,0,0]=3 140 B5R0.3 CCC(N)CC P40440 [2,0,0,0,0,0|1,0,1]=4 141 B5R0.3 CNC(=O)CBr B60913 [2,0,0,0,0,0|2,0,0]=4 142 B5R0.3 CNC(=O)CCl C67921 [2,0,0,0,0,0|2,0,0]=4 143 B5R0.3 COC(=O)CN M69126 [2,0,0,0,0,0|2,0,0]=4 144 B5R0.3 COC(=O)CO M67586 [2,0,0,0,0,0|2,0,0]=4 145 B5R0.3 O=C(CCl)CCl D4849 [2,0,0,0,0,0|2,0,0]=4 146 B5R0.5 CC(=O)C(=O)[O-] C43424 [2,0,0,0,0,0|1,0,0]=3 147 B5R0.5 O=C(O)C(=O)O A69569 [2,0,0,0,0,0|2,0,0]=4 148 B5R0.5 O=C(O)C(=O)O E39942 [2,0,0,0,0,0|2,0,0]=4 149 B7R0.2 CC(C)NC(=O)CCl P40378 [1,1,0,0,0,0|2,0,0]=4 150 B7R0.2 CC(C)OC(=O)CO I38145 [1,1,0,0,0,0|2,0,0]=4 151 B7R0.2 CCC(=O)CC(C)=O H69646 [1,1,0,0,0,0|0,0,2]=4 152 B7R0.2 CCC(=O)OC(C)=O A41227 [1,1,0,0,0,0|1,0,1]=4 153 B7R0.2 COC(=O)C=C(C)C M41461 [1,1,0,0,0,0|1,0,1]=4 154 B7R0.2 COC(=O)C[C@@H](C)N M41333 [1,1,0,0,0,0|1,0,1]=4 155 B7R0.2 COC(=O)C[C@@H](C)O M68364 [1,1,0,0,0,0|1,0,1]=4 156 B7R0.2 COC(=O)C[C@H](C)O M37970 [1,1,0,0,0,0|1,0,1]=4 157 B7R0.2 COC(=O)\C=C(\C)N M68908 [1,1,0,0,0,0|1,0,1]=4 158 B7R0.3 CCCOC(=O)OC M40388 [1,1,0,0,0,0|1,0,1]=4 159 B7R0.3 CNCCC(=O)OC M40412 [1,1,0,0,0,0|1,0,1]=4 160 B7R0.3 COC(=O)C=CCBr M37461 [1,1,0,0,0,0|1,0,1]=4 161 B7R0.3 COC(=O)CCCBr M39189 [1,1,0,0,0,0|1,0,1]=4 162 B7R0.3 COC(=O)CCCCl M60517 [1,1,0,0,0,0|1,0,1]=4 163 B7R0.3 COC(=O)CCCN M32376 [1,1,0,0,0,0|1,0,1]=4 164 B7R0.3 COC(=O)\C=C\CBr M41176 [1,1,0,0,0,0|1,0,1]=4 165 B7R0.3 COC=CC(=O)OC M39186 [1,1,0,0,0,0|1,0,1]=4 166 B7R0.3 CO\C=C\C(=O)OC M41228 [1,1,0,0,0,0|1,0,1]=4 167 B7R0.5 CC(C)C(=O)OCCl C24559 [1,1,0,0,0,0|2,0,0]=4 168 B7R0.5 CCOC(=O)C(C)=O E60800 [1,1,0,0,0,0|1,0,1]=4 169 B7R0.5 CCOC(=O)[C@@H](C)N A39194 [1,1,0,0,0,0|1,0,0]=3 170 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [1,1,0,0,0,0|1,0,0]=3 171 B7R0.5 CCOC(=O)[C@H](C)F E41270 [1,1,0,0,0,0|1,0,0]=3 172 B7R0.5 CCOC(=O)[C@H](C)S E40385 [1,1,0,0,0,0|1,0,0]=3 173 B7R0.7 CC#CC(=O)OCC E36835 [1,1,0,0,0,0|0,0,2]=4 174 B7R0.7 CCNC(=O)NCC D40424 [1,1,0,0,0,0|1,0,0]=3 175 B7R0.7 CCOC(=O)CCBr E39188 [1,1,0,0,0,0|1,0,0]=3 176 B7R0.7 CCOC(=O)CCI E41273 [1,1,0,0,0,0|1,0,0]=3 177 B7R0.7 CCOC(=O)CCO E36682 [1,1,0,0,0,0|1,0,0]=3 178 B7R0.7 CCOC(=O)CNC S69399 [1,1,0,0,0,0|1,0,0]=3 179 B7R0.7 CCOC(=O)CNN E67459 [1,1,0,0,0,0|2,0,0]=4 180 B7R0.7 CCOC(=O)CSC E40386 [1,1,0,0,0,0|1,0,0]=3 181 B7R0.7 CCOC(=O)OCCl C38646 [1,1,0,0,0,0|2,0,0]=4 182 B7R0.7 CCOC(=O)\C=C\I E41181 [1,1,0,0,0,0|1,0,1]=4 183 B7R0.7 COCC(=O)COC D40391 [1,1,0,0,0,0|1,0,1]=4 184 B7R0.7 O=C(CCCl)CCCl D67616 [1,1,0,0,0,0|1,0,1]=4 185 B7R0.16 CC(C)C(=O)C(=O)[O-] S41304 [1,1,0,0,0,0|1,0,0]=3 186 B7R0.16 O=C(O)C(=O)C(Br)Br D39815 [1,1,0,0,0,0|2,0,0]=4 187 B9R0.27 CCC(=O)[C@H](F)C(=O)OC M43406 [0,1,0,0,0,1|1,0,0]=3 188 B9R0.27 COC(=O)C(Cl)C(=O)OC D41185 [0,1,0,0,0,1|2,0,0]=4 189 B9R0.27 COC(=O)C(F)C(=O)OC D1449 [0,1,0,0,0,1|2,0,0]=4 190 B9R0.27 COC(=O)C(N)C(=O)OC D41379 [0,1,0,0,0,1|2,0,0]=4 191 B9R0.34 CCCC(=O)CC(=O)OC M39290 [0,1,0,0,0,1|1,0,0]=3 192 B9R0.34 CCOC(=O)CC(=O)CC E43812 [0,1,0,0,0,1|0,0,0]=2 193 B9R0.34 CCOC(=O)CC(=O)CCl E64939 [0,1,0,0,0,1|1,0,0]=3 194 B9R0.34 CCOC(=O)CC(=O)NN E40373 [0,1,0,0,0,1|2,0,0]=4 195 B9R0.34 CCOC(=O)NC(=O)CCl E62948 [0,1,0,0,0,1|1,0,0]=3 196 B9R0.42 CCC(=O)O[C@@H](Cl)C(C)C C38219 [0,1,0,0,0,1|1,0,1]=4 197 B9R0.6 CCOC(=O)C(=O)[C@H](C)Br B38137 [0,2,0,0,0,0|0,0,0]=2 198 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O E38566 [0,2,0,0,0,0|1,0,1]=4 199 B9R0.6 CCOC(=O)[C@H](N)C(C)C E46519 [0,2,0,0,0,0|1,0,1]=4 200 B9R0.25 COC(=O)C(=O)C(F)(F)F M40067 [0,2,0,0,0,0|2,0,0]=4 201 B9R0.23 CC(C)OC(=O)C(=O)CBr P65399 [0,2,0,0,0,0|1,0,0]=3 202 B9R0.23 CCC(=O)[C@@H](C)CN(C)C D47174 [0,2,0,0,0,0|1,0,1]=4 203 B9R0.35 CCCC(=O)C(=O)OCC E43810 [0,2,0,0,0,0|0,0,0]=2 204 B9R0.35 CCC[C@H](C)C(=O)OCC E39445 [0,2,0,0,0,0|1,0,1]=4 205 B9R0.35 CCC[C@H](N)C(=O)OCC N65311 [0,2,0,0,0,0|1,0,1]=4 206 B9R0.35 CCOC(=N)C(=O)OCC E32050 [0,2,0,0,0,0|1,0,0]=3 207 B9R0.35 CCOC(=O)C(=O)[CH-]C#N P41417 [0,2,0,0,0,0|0,0,2]=4 208 B9R0.35 CCOC(=O)C(=O)[CH-]C#N S43425 [0,2,0,0,0,0|0,0,2]=4 209 B9R0.37 CCOC(=O)[C@@H](C#N)CC E43773 [0,2,0,0,0,0|1,0,1]=4 210 B7R1.1 BrCC1=CCCC1 B7551 [1,0,0,1,0,0|2,0,0]=4 211 B7R1.2 CC1=CC(=O)CC1 M22783 [1,0,0,1,0,0|0,0,1]=3 212 B7R1.2 CC1=CC(=O)CO1 M41117 [1,0,0,1,0,0|1,0,1]=4 213 B7R1.2 CN1CCC(=O)C1 M5444 [1,0,0,1,0,0|1,0,1]=4 214 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [1,0,0,1,0,0|1,0,1]=4 215 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [1,0,0,1,0,0|2,0,0]=4 216 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [1,0,0,1,0,0|1,0,0]=3 217 B7R1.2 C[C@H]1COC(=O)N1 M40226 [1,0,0,1,0,0|2,0,0]=4 218 B7R1.2 O=C1CC[C@H](O)C1 H22750 [1,0,0,1,0,0|1,0,1]=4 219 B7R1.3 CC1=CCCNC1 M12102 [1,0,0,1,0,0|2,0,0]=4 220 B7R1.3 CC1=CCNCC1 M26826 [1,0,0,1,0,0|2,0,0]=4 221 B7R1.3 O=C1C=CCCN1 D67780 [1,0,0,1,0,0|1,0,1]=4 222 B7R1.3 O=C1C=CCOC1 P26982 [1,0,0,1,0,0|1,0,1]=4 223 B7R1.3 O=C1CCCCN1 P69632 [1,0,0,1,0,0|1,0,0]=3 224 B7R1.3 O=C1CCCNC1 P1523 [1,0,0,1,0,0|1,0,1]=4 225 B7R1.3 O=C1CCCNC1 P31811 [1,0,0,1,0,0|1,0,1]=4 226 B7R1.3 O=C1CCCOC1 T7026 [1,0,0,1,0,0|1,0,1]=4 227 B7R1.3 O=C1CCCSC1 T1776 [1,0,0,1,0,0|1,0,1]=4 228 B7R1.3 O=C1CCNCC1 P23503 [1,0,0,1,0,0|1,0,1]=4 229 B7R1.3 O=C1CCOCC1 T4632 [1,0,0,1,0,0|1,0,1]=4 230 B7R1.3 O=C1CCSCC1 T6200 [1,0,0,1,0,0|1,0,1]=4 231 B7R1.3 O=C1CNCCN1 P10419 [1,0,0,1,0,0|2,0,0]=4 232 B7R1.3 O=C1COCCN1 M7700 [1,0,0,1,0,0|2,0,0]=4 233 B7R1.3 O=C1COCCO1 D38663 [1,0,0,1,0,0|2,0,0]=4 234 B7R1.3 O=C1CSCCN1 T40230 [1,0,0,1,0,0|2,0,0]=4 235 B7R1.4 CN1CCNC1=O M40241 [1,0,0,1,0,0|2,0,0]=4 236 B7R1.4 C[C@@H]1OCCC1=O M41223 [1,0,0,1,0,0|1,0,1]=4 237 B7R1.4 C[C@H]1CCCC1=O M41458 [1,0,0,1,0,0|0,0,1]=3 238 B7R1.4 C[C@H]1CCNC1=O M41257 [1,0,0,1,0,0|1,0,0]=3 239 B7R1.4 C[C@H]1CCOC1=O M41224 [1,0,0,1,0,0|1,0,0]=3 240 B7R1.4 N[C@@H]1CCNC1=O A40242 [1,0,0,1,0,0|2,0,0]=4 241 B7R1.4 N[C@@H]1CCNC1=O A62971 [1,0,0,1,0,0|2,0,0]=4 242 B7R1.4 N[C@@H]1CCOC1=O H68344 [1,0,0,1,0,0|2,0,0]=4 243 B7R1.4 N[C@H]1CCNC1=O A24294 [1,0,0,1,0,0|2,0,0]=4 244 B7R1.4 N[C@H]1CCOC1=O A40300 [1,0,0,1,0,0|2,0,0]=4 245 B7R1.4 N[C@H]1CCOC1=O A40335 [1,0,0,1,0,0|2,0,0]=4 246 B7R1.4 O=C1NCC[C@@H]1O H20173 [1,0,0,1,0,0|2,0,0]=4 247 B7R1.4 O=C1NCC[C@@H]1O H37914 [1,0,0,1,0,0|2,0,0]=4 248 B7R1.4 O=C1NCC[C@H]1O H40227 [1,0,0,1,0,0|2,0,0]=4 249 B7R1.4 O=C1OCC[C@@H]1Br B31114 [1,0,0,1,0,0|2,0,0]=4 250 B7R1.8 O=C1CC[C@@H]1CO H13228 [1,0,0,1,0,0|1,0,1]=4 251 B7R1.22 CCC(=O)C1CC1 C24823 [1,0,0,1,0,0|0,0,1]=3 252 B7R1.17 CC1(C)CCC1=O D60316 [1,0,0,1,0,0|1,0,1]=4 253 B7R1.18 CC(=O)C1CCC1 C22926 [1,0,0,1,0,0|1,0,1]=4 254 B9R1.37 CC1=C(C)C(=O)OC1=O D68903 [0,0,0,1,0,1|0,0,2]=4 255 B9R1.37 C[C@H]1C(=O)OC(=O)N1C D24385 [0,0,0,1,0,1|1,0,0]=3 256 B9R1.48 O=C1CCCCC(=O)C1 C37584 [0,0,0,1,0,1|0,0,0]=2 257 B9R1.48 O=C1CCCNC(=O)C1 A43379 [0,0,0,1,0,1|1,0,0]=3 258 B9R1.69 C[C@H]1CCC(=O)NC1=O M43382 [0,0,0,1,0,1|0,0,0]=2 259 B9R1.69 N[C@H]1CCC(=O)NC1=O A29783 [0,0,0,1,0,1|1,0,0]=3 260 B9R1.69 N[C@H]1CCC(=O)NC1=O A41311 [0,0,0,1,0,1|1,0,0]=3 261 B9R1.69 O=C1CC[C@H](Br)C(=O)N1 B41113 [0,0,0,1,0,1|1,0,0]=3 262 B9R1.3 CN1CCC[C@H](N)C1=O A11570 [0,1,0,1,0,0|2,0,0]=4 263 B9R1.3 CN1CCC[C@H](N)C1=O A14658 [0,1,0,1,0,0|2,0,0]=4 264 B9R1.3 CN1CCC[C@H](N)C1=O A43470 [0,1,0,1,0,0|2,0,0]=4 265 B9R1.3 O=C1CCCC(O)=C1I H60380 [0,1,0,1,0,0|1,0,1]=4 266 B9R1.101 COC(=O)C(Cl)=C1CC1 M69618 [0,1,0,1,0,0|2,0,0]=4 267 B9R1.132 CN1CC[C@H](CO)C1=O H41509 [0,1,0,1,0,0|2,0,0]=4 268 B9R1.132 COC1=C(Br)C(=O)CC1 B61380 [0,1,0,1,0,0|1,0,1]=4 269 B9R1.5 CN1CCCCCC1=O M39292 [0,1,0,1,0,0|2,0,0]=4 270 B9R1.5 CN1CCCNCC1=O M1178 [0,1,0,1,0,0|2,0,0]=4 271 B9R1.5 CN1CCNCCC1=O M41536 [0,1,0,1,0,0|2,0,0]=4 272 B9R1.5 CN1CCNCCC1=O M43468 [0,1,0,1,0,0|2,0,0]=4 273 B9R1.5 N[C@@H]1CCCCNC1=O A43466 [0,1,0,1,0,0|1,0,1]=4 274 B9R1.5 N[C@H]1CCCCNC1=O A24830 [0,1,0,1,0,0|1,0,1]=4 275 B9R1.5 N[C@H]1CCCCNC1=O A43463 [0,1,0,1,0,0|1,0,1]=4 276 B9R1.11 COC(=O)C1=CCCC1 M43720 [0,1,0,1,0,0|2,0,0]=4 277 B9R1.15 O=CC1=C(Cl)CCCC1 C46451 [0,1,0,1,0,0|1,0,0]=3 278 B9R1.74 CCOC(=O)C1(Br)CC1 E26278 [0,1,0,1,0,0|1,0,1]=4 279 B9R1.74 CCOC(=O)C1(C)CC1 E43807 [0,1,0,1,0,0|1,0,1]=4 280 B9R1.74 CCOC(=O)C1(N)CC1 E67975 [0,1,0,1,0,0|1,0,1]=4 281 B9R1.74 CCOC(=O)C1(O)CC1 E19212 [0,1,0,1,0,0|0,0,2]=4 282 B9R2.109 O=C1CCCC2CC12 B13672 [0,0,0,2,0,0|1,0,1]=4 283 B9R2.109 O=C1CCCC2OC12 X43306 [0,0,0,2,0,0|0,0,2]=4 284 B9R0.24 COC(=O)CCC(=O)CN M68150 [0,0,0,0,0,2|2,0,0]=4