0 B6R0.3 C=C(Br)C(=O)OC M40168 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.3 C=C(CBr)C(=O)O B40169 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.3 C=C(F)C(=O)OC M40171 [0,0,0,0,0,0|4,0,0]=4 3 B6R0.3 C=C[C@H](C)C(=O)O M60559 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.3 C=C[C@H](N)C(=O)O A40334 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.3 CCC(=O)C(=O)[O-] S40297 [0,0,0,0,0,0|1,0,1]=2 6 B6R0.3 CCC(=O)N(C)C D67412 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.3 CCN(C)C(=O)Cl E40250 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.3 CCN(C)C(C)=O E40404 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.3 CC[C@@H](C)C(=O)O M40381 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.3 CC[C@@H](N)C(N)=O A40305 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.3 CC[C@H](N)C(=O)O A40349 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.3 CC[C@H](N)C(=O)O A68376 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.3 CC[C@H](N)C(N)=O A64477 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.3 CC[C@H](O)C(=O)O H23105 [0,0,0,0,0,0|1,0,2]=3 15 B6R0.3 CN(C)C(=O)CBr B40249 [0,0,0,0,0,0|4,0,0]=4 16 B6R0.3 CN(C)C(=O)CN A39947 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.3 CN(C)C(=O)CN A40307 [0,0,0,0,0,0|4,0,0]=4 18 B6R0.3 CN(C)C(=O)CN A61441 [0,0,0,0,0,0|4,0,0]=4 19 B6R0.3 CN(C)C(=O)CO H40267 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.3 CN[C@@H](C)C(=O)O M68914 [0,0,0,0,0,0|3,0,1]=4 21 B6R0.3 CN[C@H](C)C(=O)O M63076 [0,0,0,0,0,0|3,0,1]=4 22 B6R0.3 COC(=O)[C@@H](C)O M68913 [0,0,0,0,0,0|3,0,1]=4 23 B6R0.3 COC(=O)[C@H](C)O M69777 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.3 CO[C@@H](C)C(=O)O M11053 [0,0,0,0,0,0|3,0,1]=4 25 B6R0.3 CO[C@@H](C)C(=O)O M69861 [0,0,0,0,0,0|3,0,1]=4 26 B6R0.3 CO[C@H](C)C(=O)O M8894 [0,0,0,0,0,0|3,0,1]=4 27 B6R0.3 C[C@@H](O)[C@H](N)CO A68622 [0,0,0,0,0,0|2,0,2]=4 28 B6R0.3 C[C@H](CN)C(=O)O A40352 [0,0,0,0,0,0|2,0,1]=3 29 B6R0.3 C[C@H](O)[C@@H](N)CO T39965 [0,0,0,0,0,0|2,0,2]=4 30 B6R0.3 NC(=O)[C@H](N)CO A39930 [0,0,0,0,0,0|2,0,1]=3 31 B6R0.3 NC[C@@H](O)C(=O)O A39878 [0,0,0,0,0,0|1,0,2]=3 32 B6R0.3 NC[C@H](N)C(=O)O D39929 [0,0,0,0,0,0|2,0,1]=3 33 B6R0.3 NC[C@H](O)C(=O)O S39877 [0,0,0,0,0,0|1,0,2]=3 34 B6R0.3 N[C@@H](CS)C(=O)O A39926 [0,0,0,0,0,0|1,1,1]=3 35 B6R0.3 N[C@H](CCl)C(=O)O A39869 [0,0,0,0,0,0|2,0,1]=3 36 B6R0.3 N[C@H](CCl)C(=O)O A63558 [0,0,0,0,0,0|2,0,1]=3 37 B6R0.3 N[C@H](CS)C(=O)O A37860 [0,0,0,0,0,0|1,1,1]=3 38 B6R0.3 N[C@H](CS)C(=O)O C67456 [0,0,0,0,0,0|1,1,1]=3 39 B6R0.3 N[C@H](CS)C(=O)O C69203 [0,0,0,0,0,0|1,1,1]=3 40 B6R0.3 O=C(O)[C@@H](Br)CBr D39848 [0,0,0,0,0,0|2,0,1]=3 41 B6R0.3 O=C(O)[C@@H](O)CO D38851 [0,0,0,0,0,0|0,0,2]=2 42 B5R0.1 C#CCC(=O)O B38084 [1,0,0,0,0,0|1,0,2]=4 43 B5R0.1 CC#CC(=O)O B67945 [1,0,0,0,0,0|1,0,2]=4 44 B5R0.1 CC(=O)CCCl C69539 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.1 CNCC(=O)O M68590 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.1 COCC(=O)O M69331 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.1 C[C@H](O)CCO B68917 [1,0,0,0,0,0|1,0,2]=4 48 B5R0.1 NCCC(N)=O A67869 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.1 NCC[P@H](=O)O A39788 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.1 NOCC(=O)O C40302 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.1 O=C(O)\C=C\Br B9431 [1,0,0,0,0,0|1,0,1]=3 52 B5R0.1 O=[N+]([O-])CCO N39779 [1,0,0,0,0,0|1,0,2]=4 53 B5R0.3 C=C(CO)CO M5145 [1,0,0,0,0,0|1,0,1]=3 54 B5R0.3 C=CC(=O)NC M37664 [1,0,0,0,0,0|3,0,0]=4 55 B5R0.3 C=C[C@H](N)CO A40343 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.3 CC(CO)CO M60880 [1,0,0,0,0,0|1,0,2]=4 57 B5R0.3 CCC(=N)NO H39883 [1,0,0,0,0,0|3,0,0]=4 58 B5R0.3 CCC(=O)CN A32390 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.3 CCC(=O)CO H36713 [1,0,0,0,0,0|1,0,1]=3 60 B5R0.3 CNC(=O)CBr B60913 [1,0,0,0,0,0|3,0,0]=4 61 B5R0.3 CNC(=O)CCl C67921 [1,0,0,0,0,0|3,0,0]=4 62 B5R0.3 COC(=O)CN M69126 [1,0,0,0,0,0|3,0,0]=4 63 B5R0.3 COC(=O)CO M67586 [1,0,0,0,0,0|2,0,0]=3 64 B5R0.3 NNC(=O)CO H32091 [1,0,0,0,0,0|2,0,0]=3 65 B5R0.3 O=C(CCl)CCl D4849 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.3 O=C[C@H](O)CO D39873 [1,0,0,0,0,0|0,0,2]=3 67 B5R0.5 C=C(F)C(=O)O F39831 [1,0,0,0,0,0|1,0,1]=3 68 B5R0.5 CC(=O)C(=O)[O-] C43424 [1,0,0,0,0,0|0,0,1]=2 69 B5R0.5 CC(C)C(N)=O I4848 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.5 CC(O)C(=O)[O-] C60888 [1,0,0,0,0,0|0,0,3]=4 71 B5R0.5 CN(N)C(N)=O M1991 [1,0,0,0,0,0|3,0,0]=4 72 B5R0.5 C[C@@H](Cl)C(=O)O C60901 [1,0,0,0,0,0|1,0,1]=3 73 B5R0.5 C[C@@H](N)C(N)=O A69602 [1,0,0,0,0,0|2,0,1]=4 74 B5R0.5 C[C@@H](O)C(N)=O H68918 [1,0,0,0,0,0|1,0,2]=4 75 B5R0.5 C[C@H](N)C(=O)O A39925 [1,0,0,0,0,0|1,0,1]=3 76 B5R0.5 C[C@H](N)C(=O)O A60902 [1,0,0,0,0,0|1,0,1]=3 77 B5R0.5 O=C(O)C(=O)O A69569 [1,0,0,0,0,0|0,0,0]=1 78 B5R0.5 O=C(O)C(=O)O E39942 [1,0,0,0,0,0|0,0,0]=1 79 B7R0.5 C#CC[C@@H](N)C(=O)O A41167 [0,1,0,0,0,0|2,0,1]=4 80 B7R0.5 C#CC[C@@H](N)C(=O)O A41354 [0,1,0,0,0,0|2,0,1]=4 81 B7R0.5 C#CC[C@H](N)C(=O)O A41168 [0,1,0,0,0,0|2,0,1]=4 82 B7R0.5 C#CC[C@H](N)C(=O)O A41353 [0,1,0,0,0,0|2,0,1]=4 83 B7R0.5 C#CC[C@H](N)C(=O)O A41355 [0,1,0,0,0,0|2,0,1]=4 84 B7R0.5 C=CC[C@@H](N)C(=O)O A41371 [0,1,0,0,0,0|2,0,1]=4 85 B7R0.5 C=CC[C@H](N)C(=O)O A68612 [0,1,0,0,0,0|2,0,1]=4 86 B7R0.5 CCC=C(C)C(=O)O M39198 [0,1,0,0,0,0|2,0,0]=3 87 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [0,1,0,0,0,0|2,0,1]=4 88 B7R0.5 CCC[C@H](O)C(=O)O H40390 [0,1,0,0,0,0|1,0,2]=4 89 B7R0.5 CCOC(=O)C(=O)O E36772 [0,1,0,0,0,0|1,0,0]=2 90 B7R0.5 CCOC(=O)C(C)=O E60800 [0,1,0,0,0,0|2,0,0]=3 91 B7R0.5 CCOC(=O)C(N)=O E60589 [0,1,0,0,0,0|2,0,0]=3 92 B7R0.5 CCOC(=O)C(N)=S E15645 [0,1,0,0,0,0|2,1,0]=4 93 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [0,1,0,0,0,0|2,0,1]=4 94 B7R0.5 CC\C=C(/C)C(=O)O M41462 [0,1,0,0,0,0|2,0,0]=3 95 B7R0.5 COC[C@@H](N)C(=O)O A40353 [0,1,0,0,0,0|1,0,1]=3 96 B7R0.5 COC[C@@H](N)C(=O)O A61058 [0,1,0,0,0,0|1,0,1]=3 97 B7R0.5 COC[C@H](Br)C(=O)O B40233 [0,1,0,0,0,0|1,0,1]=3 98 B7R0.5 COC[C@H](N)C(=O)O A40354 [0,1,0,0,0,0|1,0,1]=3 99 B7R0.5 COC[C@H](N)C(=O)O A67760 [0,1,0,0,0,0|1,0,1]=3 100 B7R0.5 NCC[C@@H](N)C(=O)O D40355 [0,1,0,0,0,0|2,0,1]=4 101 B7R0.5 NCC[C@H](F)C(=O)O A63044 [0,1,0,0,0,0|2,0,1]=4 102 B7R0.5 NCC[C@H](N)C(=O)O D37858 [0,1,0,0,0,0|2,0,1]=4 103 B7R0.5 NCC[C@H](N)C(=O)O D68313 [0,1,0,0,0,0|2,0,1]=4 104 B7R0.5 NCC[C@H](O)C(=O)O A39157 [0,1,0,0,0,0|1,0,2]=4 105 B7R0.5 NOC[C@H](N)C(=O)O A39931 [0,1,0,0,0,0|1,0,1]=3 106 B7R0.5 N[C@@H](CCBr)C(=O)O A37762 [0,1,0,0,0,0|2,0,1]=4 107 B7R0.5 N[C@@H](CCO)C(=O)O A68603 [0,1,0,0,0,0|1,0,1]=3 108 B7R0.5 N[C@@H](CCS)C(=O)O H68345 [0,1,0,0,0,0|1,1,1]=4 109 B7R0.5 N[C@H](CCO)C(=O)O A68363 [0,1,0,0,0,0|1,0,1]=3 110 B7R0.5 N[C@H](CCS)C(=O)O A66150 [0,1,0,0,0,0|1,1,1]=4 111 B7R0.10 C=C(CBr)C(=O)OC M36843 [0,1,0,0,0,0|2,0,0]=3 112 B7R0.10 C=C(CO)C(=O)OC M7022 [0,1,0,0,0,0|1,0,0]=2 113 B7R0.10 CC(=N/O)\C(C)=N\O B68610 [0,1,0,0,0,0|3,0,0]=4 114 B7R0.10 CCC(=O)C(=O)CC H41459 [0,1,0,0,0,0|2,0,0]=3 115 B7R0.10 CCC(=O)N(C)OC M40411 [0,1,0,0,0,0|3,0,0]=4 116 B7R0.10 CC[C@@H](N)C(=O)OC M61982 [0,1,0,0,0,0|2,0,1]=4 117 B7R0.10 CC[C@H](Br)C(=O)OC M68973 [0,1,0,0,0,0|2,0,1]=4 118 B7R0.10 CC[C@H](N)C(=O)OC M40408 [0,1,0,0,0,0|2,0,1]=4 119 B7R0.10 CC[C@H](N)C(=O)OC M41330 [0,1,0,0,0,0|2,0,1]=4 120 B7R0.10 CC[C@H](N)C(=O)OC M41334 [0,1,0,0,0,0|2,0,1]=4 121 B7R0.10 COC(=O)C(=O)CBr M2726 [0,1,0,0,0,0|1,0,0]=2 122 B7R0.10 COC(=O)[C@@H](Br)CO M40234 [0,1,0,0,0,0|1,0,1]=3 123 B7R0.10 COC(=O)[C@@H](C)CBr M41268 [0,1,0,0,0,0|2,0,1]=4 124 B7R0.10 COC(=O)[C@@H](C)CO M25480 [0,1,0,0,0,0|1,0,1]=3 125 B7R0.10 COC(=O)[C@@H](Cl)CCl M69066 [0,1,0,0,0,0|2,0,1]=4 126 B7R0.10 COC(=O)[C@@H](F)CO M60918 [0,1,0,0,0,0|1,0,1]=3 127 B7R0.10 COC(=O)[C@@H](N)CO M68693 [0,1,0,0,0,0|1,0,1]=3 128 B7R0.10 COC(=O)[C@@H](N)CO S64541 [0,1,0,0,0,0|1,0,1]=3 129 B7R0.10 COC(=O)[C@@H](O)CN M61501 [0,1,0,0,0,0|1,0,2]=4 130 B7R0.10 COC(=O)[C@@H](O)CO M40259 [0,1,0,0,0,0|0,0,2]=3 131 B7R0.10 COC(=O)[C@H](C)CO M40393 [0,1,0,0,0,0|1,0,1]=3 132 B7R0.10 COC(=O)[C@H](N)CCl M69012 [0,1,0,0,0,0|2,0,1]=4 133 B7R0.10 COC(=O)[C@H](N)CS M69349 [0,1,0,0,0,0|1,1,1]=4 134 B7R0.10 COC(=O)[C@H](O)CO M40258 [0,1,0,0,0,0|0,0,2]=3 135 B7R0.10 CON(C)C(=O)CCl C40248 [0,1,0,0,0,0|3,0,0]=4 136 B7R0.10 NNC(=O)[C@@H](N)CO S39933 [0,1,0,0,0,0|2,0,1]=4 137 B7R0.13 CC(C)(CF)C(=O)O F41272 [0,1,0,0,0,0|2,0,1]=4 138 B7R0.13 CC(C)(CO)C(=O)O H68365 [0,1,0,0,0,0|1,0,1]=3 139 B7R0.13 CC[C@@](C)(N)C(=O)O K69340 [0,1,0,0,0,0|2,0,1]=4 140 B7R0.13 CC[C@](C)(N)C(=O)O K68055 [0,1,0,0,0,0|2,0,1]=4 141 B7R0.13 C[C@@](N)(CO)C(=O)O M36868 [0,1,0,0,0,0|1,0,1]=3 142 B7R0.13 C[C@](N)(CO)C(=O)O A32019 [0,1,0,0,0,0|1,0,1]=3 143 B7R0.13 C[C@](O)(CBr)C(=O)O B40235 [0,1,0,0,0,0|1,0,2]=4 144 B7R0.13 NCC(F)(F)C(=O)O A62796 [0,1,0,0,0,0|2,0,1]=4 145 B7R0.13 NCC(F)(F)C(=O)O A67336 [0,1,0,0,0,0|2,0,1]=4 146 B7R0.15 O=C(O)C(CBr)CBr B40213 [0,1,0,0,0,0|2,0,1]=4 147 B7R0.15 O=C(O)C(CS)CS M67176 [0,1,0,0,0,0|0,2,1]=4 148 B7R0.16 CC(C)C(=O)C(=O)[O-] S41304 [0,1,0,0,0,0|1,0,1]=3 149 B7R0.16 CC(C)[C@@H](N)C(=O)O A60652 [0,1,0,0,0,0|2,0,1]=4 150 B7R0.16 CC(C)[C@@H](O)C(=O)O H64151 [0,1,0,0,0,0|1,0,2]=4 151 B7R0.16 CC(C)[C@H](O)C(=O)O H40392 [0,1,0,0,0,0|1,0,2]=4 152 B7R0.16 CC(O)C(N)C(=O)O T61081 [0,1,0,0,0,0|1,0,1]=3 153 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O A67434 [0,1,0,0,0,0|1,0,1]=3 154 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O A40309 [0,1,0,0,0,0|2,0,1]=4 155 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O A68604 [0,1,0,0,0,0|1,0,1]=3 156 B7R0.16 O=C(O)C(=O)C(Br)Br D39815 [0,1,0,0,0,0|1,0,0]=2 157 B7R1.4 C[C@@H]1OCCC1=O M41223 [0,0,0,1,0,0|2,0,1]=4 158 B7R1.4 C[C@H]1CCOC1=O M41224 [0,0,0,1,0,0|2,0,1]=4 159 B7R1.4 N[C@@H]1CCOC1=O H68344 [0,0,0,1,0,0|2,0,1]=4 160 B7R1.4 N[C@H]1CCOC1=O A40300 [0,0,0,1,0,0|2,0,1]=4 161 B7R1.4 N[C@H]1CCOC1=O A40335 [0,0,0,1,0,0|2,0,1]=4 162 B7R1.4 O=C1CCC=C1Br B3409 [0,0,0,1,0,0|3,0,0]=4 163 B7R1.4 O=C1CCC=C1O H41119 [0,0,0,1,0,0|2,0,0]=3 164 B7R1.4 O=C1OCC[C@@H]1Br B31114 [0,0,0,1,0,0|2,0,1]=4 165 B7R1.8 O=C1CC[C@@H]1CO H13228 [0,0,0,1,0,0|2,0,1]=4 166 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [0,0,0,1,0,0|2,0,1]=4 167 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [0,0,0,1,0,0|2,0,1]=4 168 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [0,0,0,1,0,0|2,0,1]=4 169 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [0,0,0,1,0,0|2,0,1]=4 170 B7R1.12 O=C(O)C1CC1F F20460 [0,0,0,1,0,0|2,0,1]=4 171 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F F8695 [0,0,0,1,0,0|2,0,1]=4 172 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I K67056 [0,0,0,1,0,0|2,0,1]=4 173 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F18516 [0,0,0,1,0,0|2,0,1]=4 174 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F21701 [0,0,0,1,0,0|2,0,1]=4 175 B7R1.12 O=C(O)[C@H]1C[C@@H]1F F21702 [0,0,0,1,0,0|2,0,1]=4 176 B7R1.18 O=C(O)C1CCC1 C39184 [0,0,0,1,0,0|2,0,1]=4 177 B7R1.18 O=C(O)C1CNC1 A0022 [0,0,0,1,0,0|2,0,1]=4 178 B7R1.18 O=C(O)C1CNC1 A62344 [0,0,0,1,0,0|2,0,1]=4 179 B7R1.18 O=C(O)[C@@H]1CCN1 A0692 [0,0,0,1,0,0|2,0,1]=4 180 B7R1.18 O=C(O)[C@@H]1CCN1 A0705 [0,0,0,1,0,0|2,0,1]=4 181 B7R1.18 O=C(O)[C@@H]1CCO1 X60210 [0,0,0,1,0,0|1,0,2]=4 182 B7R1.18 O=C(O)[C@@H]1CCO1 X6939 [0,0,0,1,0,0|1,0,2]=4 183 B7R1.18 O=C(O)[C@H]1CCN1 A0706 [0,0,0,1,0,0|2,0,1]=4 184 B7R1.18 O=C(O)[C@H]1CCN1 A40336 [0,0,0,1,0,0|2,0,1]=4 185 B7R1.18 O=C(O)[C@H]1CCO1 X60294 [0,0,0,1,0,0|1,0,2]=4 186 B7R1.19 CC1(C(=O)O)CC1 M10729 [0,0,0,1,0,0|2,0,1]=4 187 B7R1.19 NC1(C(=O)O)CC1 A7850 [0,0,0,1,0,0|2,0,1]=4 188 B7R1.19 O=C(O)C1(Br)CC1 B40170 [0,0,0,1,0,0|2,0,1]=4 189 B7R1.19 O=C(O)C1(F)CC1 F32122 [0,0,0,1,0,0|2,0,1]=4 190 B7R1.19 O=C(O)C1(O)CC1 H13746 [0,0,0,1,0,0|1,0,2]=4 191 B7R0.2 CC(C)OC(=O)CO I38145 [0,0,0,0,0,1|2,0,1]=4 192 B7R0.2 CCC(=O)CC(C)=O H69646 [0,0,0,0,0,1|2,0,0]=3 193 B7R0.2 CCC(=O)OC(C)=O A41227 [0,0,0,0,0,1|2,0,0]=3 194 B7R0.2 CC[C@H](C)CC(=O)O M41552 [0,0,0,0,0,1|2,0,1]=4 195 B7R0.2 CC[C@H](N)CC(=O)O A69512 [0,0,0,0,0,1|2,0,1]=4 196 B7R0.2 COC(=O)CC(=O)Cl M40174 [0,0,0,0,0,1|3,0,0]=4 197 B7R0.2 COC(=O)CC(=O)O M37882 [0,0,0,0,0,1|2,0,0]=3 198 B7R0.2 COC(=O)CC(=O)[O-] P67199 [0,0,0,0,0,1|2,0,1]=4 199 B7R0.2 NC[C@@H](O)CC(=O)O A32052 [0,0,0,0,0,1|1,0,2]=4 200 B7R0.2 NC[C@H](O)CC(=O)O A67723 [0,0,0,0,0,1|1,0,2]=4 201 B7R0.2 N[C@@H](CO)CC(=O)O A38154 [0,0,0,0,0,1|1,0,1]=3 202 B4R0.1 C=C(Br)CO B39863 [2,0,0,0,0,0|1,0,0]=3 203 B4R0.1 C=C(I)CO I9998 [2,0,0,0,0,0|1,0,0]=3 204 B4R0.1 CC(=O)CN A38843 [2,0,0,0,0,0|1,0,1]=4 205 B4R0.1 CC(=O)CO H60801 [2,0,0,0,0,0|0,0,1]=3 206 B4R0.1 CC(=O)NN A64932 [2,0,0,0,0,0|2,0,0]=4 207 B4R0.1 CC(C)=CBr B2881 [2,0,0,0,0,0|2,0,0]=4 208 B4R0.1 CC(N)=NO H37897 [2,0,0,0,0,0|2,0,0]=4 209 B4R0.1 CCC(N)=O P68920 [2,0,0,0,0,0|1,0,1]=4 210 B4R0.1 C[C@H](O)CO P60705 [2,0,0,0,0,0|1,0,1]=4 211 B4R0.1 N=C(N)CO H39795 [2,0,0,0,0,0|2,0,0]=4 212 B4R0.1 NC(=O)CBr B39771 [2,0,0,0,0,0|2,0,0]=4 213 B4R0.1 NC(=O)CI K60849 [2,0,0,0,0,0|2,0,0]=4 214 B4R0.1 NC(=O)CO H68919 [2,0,0,0,0,0|1,0,0]=3 215 B4R0.1 NCC(N)=O G69255 [2,0,0,0,0,0|2,0,0]=4 216 B4R0.2 C=CCCO B40252 [2,0,0,0,0,0|1,0,1]=4 217 B4R0.2 OCCCO P69117 [2,0,0,0,0,0|0,0,2]=4 218 B6R0.1 C#C\C(C)=C/CO M43300 [1,1,0,0,0,0|2,0,0]=4 219 B6R0.1 CCOC(=O)CO E37817 [1,1,0,0,0,0|2,0,0]=4 220 B6R0.1 CCOC(=O)OC E40254 [1,1,0,0,0,0|2,0,0]=4 221 B6R0.1 COC(=O)CCBr M39155 [1,1,0,0,0,0|1,0,1]=4 222 B6R0.1 COC(=O)CCN M67902 [1,1,0,0,0,0|1,0,1]=4 223 B6R0.1 COC(=O)CCO M24551 [1,1,0,0,0,0|0,0,1]=3 224 B6R0.1 COC(=O)OCCl C62332 [1,1,0,0,0,0|2,0,0]=4 225 B6R0.1 COC(=O)\C=C/Br B3417 [1,1,0,0,0,0|1,0,1]=4 226 B6R0.1 COC(=O)\C=C/I I2748 [1,1,0,0,0,0|1,0,1]=4 227 B6R0.1 COC(=O)\C=C\I M40173 [1,1,0,0,0,0|1,0,1]=4 228 B6R0.2 C[C@@H](N)CC(=O)O A37837 [1,1,0,0,0,0|1,0,1]=4 229 B6R0.2 C[C@@H](N)CC(=O)O A40348 [1,1,0,0,0,0|1,0,1]=4 230 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [1,1,0,0,0,0|0,0,2]=4 231 B6R0.2 C[C@H](N)CC(=O)O A40265 [1,1,0,0,0,0|1,0,1]=4 232 B6R0.2 C[C@H](O)CC(=O)O H38871 [1,1,0,0,0,0|0,0,1]=3 233 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [1,1,0,0,0,0|0,0,2]=4 234 B6R0.4 C#CCCC(=O)O P68088 [1,1,0,0,0,0|1,0,1]=4 235 B6R0.4 C=CCCC(=O)O P37823 [1,1,0,0,0,0|1,0,1]=4 236 B6R0.4 C=C\C=C/C(=O)O P41118 [1,1,0,0,0,0|1,0,1]=4 237 B6R0.4 CC(=O)NCCO H68625 [1,1,0,0,0,0|1,0,1]=4 238 B6R0.4 CNCCC(=O)O M40350 [1,1,0,0,0,0|1,0,1]=4 239 B6R0.4 COC=CC(C)=O M41222 [1,1,0,0,0,0|1,0,1]=4 240 B6R0.4 COCCC(=O)O M40255 [1,1,0,0,0,0|0,0,1]=3 241 B6R0.4 N#CCCC(=O)O C69146 [1,1,0,0,0,0|1,0,1]=4 242 B6R0.4 O=C(O)CCCBr B39154 [1,1,0,0,0,0|1,0,1]=4 243 B6R0.4 O=C(O)CCCCl C40232 [1,1,0,0,0,0|1,0,1]=4 244 B6R0.4 O=C(O)\C=C\CBr B37272 [1,1,0,0,0,0|1,0,0]=3 245 B6R0.5 O=S(=O)(O)CCO H69249 [1,1,0,0,0,0|1,0,1]=4 246 B6R0.7 CC(C)(F)C(=O)O F60900 [1,1,0,0,0,0|1,0,1]=4 247 B6R0.7 CC(F)(F)C(=O)O D39849 [1,1,0,0,0,0|1,0,1]=4 248 B8R0.2 COC(=O)[C@@H](C)C(=O)O M38995 [0,1,0,0,0,1|2,0,0]=4 249 B8R0.5 CCC\C(C)=C\C(=O)O M62391 [0,1,0,0,0,1|2,0,0]=4 250 B8R0.5 CCOC(=O)CC(=O)[O-] P39163 [0,1,0,0,0,1|1,0,1]=4 251 B8R0.5 CCOC(=O)CC(N)=O E38643 [0,1,0,0,0,1|2,0,0]=4 252 B8R0.19 CCC(=O)CC(=O)CC H43801 [0,1,0,0,0,1|2,0,0]=4 253 B8R0.19 CCC(=O)CC(=O)OC M39036 [0,1,0,0,0,1|1,0,0]=3 254 B8R0.19 COC(=O)CC(=O)CCl M61620 [0,1,0,0,0,1|1,0,0]=3 255 B8R0.19 COC(=O)CC(=O)OC D60836 [0,1,0,0,0,1|2,0,0]=4 256 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O A41340 [0,1,0,0,0,1|1,0,1]=4 257 B8R0.3 C=C(CBr)C(=O)OCC E43400 [0,2,0,0,0,0|2,0,0]=4 258 B8R0.3 C=C(CO)C(=O)OCC E41470 [0,2,0,0,0,0|1,0,0]=3 259 B8R0.3 CCOC(=O)C(=O)CBr E15776 [0,2,0,0,0,0|1,0,0]=3 260 B8R0.3 CCOC(=O)C(=O)CBr E2491 [0,2,0,0,0,0|1,0,0]=3 261 B8R0.3 CCOC(=O)C(=O)CC E67705 [0,2,0,0,0,0|1,0,0]=3 262 B8R0.3 CCOC(=O)C(=O)NN E36826 [0,2,0,0,0,0|2,0,0]=4 263 B8R0.3 CCOC(=O)C(N)=NO E40243 [0,2,0,0,0,0|2,0,0]=4 264 B8R0.3 CCOC(=O)[C@@H](N)CO E69027 [0,2,0,0,0,0|1,0,1]=4 265 B8R0.3 CCOC(=O)[C@@H](N)CO S41337 [0,2,0,0,0,0|1,0,1]=4 266 B8R0.3 CCOC(=O)[C@H](N)CO E69611 [0,2,0,0,0,0|1,0,1]=4 267 B8R0.3 CCOC(=O)\C(Cl)=N\O E2979 [0,2,0,0,0,0|2,0,0]=4 268 B8R0.3 COC[C@@H](N)C(=O)OC M38225 [0,2,0,0,0,0|1,0,1]=4 269 B8R0.13 COC(=O)C(C)(C)CO M39204 [0,2,0,0,0,0|1,0,1]=4 270 B8R0.27 C=C(C(=O)O)C(F)(F)F T68006 [0,2,0,0,0,0|2,0,0]=4 271 B8R0.27 CC(C)(C)C(=O)C(=O)O D41469 [0,2,0,0,0,0|1,0,0]=3 272 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O A40416 [0,2,0,0,0,0|1,0,1]=4 273 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O M68349 [0,2,0,0,0,0|1,0,1]=4 274 B6R1.2 O=C1C=CCO1 F5673 [1,0,0,1,0,0|1,0,1]=4 275 B6R1.2 O=C1CCOC1 X0391 [1,0,0,1,0,0|1,0,1]=4 276 B6R1.5 O=C1CC(O)C1 H10121 [1,0,0,1,0,0|1,0,1]=4 277 B6R1.11 O=C(O)C1CC1 C69104 [1,0,0,1,0,0|1,0,1]=4 278 B6R1.4 C[C@@H]1OCC1=O M61882 [1,0,0,1,0,0|1,0,1]=4 279 B6R1.4 C[C@H]1COC1=O M6342 [1,0,0,1,0,0|1,0,1]=4 280 B8R1.1 O=C1C=C(CBr)CO1 B31582 [0,0,0,1,0,1|2,0,0]=4 281 B8R1.1 O=C1C=C(CI)CO1 I6261 [0,0,0,1,0,1|2,0,0]=4 282 B8R1.1 O=C1C=C(CO)CO1 H1535 [0,0,0,1,0,1|1,0,0]=3 283 B8R1.1 O=C1N[C@@H](CO)CO1 H62331 [0,0,0,1,0,1|1,0,1]=4 284 B8R1.1 OCC1=COC(Br)=N1 B3572 [0,0,0,1,0,1|2,0,0]=4 285 B8R1.4 O=C1CCCC(=O)C1 C38740 [0,0,0,1,0,1|2,0,0]=4 286 B8R1.4 O=C1CCCC(=O)N1 P69653 [0,0,0,1,0,1|2,0,0]=4 287 B8R1.4 O=C1CCNC(=O)C1 P7969 [0,0,0,1,0,1|2,0,0]=4 288 B8R1.4 O=C1CNCC(=O)N1 P10757 [0,0,0,1,0,1|2,0,0]=4 289 B8R1.4 O=C1COCC(=O)C1 P7984 [0,0,0,1,0,1|1,0,0]=3 290 B8R1.4 O=C1CSCC(=O)C1 T15232 [0,0,0,1,0,1|1,1,0]=4 291 B8R1.4 O=C1[CH-]C(=O)COC1 S41303 [0,0,0,1,0,1|1,0,0]=3 292 B8R1.18 CC1=CC(=O)O[C@@H]1O H32216 [0,0,0,1,0,1|1,0,0]=3 293 B8R1.18 CC1=CC(=O)[C@H](C)O1 D43303 [0,0,0,1,0,1|2,0,0]=4 294 B8R1.18 C[C@@H]1NC(=O)OC1=O M40162 [0,0,0,1,0,1|2,0,0]=4 295 B8R1.18 C[C@H]1CC(=O)OC1=O M41122 [0,0,0,1,0,1|2,0,0]=4 296 B8R1.18 O=C1C=C(Cl)[C@@H](O)O1 C40066 [0,0,0,1,0,1|1,0,0]=3 297 B8R1.31 O=C(O)[C@@H]1CNC1=O X11510 [0,0,0,1,0,1|2,0,0]=4 298 B8R1.34 O=C(O)C=C1CCC1 C10691 [0,0,0,1,0,1|2,0,0]=4 299 B8R1.34 O=C(O)CC1COC1 X6649 [0,0,0,1,0,1|1,0,1]=4 300 B8R1.5 O=C1C=COC=C1O H23906 [0,1,0,1,0,0|1,0,1]=4 301 B8R1.5 O=C1CCCCC1=O C67839 [0,1,0,1,0,0|2,0,0]=4 302 B8R1.7 O=C(O)C1=CCCC1 C43305 [0,1,0,1,0,0|2,0,0]=4 303 B8R1.7 O=C(O)C1=COC=C1 F14351 [0,1,0,1,0,0|1,0,1]=4 304 B8R1.7 O=C(O)C1=COC=N1 X9342 [0,1,0,1,0,0|1,0,1]=4 305 B8R1.7 O=C(O)C1=COCC1 D8190 [0,1,0,1,0,0|1,0,0]=3 306 B8R1.7 O=C(O)C1=CON=C1 X24704 [0,1,0,1,0,0|1,0,1]=4 307 B8R1.7 O=C(O)C1=NOC=C1 I12360 [0,1,0,1,0,0|1,0,1]=4 308 B8R1.7 O=C(O)C1=NON=C1 X39804 [0,1,0,1,0,0|1,0,1]=4 309 B8R1.7 O=C(O)[C@@H]1CCOC1 T1673 [0,1,0,1,0,0|1,0,1]=4 310 B8R1.7 O=C(O)[C@@H]1COCN1 X40338 [0,1,0,1,0,0|1,0,1]=4 311 B8R1.7 O=C(O)[C@H]1CCOC1 T0394 [0,1,0,1,0,0|1,0,1]=4 312 B8R1.7 O=C(O)[C@H]1CCOC1 T0395 [0,1,0,1,0,0|1,0,1]=4 313 B8R1.23 O=C(O)C1CC(O)C1 H12369 [0,1,0,1,0,0|1,0,1]=4 314 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 H11727 [0,1,0,1,0,0|1,0,1]=4 315 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 H14950 [0,1,0,1,0,0|1,0,1]=4 316 B8R1.54 O=C(O)C(=O)C1CC1 C41121 [0,1,0,1,0,0|1,0,0]=3 317 B8R1.78 CC1(C(=O)O)COC1 M6214 [0,1,0,1,0,0|1,0,1]=4 318 B8R1.78 NC1(C(=O)O)COC1 A5828 [0,1,0,1,0,0|1,0,1]=4 319 B8R1.78 O=C(O)C1(O)COC1 H60052 [0,1,0,1,0,0|0,0,2]=4 320 B8R1.25 O=C1C(=O)C(O)=C1O D3146 [0,1,0,1,0,0|0,0,1]=3 321 B8R1.38 COC(=O)C1COC1 M15764 [0,1,0,1,0,0|1,0,1]=4 322 B8R1.50 O=C1CCC(=O)N1O H68064 [0,1,0,1,0,0|2,0,0]=4 323 B8R1.50 O=C1OCC(Br)=C1Br D2821 [0,1,0,1,0,0|2,0,0]=4 324 B8R1.50 O=C1OC[C@@H](O)[C@H]1O D40215 [0,1,0,1,0,0|0,0,2]=4 325 B8R0.9 CC(=O)NNC(=O)CBr A66903 [0,0,0,0,0,2|2,0,0]=4 326 B8R0.9 CC(=O)NNC(=O)CCl A60722 [0,0,0,0,0,2|2,0,0]=4 327 B8R0.9 COC(=O)CCC(=O)O M37827 [0,0,0,0,0,2|2,0,0]=4 328 B8R0.9 COC(=O)NCC(=O)O M40229 [0,0,0,0,0,2|2,0,0]=4 329 B8R0.9 COC(=O)\C=C\C(=O)O M60916 [0,0,0,0,0,2|2,0,0]=4