0 B6R0.3 C=C(CBr)C(=O)O B40169 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.3 C=C[C@H](C)C(=O)O M60559 [0,0,0,0,0,0|0,0,2]=2 2 B6R0.3 C=C[C@H](N)C(=O)O A40334 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.3 CCC(=O)C(=O)[O-] S40297 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.3 CCN(C)C(=O)Cl E40250 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.3 CCN(C)C(C)=O E40404 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.3 CC[C@@H](C)C(=O)O M40381 [0,0,0,0,0,0|0,0,0]=0 7 B6R0.3 CC[C@@H](N)C(N)=O A40305 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.3 CC[C@H](C)B(O)O B39967 [0,0,0,0,0,0|1,0,1]=2 9 B6R0.3 CC[C@H](N)C(=O)O A40349 [0,0,0,0,0,0|1,0,0]=1 10 B6R0.3 CC[C@H](N)C(=O)O A68376 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.3 CC[C@H](N)C(N)=O A64477 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.3 CC[C@H](O)C(=O)O H23105 [0,0,0,0,0,0|1,0,0]=1 13 B6R0.3 CN[C@@H](C)C(=O)O M68914 [0,0,0,0,0,0|1,0,0]=1 14 B6R0.3 CN[C@H](C)C(=O)O M63076 [0,0,0,0,0,0|1,0,0]=1 15 B6R0.3 CON(C)C(C)=O M3307 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.3 CO[C@@H](C)C(=O)O M11053 [0,0,0,0,0,0|1,0,0]=1 17 B6R0.3 CO[C@@H](C)C(=O)O M69861 [0,0,0,0,0,0|1,0,0]=1 18 B6R0.3 CO[C@H](C)C(=O)O M8894 [0,0,0,0,0,0|1,0,0]=1 19 B6R0.3 C[C@@H](O)[C@H](N)CO A68622 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.3 C[C@H](CN)C(=O)O A40352 [0,0,0,0,0,0|1,0,0]=1 21 B6R0.3 C[C@H](O)[C@@H](N)CO T39965 [0,0,0,0,0,0|3,0,1]=4 22 B6R0.3 NC(=O)[C@H](N)CO A39930 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.3 NC[C@@H](O)C(=O)O A39878 [0,0,0,0,0,0|2,0,0]=2 24 B6R0.3 NC[C@H](N)C(=O)O D39929 [0,0,0,0,0,0|2,0,0]=2 25 B6R0.3 NC[C@H](O)C(=O)O S39877 [0,0,0,0,0,0|2,0,0]=2 26 B6R0.3 N[C@@H](CS)C(=O)O A39926 [0,0,0,0,0,0|2,0,0]=2 27 B6R0.3 N[C@H](CCl)C(=O)O A39869 [0,0,0,0,0,0|2,0,0]=2 28 B6R0.3 N[C@H](CCl)C(=O)O A63558 [0,0,0,0,0,0|2,0,0]=2 29 B6R0.3 N[C@H](CS)C(=O)O A37860 [0,0,0,0,0,0|2,0,0]=2 30 B6R0.3 N[C@H](CS)C(=O)O C67456 [0,0,0,0,0,0|2,0,0]=2 31 B6R0.3 N[C@H](CS)C(=O)O C69203 [0,0,0,0,0,0|2,0,0]=2 32 B6R0.3 O=C(O)[C@@H](Br)CBr D39848 [0,0,0,0,0,0|2,0,0]=2 33 B6R0.3 O=C(O)[C@@H](O)CO D38851 [0,0,0,0,0,0|2,0,0]=2 34 B5R0.1 C#CCC(=O)O B38084 [1,0,0,0,0,0|0,0,2]=3 35 B5R0.1 C=C(C)OCC E5573 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.1 CC#CC(=O)O B67945 [1,0,0,0,0,0|0,0,2]=3 37 B5R0.1 CC(=O)CC#N X40158 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.1 CC(=O)CCCl C69539 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.1 CCCB(O)O P5056 [1,0,0,0,0,0|1,0,1]=3 40 B5R0.1 CCC[C@@H](C)N P16023 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.1 CCC[C@H](C)N P22363 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.1 CCOC(=N)N E36845 [1,0,0,0,0,0|3,0,0]=4 43 B5R0.1 CCOC(=S)[S-] P69346 [1,0,0,0,0,0|1,2,0]=4 44 B5R0.1 CCOC(C)=N E68065 [1,0,0,0,0,0|3,0,0]=4 45 B5R0.1 CNCC(=O)O M68590 [1,0,0,0,0,0|1,0,0]=2 46 B5R0.1 CNCC(N)=O M68358 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.1 COCC(=N)N M39928 [1,0,0,0,0,0|3,0,0]=4 48 B5R0.1 COCC(=O)O M69331 [1,0,0,0,0,0|1,0,0]=2 49 B5R0.1 COC[C@@H](C)O M39959 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.1 COC[C@H](C)O M61064 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.1 C[C@H](O)CCO B68917 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.1 N#CCC(N)=O C60562 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.1 NCCC(N)=O A67869 [1,0,0,0,0,0|2,0,0]=3 54 B5R0.1 NCC[P@H](=O)O A39788 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.1 NOCC(=O)O C40302 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.1 O=C(O)\C=C\Br B9431 [1,0,0,0,0,0|1,0,2]=4 57 B5R0.1 O=[N+]([O-])CCO N39779 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.3 C=C[C@H](C)ON B40346 [1,0,0,0,0,0|3,0,0]=4 59 B5R0.3 C=C[C@H](N)CO A40343 [1,0,0,0,0,0|3,0,0]=4 60 B5R0.3 CC(CBr)CBr D40238 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.3 CC(CO)CO M60880 [1,0,0,0,0,0|1,0,1]=3 62 B5R0.3 CCC(=N)NO H39883 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.3 CCC(=O)CO H36713 [1,0,0,0,0,0|1,0,2]=4 64 B5R0.3 CCC(N)CC P40440 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.3 CC[C@@H](N)CO A39144 [1,0,0,0,0,0|1,0,1]=3 66 B5R0.3 CC[C@@H](O)CO B39955 [1,0,0,0,0,0|1,0,1]=3 67 B5R0.3 CC[C@H](N)CO A39145 [1,0,0,0,0,0|1,0,1]=3 68 B5R0.3 CC[C@H](O)CO B39956 [1,0,0,0,0,0|1,0,1]=3 69 B5R0.3 CO[C@@H](C)CN M40313 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.3 CO[C@@H](C)CO M68380 [1,0,0,0,0,0|1,0,1]=3 71 B5R0.3 CO[C@H](C)CN M40312 [1,0,0,0,0,0|2,0,1]=4 72 B5R0.3 CO[C@H](C)CO M68381 [1,0,0,0,0,0|1,0,1]=3 73 B5R0.3 NC[C@@H](O)CO A67523 [1,0,0,0,0,0|2,0,1]=4 74 B5R0.3 NC[C@H](O)CO A38562 [1,0,0,0,0,0|2,0,1]=4 75 B5R0.3 NC[C@H](O)CO A67451 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.3 O=CC(Br)C=O B2627 [1,0,0,0,0,0|2,0,1]=4 77 B5R0.3 O=C[C@H](O)CO D39873 [1,0,0,0,0,0|2,0,0]=3 78 B5R0.3 OC[C@@H](O)CCl C69122 [1,0,0,0,0,0|2,0,1]=4 79 B5R0.3 OC[C@@H](O)CF F60905 [1,0,0,0,0,0|2,0,1]=4 80 B5R0.3 OC[C@H](O)CCl C68371 [1,0,0,0,0,0|2,0,1]=4 81 B5R0.3 OC[C@H](O)CF F60904 [1,0,0,0,0,0|2,0,1]=4 82 B5R0.5 C=C(F)C(=O)O F39831 [1,0,0,0,0,0|1,0,2]=4 83 B5R0.5 CC(=O)C(=O)[O-] C43424 [1,0,0,0,0,0|1,0,2]=4 84 B5R0.5 CC(C)B(O)O P39893 [1,0,0,0,0,0|1,0,1]=3 85 B5R0.5 CC(C)C(=N)N B40303 [1,0,0,0,0,0|2,0,0]=3 86 B5R0.5 CC(C)C(N)=O I4848 [1,0,0,0,0,0|1,0,0]=2 87 B5R0.5 CC(C)C(N)=S M3101 [1,0,0,0,0,0|1,1,0]=3 88 B5R0.5 CC(C)[S@](=O)[O-] S66891 [1,0,0,0,0,0|1,0,1]=3 89 B5R0.5 CC(O)C(=O)[O-] C60888 [1,0,0,0,0,0|1,0,1]=3 90 B5R0.5 CN(C)C(=S)Cl D8332 [1,0,0,0,0,0|2,1,0]=4 91 B5R0.5 CN(N)C(N)=O M1991 [1,0,0,0,0,0|3,0,0]=4 92 B5R0.5 C[C@@H](Cl)C(=O)O C60901 [1,0,0,0,0,0|1,0,0]=2 93 B5R0.5 C[C@@H](N)C(N)=O A69602 [1,0,0,0,0,0|2,0,0]=3 94 B5R0.5 C[C@@H](O)C(N)=O H68918 [1,0,0,0,0,0|2,0,0]=3 95 B5R0.5 C[C@@H](O)[C@@H](C)O B39957 [1,0,0,0,0,0|2,0,1]=4 96 B5R0.5 C[C@H](N)C(=O)O A39925 [1,0,0,0,0,0|1,0,0]=2 97 B5R0.5 C[C@H](N)C(=O)O A60902 [1,0,0,0,0,0|1,0,0]=2 98 B5R0.5 C[C@H](O)[C@H](C)O B39958 [1,0,0,0,0,0|2,0,1]=4 99 B5R0.5 O=C(O)C(=O)O A69569 [1,0,0,0,0,0|2,0,1]=4 100 B5R0.5 O=C(O)C(=O)O E39942 [1,0,0,0,0,0|2,0,1]=4 101 B7R0.5 C#CC[C@@H](N)C(=O)O A41167 [0,1,0,0,0,0|1,0,1]=3 102 B7R0.5 C#CC[C@@H](N)C(=O)O A41354 [0,1,0,0,0,0|1,0,1]=3 103 B7R0.5 C#CC[C@H](N)C(=O)O A41168 [0,1,0,0,0,0|1,0,1]=3 104 B7R0.5 C#CC[C@H](N)C(=O)O A41353 [0,1,0,0,0,0|1,0,1]=3 105 B7R0.5 C#CC[C@H](N)C(=O)O A41355 [0,1,0,0,0,0|1,0,1]=3 106 B7R0.5 C=CC[C@@H](N)C(=O)O A41371 [0,1,0,0,0,0|1,0,1]=3 107 B7R0.5 C=CC[C@H](N)C(=O)O A68612 [0,1,0,0,0,0|1,0,1]=3 108 B7R0.5 CCC=C(C)C(=O)O M39198 [0,1,0,0,0,0|0,0,1]=2 109 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [0,1,0,0,0,0|1,0,0]=2 110 B7R0.5 CCC[C@H](O)C(=O)O H40390 [0,1,0,0,0,0|1,0,0]=2 111 B7R0.5 CCOC(=O)C(=O)O E36772 [0,1,0,0,0,0|1,0,1]=3 112 B7R0.5 CCOC(=O)C(C)=O E60800 [0,1,0,0,0,0|2,0,1]=4 113 B7R0.5 CCOC(=O)C(N)=O E60589 [0,1,0,0,0,0|2,0,1]=4 114 B7R0.5 CC\C=C(/C)C(=O)O M41462 [0,1,0,0,0,0|0,0,1]=2 115 B7R0.5 COC[C@@H](N)C(=O)O A40353 [0,1,0,0,0,0|1,0,0]=2 116 B7R0.5 COC[C@@H](N)C(=O)O A61058 [0,1,0,0,0,0|1,0,0]=2 117 B7R0.5 COC[C@H](Br)C(=O)O B40233 [0,1,0,0,0,0|1,0,0]=2 118 B7R0.5 COC[C@H](N)C(=O)O A40354 [0,1,0,0,0,0|1,0,0]=2 119 B7R0.5 COC[C@H](N)C(=O)O A67760 [0,1,0,0,0,0|1,0,0]=2 120 B7R0.5 NCC[C@@H](N)C(=O)O D40355 [0,1,0,0,0,0|1,0,0]=2 121 B7R0.5 NCC[C@H](F)C(=O)O A63044 [0,1,0,0,0,0|1,0,0]=2 122 B7R0.5 NCC[C@H](N)C(=O)O D37858 [0,1,0,0,0,0|1,0,0]=2 123 B7R0.5 NCC[C@H](N)C(=O)O D68313 [0,1,0,0,0,0|1,0,0]=2 124 B7R0.5 NCC[C@H](O)C(=O)O A39157 [0,1,0,0,0,0|1,0,0]=2 125 B7R0.5 NOC[C@H](N)C(=O)O A39931 [0,1,0,0,0,0|2,0,0]=3 126 B7R0.5 N[C@@H](CCBr)C(=O)O A37762 [0,1,0,0,0,0|1,0,0]=2 127 B7R0.5 N[C@@H](CCO)C(=O)O A68603 [0,1,0,0,0,0|1,0,0]=2 128 B7R0.5 N[C@@H](CCS)C(=O)O H68345 [0,1,0,0,0,0|1,0,0]=2 129 B7R0.5 N[C@H](CCO)C(=O)O A68363 [0,1,0,0,0,0|1,0,0]=2 130 B7R0.5 N[C@H](CCS)C(=O)O A66150 [0,1,0,0,0,0|1,0,0]=2 131 B7R0.10 C=C(CBr)C(=O)OC M36843 [0,1,0,0,0,0|1,0,2]=4 132 B7R0.10 C=C(CO)C(=O)OC M7022 [0,1,0,0,0,0|1,0,2]=4 133 B7R0.10 CCC(=O)C(=O)CC H41459 [0,1,0,0,0,0|2,0,1]=4 134 B7R0.10 CCC(=O)N(C)OC M40411 [0,1,0,0,0,0|3,0,0]=4 135 B7R0.10 CC[C@@H](N)C(=O)OC M61982 [0,1,0,0,0,0|1,0,0]=2 136 B7R0.10 CC[C@H](Br)C(=O)OC M68973 [0,1,0,0,0,0|1,0,0]=2 137 B7R0.10 CC[C@H](C)[C@H](N)CO K68906 [0,1,0,0,0,0|1,0,1]=3 138 B7R0.10 CC[C@H](N)C(=O)OC M40408 [0,1,0,0,0,0|1,0,0]=2 139 B7R0.10 CC[C@H](N)C(=O)OC M41330 [0,1,0,0,0,0|1,0,0]=2 140 B7R0.10 CC[C@H](N)C(=O)OC M41334 [0,1,0,0,0,0|1,0,0]=2 141 B7R0.10 CN[C@@H](C)C(=O)OC M62351 [0,1,0,0,0,0|1,0,0]=2 142 B7R0.10 COC(=O)C(=O)CBr M2726 [0,1,0,0,0,0|2,0,1]=4 143 B7R0.10 COC(=O)[C@@H](Br)CO M40234 [0,1,0,0,0,0|2,0,0]=3 144 B7R0.10 COC(=O)[C@@H](C)CBr M41268 [0,1,0,0,0,0|1,0,0]=2 145 B7R0.10 COC(=O)[C@@H](C)CO M25480 [0,1,0,0,0,0|1,0,0]=2 146 B7R0.10 COC(=O)[C@@H](Cl)CCl M69066 [0,1,0,0,0,0|2,0,0]=3 147 B7R0.10 COC(=O)[C@@H](F)CO M60918 [0,1,0,0,0,0|2,0,0]=3 148 B7R0.10 COC(=O)[C@@H](N)CO M68693 [0,1,0,0,0,0|2,0,0]=3 149 B7R0.10 COC(=O)[C@@H](N)CO S64541 [0,1,0,0,0,0|2,0,0]=3 150 B7R0.10 COC(=O)[C@@H](O)CN M61501 [0,1,0,0,0,0|2,0,0]=3 151 B7R0.10 COC(=O)[C@@H](O)CO M40259 [0,1,0,0,0,0|2,0,0]=3 152 B7R0.10 COC(=O)[C@H](C)CO M40393 [0,1,0,0,0,0|1,0,0]=2 153 B7R0.10 COC(=O)[C@H](N)CCl M69012 [0,1,0,0,0,0|2,0,0]=3 154 B7R0.10 COC(=O)[C@H](N)CS M69349 [0,1,0,0,0,0|2,0,0]=3 155 B7R0.10 COC(=O)[C@H](O)CO M40258 [0,1,0,0,0,0|2,0,0]=3 156 B7R0.10 CON(C)C(=O)CCl C40248 [0,1,0,0,0,0|3,0,0]=4 157 B7R0.10 NNC(=O)[C@@H](N)CO S39933 [0,1,0,0,0,0|3,0,0]=4 158 B7R0.13 C#CC(C)(C)C(=O)O D24314 [0,1,0,0,0,0|0,0,2]=3 159 B7R0.13 C=CC(C)(C)C(=O)O D37320 [0,1,0,0,0,0|0,0,2]=3 160 B7R0.13 CC(=O)C(C)(C)C#N D9183 [0,1,0,0,0,0|2,0,1]=4 161 B7R0.13 CC(C)(C#N)C(=O)O C62304 [0,1,0,0,0,0|1,0,1]=3 162 B7R0.13 CC(C)(CF)C(=O)O F41272 [0,1,0,0,0,0|1,0,0]=2 163 B7R0.13 CC(C)(CN)C(N)=O A12146 [0,1,0,0,0,0|2,0,0]=3 164 B7R0.13 CC(C)(CO)C(=O)O H68365 [0,1,0,0,0,0|1,0,0]=2 165 B7R0.13 CC[C@@](C)(N)C(=O)O K69340 [0,1,0,0,0,0|0,0,0]=1 166 B7R0.13 CC[C@](C)(N)C(=O)O K68055 [0,1,0,0,0,0|0,0,0]=1 167 B7R0.13 C[C@@](N)(CO)C(=O)O M36868 [0,1,0,0,0,0|1,0,0]=2 168 B7R0.13 C[C@](N)(CO)C(=O)O A32019 [0,1,0,0,0,0|1,0,0]=2 169 B7R0.13 C[C@](O)(CBr)C(=O)O B40235 [0,1,0,0,0,0|1,0,0]=2 170 B7R0.13 NCC(F)(F)C(=O)O A62796 [0,1,0,0,0,0|2,0,0]=3 171 B7R0.13 NCC(F)(F)C(=O)O A67336 [0,1,0,0,0,0|2,0,0]=3 172 B7R0.15 CCC(CC)C(=O)[O-] M43580 [0,1,0,0,0,0|0,0,1]=2 173 B7R0.15 CC[C@@H](CO)C(C)C E43948 [0,1,0,0,0,0|2,0,1]=4 174 B7R0.15 O=C(O)C(CBr)CBr B40213 [0,1,0,0,0,0|1,0,0]=2 175 B7R0.15 O=C(O)C(CS)CS M67176 [0,1,0,0,0,0|1,0,0]=2 176 B7R0.16 CC(C)C(=O)C(=O)[O-] S41304 [0,1,0,0,0,0|1,0,2]=4 177 B7R0.16 CC(C)[C@@H](N)C(=O)O A60652 [0,1,0,0,0,0|1,0,0]=2 178 B7R0.16 CC(C)[C@@H](O)C(=O)O H64151 [0,1,0,0,0,0|1,0,0]=2 179 B7R0.16 CC(C)[C@H](N)C(=N)O V67982 [0,1,0,0,0,0|2,0,0]=3 180 B7R0.16 CC(C)[C@H](O)C(=O)O H40392 [0,1,0,0,0,0|1,0,0]=2 181 B7R0.16 CC(O)C(N)C(=O)O T61081 [0,1,0,0,0,0|1,0,0]=2 182 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O A67434 [0,1,0,0,0,0|1,0,0]=2 183 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O A40309 [0,1,0,0,0,0|2,0,0]=3 184 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O A68604 [0,1,0,0,0,0|1,0,0]=2 185 B7R0.16 O=C(O)C(=O)C(Br)Br D39815 [0,1,0,0,0,0|2,0,1]=4 186 B7R1.4 CN1CCCC1=S M6872 [0,0,0,1,0,0|2,1,0]=4 187 B7R1.4 CN1CCN=C1N M40301 [0,0,0,1,0,0|3,0,0]=4 188 B7R1.4 CN1CCNC1=O M40241 [0,0,0,1,0,0|2,0,0]=3 189 B7R1.4 C[C@@H]1CNC[C@@H]1O M22730 [0,0,0,1,0,0|2,0,1]=4 190 B7R1.4 C[C@@H]1OCCC1=O M41223 [0,0,0,1,0,0|2,0,0]=3 191 B7R1.4 C[C@H]1CCCC1=O M41458 [0,0,0,1,0,0|1,0,0]=2 192 B7R1.4 C[C@H]1CCNC1=O M41257 [0,0,0,1,0,0|1,0,0]=2 193 B7R1.4 C[C@H]1CCOC1=O M41224 [0,0,0,1,0,0|0,0,0]=1 194 B7R1.4 NC1CCCC1O A40401 [0,0,0,1,0,0|2,0,1]=4 195 B7R1.4 NN1CCCC1=O A22230 [0,0,0,1,0,0|3,0,0]=4 196 B7R1.4 N[C@@H]1CCC[C@@H]1O A67556 [0,0,0,1,0,0|2,0,1]=4 197 B7R1.4 N[C@@H]1CCC[C@H]1O A27146 [0,0,0,1,0,0|2,0,1]=4 198 B7R1.4 N[C@@H]1CCC[C@H]1O A40405 [0,0,0,1,0,0|2,0,1]=4 199 B7R1.4 N[C@@H]1CCC[C@H]1O A41326 [0,0,0,1,0,0|2,0,1]=4 200 B7R1.4 N[C@@H]1CCNC1=O A40242 [0,0,0,1,0,0|2,0,0]=3 201 B7R1.4 N[C@@H]1CCNC1=O A62971 [0,0,0,1,0,0|2,0,0]=3 202 B7R1.4 N[C@@H]1CCOC1=O H68344 [0,0,0,1,0,0|1,0,0]=2 203 B7R1.4 N[C@H]1CCC[C@@H]1O A24888 [0,0,0,1,0,0|2,0,1]=4 204 B7R1.4 N[C@H]1CCC[C@H]1O A41327 [0,0,0,1,0,0|2,0,1]=4 205 B7R1.4 N[C@H]1CCNC1=O A24294 [0,0,0,1,0,0|2,0,0]=3 206 B7R1.4 N[C@H]1CCOC1=O A40300 [0,0,0,1,0,0|1,0,0]=2 207 B7R1.4 N[C@H]1CCOC1=O A40335 [0,0,0,1,0,0|1,0,0]=2 208 B7R1.4 O=C1CCC=C1O H41119 [0,0,0,1,0,0|2,0,1]=4 209 B7R1.4 O=C1NCC[C@@H]1O H20173 [0,0,0,1,0,0|2,0,0]=3 210 B7R1.4 O=C1NCC[C@@H]1O H37914 [0,0,0,1,0,0|2,0,0]=3 211 B7R1.4 O=C1NCC[C@H]1O H40227 [0,0,0,1,0,0|2,0,0]=3 212 B7R1.4 O=C1OCC[C@@H]1Br B31114 [0,0,0,1,0,0|1,0,0]=2 213 B7R1.4 O[C@@H]1CCC[C@H]1O C67710 [0,0,0,1,0,0|2,0,1]=4 214 B7R1.8 O=C1CC[C@@H]1CO H13228 [0,0,0,1,0,0|2,0,0]=3 215 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [0,0,0,1,0,0|0,0,0]=1 216 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [0,0,0,1,0,0|0,0,0]=1 217 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [0,0,0,1,0,0|0,0,0]=1 218 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [0,0,0,1,0,0|0,0,0]=1 219 B7R1.12 O=C(O)C1CC1F F20460 [0,0,0,1,0,0|1,0,0]=2 220 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F F8695 [0,0,0,1,0,0|1,0,0]=2 221 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I K67056 [0,0,0,1,0,0|1,0,0]=2 222 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F18516 [0,0,0,1,0,0|1,0,0]=2 223 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F21701 [0,0,0,1,0,0|1,0,0]=2 224 B7R1.12 O=C(O)[C@H]1C[C@@H]1F F21702 [0,0,0,1,0,0|1,0,0]=2 225 B7R1.18 CC(=O)C1CCC1 C22926 [0,0,0,1,0,0|1,0,0]=2 226 B7R1.18 CC(=O)C1CNC1 A18542 [0,0,0,1,0,0|2,0,0]=3 227 B7R1.18 C[C@H](N)C1CCC1 C29990 [0,0,0,1,0,0|2,0,1]=4 228 B7R1.18 N=C(N)C1CCC1 C11379 [0,0,0,1,0,0|2,0,0]=3 229 B7R1.18 NC(=O)C1CCC1 C36760 [0,0,0,1,0,0|1,0,0]=2 230 B7R1.18 NC(=O)C1CNC1 A0189 [0,0,0,1,0,0|2,0,0]=3 231 B7R1.18 NC(=O)C1CNC1 A10232 [0,0,0,1,0,0|2,0,0]=3 232 B7R1.18 O=C(O)C1CCC1 C39184 [0,0,0,1,0,0|0,0,0]=1 233 B7R1.18 O=C(O)C1CNC1 A0022 [0,0,0,1,0,0|1,0,0]=2 234 B7R1.18 O=C(O)C1CNC1 A62344 [0,0,0,1,0,0|1,0,0]=2 235 B7R1.18 O=C(O)[C@@H]1CCN1 A0692 [0,0,0,1,0,0|1,0,0]=2 236 B7R1.18 O=C(O)[C@@H]1CCN1 A0705 [0,0,0,1,0,0|1,0,0]=2 237 B7R1.18 O=C(O)[C@@H]1CCO1 X60210 [0,0,0,1,0,0|1,0,0]=2 238 B7R1.18 O=C(O)[C@@H]1CCO1 X6939 [0,0,0,1,0,0|1,0,0]=2 239 B7R1.18 O=C(O)[C@H]1CCN1 A0706 [0,0,0,1,0,0|1,0,0]=2 240 B7R1.18 O=C(O)[C@H]1CCN1 A40336 [0,0,0,1,0,0|1,0,0]=2 241 B7R1.18 O=C(O)[C@H]1CCO1 X60294 [0,0,0,1,0,0|1,0,0]=2 242 B7R1.18 OB(O)C1CCC1 C38656 [0,0,0,1,0,0|1,0,1]=3 243 B7R1.19 CC1(C(=O)Cl)CC1 M21667 [0,0,0,1,0,0|1,0,0]=2 244 B7R1.19 CC1(C(=O)O)CC1 M10729 [0,0,0,1,0,0|0,0,0]=1 245 B7R1.19 CC1(C(N)=O)CC1 M41258 [0,0,0,1,0,0|1,0,0]=2 246 B7R1.19 NC(=O)C1(N)CC1 A29804 [0,0,0,1,0,0|2,0,0]=3 247 B7R1.19 NC1(C(=O)O)CC1 A7850 [0,0,0,1,0,0|1,0,0]=2 248 B7R1.19 O=C(O)C1(Br)CC1 B40170 [0,0,0,1,0,0|1,0,0]=2 249 B7R1.19 O=C(O)C1(F)CC1 F32122 [0,0,0,1,0,0|1,0,0]=2 250 B7R1.19 O=C(O)C1(O)CC1 H13746 [0,0,0,1,0,0|1,0,0]=2 251 B7R1.27 CC[C@]1(C)ON1C E65451 [0,0,0,1,0,0|2,0,0]=3 252 B7R0.2 CCC(=O)CC(C)=O H69646 [0,0,0,0,0,1|2,0,1]=4 253 B7R0.2 CCC(=O)OC(C)=O A41227 [0,0,0,0,0,1|2,0,1]=4 254 B7R0.2 CC[C@H](C)CC(=O)O M41552 [0,0,0,0,0,1|0,0,0]=1 255 B7R0.2 CC[C@H](N)CC(=O)O A69512 [0,0,0,0,0,1|1,0,0]=2 256 B7R0.2 COC(=O)CC(=O)O M37882 [0,0,0,0,0,1|2,0,1]=4 257 B7R0.2 NC[C@@H](O)CC(=O)O A32052 [0,0,0,0,0,1|2,0,0]=3 258 B7R0.2 NC[C@H](O)CC(=O)O A67723 [0,0,0,0,0,1|2,0,0]=3 259 B7R0.2 N[C@@H](CO)CC(=O)O A38154 [0,0,0,0,0,1|2,0,0]=3 260 B4R0.1 C#C[C@@H](C)O B62970 [2,0,0,0,0,0|0,0,2]=4 261 B4R0.1 C#C[C@H](C)O B40212 [2,0,0,0,0,0|0,0,2]=4 262 B4R0.1 CC(=O)CN A38843 [2,0,0,0,0,0|1,0,1]=4 263 B4R0.1 CC(=O)CO H60801 [2,0,0,0,0,0|1,0,1]=4 264 B4R0.1 CC(C)=CBr B2881 [2,0,0,0,0,0|1,0,1]=4 265 B4R0.1 CC(C)NN P67395 [2,0,0,0,0,0|2,0,0]=4 266 B4R0.1 CC(C)NO P39934 [2,0,0,0,0,0|1,0,0]=3 267 B4R0.1 CC(C)ON P39935 [2,0,0,0,0,0|2,0,0]=4 268 B4R0.1 CCB(O)O E3108 [2,0,0,0,0,0|1,0,1]=4 269 B4R0.1 CCC(=N)N P39882 [2,0,0,0,0,0|2,0,0]=4 270 B4R0.1 CCC(=N)N P39927 [2,0,0,0,0,0|2,0,0]=4 271 B4R0.1 CCC(N)=O P68920 [2,0,0,0,0,0|1,0,0]=3 272 B4R0.1 CC[C@H](C)N B62608 [2,0,0,0,0,0|1,0,0]=3 273 B4R0.1 CC[S@](=O)[O-] S39781 [2,0,0,0,0,0|1,0,1]=4 274 B4R0.1 C[C@@H](Cl)CO C39879 [2,0,0,0,0,0|1,0,1]=4 275 B4R0.1 C[C@@H](N)CN D39937 [2,0,0,0,0,0|2,0,0]=4 276 B4R0.1 C[C@@H](N)CO A13415 [2,0,0,0,0,0|1,0,1]=4 277 B4R0.1 C[C@@H](O)CCl C67728 [2,0,0,0,0,0|1,0,0]=3 278 B4R0.1 C[C@@H](O)CN A67482 [2,0,0,0,0,0|1,0,0]=3 279 B4R0.1 C[C@H](Br)CN B39885 [2,0,0,0,0,0|2,0,0]=4 280 B4R0.1 C[C@H](Cl)CO C39880 [2,0,0,0,0,0|1,0,1]=4 281 B4R0.1 C[C@H](N)CF F62811 [2,0,0,0,0,0|2,0,0]=4 282 B4R0.1 C[C@H](N)CN P39936 [2,0,0,0,0,0|2,0,0]=4 283 B4R0.1 C[C@H](N)CO A13416 [2,0,0,0,0,0|1,0,1]=4 284 B4R0.1 C[C@H](N)CO A69136 [2,0,0,0,0,0|1,0,1]=4 285 B4R0.1 C[C@H](O)CN A69178 [2,0,0,0,0,0|1,0,0]=3 286 B4R0.1 C[C@H](O)CO P60705 [2,0,0,0,0,0|1,0,0]=3 287 B4R0.1 NC(=O)CBr B39771 [2,0,0,0,0,0|2,0,0]=4 288 B4R0.1 NC(=O)CI K60849 [2,0,0,0,0,0|2,0,0]=4 289 B4R0.1 NC(=O)CO H68919 [2,0,0,0,0,0|2,0,0]=4 290 B4R0.1 NCC(N)=O G69255 [2,0,0,0,0,0|2,0,0]=4 291 B4R0.2 C=CCCN B21913 [2,0,0,0,0,0|2,0,0]=4 292 B4R0.2 C=CCCO B40252 [2,0,0,0,0,0|2,0,0]=4 293 B4R0.2 CCCNN P39906 [2,0,0,0,0,0|2,0,0]=4 294 B4R0.2 NCCCO A69322 [2,0,0,0,0,0|1,0,1]=4 295 B4R0.2 OCCCBr B39137 [2,0,0,0,0,0|1,0,1]=4 296 B4R0.2 OCCCO P69117 [2,0,0,0,0,0|1,0,1]=4 297 B6R0.1 C#CCC(=O)OC M41116 [1,1,0,0,0,0|0,0,2]=4 298 B6R0.1 CC#CC(=O)OC M62298 [1,1,0,0,0,0|0,0,2]=4 299 B6R0.1 CCC[C@H](N)CO A40443 [1,1,0,0,0,0|1,0,1]=4 300 B6R0.1 CCC[C@H](N)CO A66421 [1,1,0,0,0,0|1,0,1]=4 301 B6R0.1 CCOC(=O)C#N E15572 [1,1,0,0,0,0|2,0,0]=4 302 B6R0.1 CCOC(=O)CN G69291 [1,1,0,0,0,0|2,0,0]=4 303 B6R0.1 CCOC(=O)CO E37817 [1,1,0,0,0,0|1,0,0]=3 304 B6R0.1 CCOC(=O)NN E39139 [1,1,0,0,0,0|2,0,0]=4 305 B6R0.1 CCOC(=O)OC E40254 [1,1,0,0,0,0|1,0,0]=3 306 B6R0.1 CCO\C(C)=N\O E68624 [1,1,0,0,0,0|2,0,0]=4 307 B6R0.1 CNC(=O)CCN A40306 [1,1,0,0,0,0|2,0,0]=4 308 B6R0.1 COC(=O)CC#N M68915 [1,1,0,0,0,0|1,0,1]=4 309 B6R0.1 COC(=O)CCBr M39155 [1,1,0,0,0,0|1,0,0]=3 310 B6R0.1 COC(=O)CCN M67902 [1,1,0,0,0,0|1,0,0]=3 311 B6R0.1 COC(=O)CCO M24551 [1,1,0,0,0,0|1,0,0]=3 312 B6R0.1 COC(=O)OCCl C62332 [1,1,0,0,0,0|2,0,0]=4 313 B6R0.1 COCC(=O)NN M39884 [1,1,0,0,0,0|2,0,0]=4 314 B6R0.2 CC(=O)NC(C)C P40402 [1,1,0,0,0,0|2,0,0]=4 315 B6R0.2 CC(=O)O[C@H](C)Br B40231 [1,1,0,0,0,0|2,0,0]=4 316 B6R0.2 CC(C)CB(O)O M4460 [1,1,0,0,0,0|1,0,1]=4 317 B6R0.2 CN(C)CC(=O)Cl D40251 [1,1,0,0,0,0|2,0,0]=4 318 B6R0.2 C[C@@H](N)CC(=O)O A37837 [1,1,0,0,0,0|0,0,0]=2 319 B6R0.2 C[C@@H](N)CC(=O)O A40348 [1,1,0,0,0,0|0,0,0]=2 320 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [1,1,0,0,0,0|0,0,1]=3 321 B6R0.2 C[C@@H](O)C[C@@H](C)O P40432 [1,1,0,0,0,0|1,0,1]=4 322 B6R0.2 C[C@H](N)CC(=O)O A40265 [1,1,0,0,0,0|0,0,0]=2 323 B6R0.2 C[C@H](O)CC(=O)O H38871 [1,1,0,0,0,0|0,0,0]=2 324 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [1,1,0,0,0,0|0,0,1]=3 325 B6R0.2 C[C@H](O)C[C@H](C)O P40433 [1,1,0,0,0,0|1,0,1]=4 326 B6R0.4 C#CCCC(=O)O P68088 [1,1,0,0,0,0|0,0,1]=3 327 B6R0.4 C=CCCC(=O)O P37823 [1,1,0,0,0,0|0,0,1]=3 328 B6R0.4 C=CCCC(N)=O P5022 [1,1,0,0,0,0|1,0,1]=4 329 B6R0.4 CC(=O)CCCCl C68599 [1,1,0,0,0,0|1,0,0]=3 330 B6R0.4 CC(=O)NCCN A68626 [1,1,0,0,0,0|2,0,0]=4 331 B6R0.4 CC(=O)NCCO H68625 [1,1,0,0,0,0|2,0,0]=4 332 B6R0.4 CC(=O)OCCBr B67892 [1,1,0,0,0,0|2,0,0]=4 333 B6R0.4 CCCCC(=N)N P41343 [1,1,0,0,0,0|2,0,0]=4 334 B6R0.4 CCCCC(=O)[O-] S38573 [1,1,0,0,0,0|0,0,1]=3 335 B6R0.4 CCCOC(N)=O P40264 [1,1,0,0,0,0|1,0,0]=3 336 B6R0.4 CNCCC(=O)O M40350 [1,1,0,0,0,0|0,0,0]=2 337 B6R0.4 COCCC(=O)O M40255 [1,1,0,0,0,0|0,0,0]=2 338 B6R0.4 N#CCCC(=O)O C69146 [1,1,0,0,0,0|0,0,1]=3 339 B6R0.4 NCCCC(N)=O A40304 [1,1,0,0,0,0|1,0,0]=3 340 B6R0.4 O=C(O)CCCBr B39154 [1,1,0,0,0,0|0,0,0]=2 341 B6R0.4 O=C(O)CCCCl C40232 [1,1,0,0,0,0|0,0,0]=2 342 B6R0.4 O=C(O)\C=C\CBr B37272 [1,1,0,0,0,0|0,0,2]=4 343 B6R0.5 CCCS(N)(=O)=O P39891 [1,1,0,0,0,0|1,0,1]=4 344 B6R0.5 O=P(O)(O)CCBr B39783 [1,1,0,0,0,0|2,0,0]=4 345 B6R0.5 O=S(=O)(O)CCO H69249 [1,1,0,0,0,0|2,0,0]=4 346 B6R0.8 C#C[C@@](C)(N)CC M43435 [1,1,0,0,0,0|1,0,1]=4 347 B6R0.8 CC(C)(CO)CCl C40423 [1,1,0,0,0,0|1,0,1]=4 348 B6R0.8 CC[C@](C)(N)C#N A40368 [1,1,0,0,0,0|1,0,1]=4 349 B6R0.8 CNC(C)(C)CO M40446 [1,1,0,0,0,0|1,0,1]=4 350 B6R0.8 O=CC(Br)(Br)CBr T32084 [1,1,0,0,0,0|2,0,0]=4 351 B6R0.9 CCC(CC)C[Mg+] E31704 [1,1,0,0,0,0|1,0,1]=4 352 B6R0.9 CCN(C=O)CC D68184 [1,1,0,0,0,0|1,0,0]=3 353 B6R0.9 COC(C=O)OC D38564 [1,1,0,0,0,0|1,0,0]=3 354 B6R0.9 OCC(CO)CO H36774 [1,1,0,0,0,0|1,0,1]=4 355 B6R0.7 CC(C)(Br)C(N)=O B38472 [1,1,0,0,0,0|1,0,0]=3 356 B6R0.7 CC(C)(C)C(=N)N P41342 [1,1,0,0,0,0|2,0,0]=4 357 B6R0.7 CC(C)(C)C(=O)[O-] P36605 [1,1,0,0,0,0|0,0,1]=3 358 B6R0.7 CC(C)(C)C(=O)[O-] S41305 [1,1,0,0,0,0|0,0,1]=3 359 B6R0.7 CC(C)(C)C(N)=O T40403 [1,1,0,0,0,0|1,0,0]=3 360 B6R0.7 CC(C)(C)C(N)=S D40417 [1,1,0,0,0,0|1,1,0]=4 361 B6R0.7 CC(C)(C)[S@@](N)=O B8185 [1,1,0,0,0,0|2,0,0]=4 362 B6R0.7 CC(C)(C)[S@@](N)=O M29758 [1,1,0,0,0,0|2,0,0]=4 363 B6R0.7 CC(C)(F)C(=O)O F60900 [1,1,0,0,0,0|0,0,0]=2 364 B6R0.7 CC(C)(O)C(N)=O H40266 [1,1,0,0,0,0|1,0,0]=3 365 B6R0.7 CC(C)S(N)(=O)=O P39892 [1,1,0,0,0,0|1,0,1]=4 366 B6R0.7 CC(F)(F)C(=O)O D39849 [1,1,0,0,0,0|1,0,0]=3 367 B6R0.7 O=C(O)C(F)(F)Br B39790 [1,1,0,0,0,0|2,0,0]=4 368 B6R0.7 O=C(O)C(F)(F)F E20763 [1,1,0,0,0,0|2,0,0]=4 369 B6R0.7 O=C(O)C(F)(F)F F60389 [1,1,0,0,0,0|2,0,0]=4 370 B6R0.7 O=C(O)C(F)(F)F F60468 [1,1,0,0,0,0|2,0,0]=4 371 B6R0.7 O=C(O)C(F)(F)F M20739 [1,1,0,0,0,0|2,0,0]=4 372 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O A61564 [0,1,0,0,0,1|1,0,0]=3 373 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O A68038 [0,1,0,0,0,1|1,0,0]=3 374 B8R0.5 C=CC[C@@H](N)CC(=O)O A43439 [0,1,0,0,0,1|1,0,1]=4 375 B8R0.5 CCC[C@H](N)CC(=O)O A43488 [0,1,0,0,0,1|1,0,0]=3 376 B8R0.5 CCC\C(C)=C\C(=O)O M62391 [0,1,0,0,0,1|0,0,1]=3 377 B8R0.16 CCN(CC)CC(=O)[O-] S60805 [0,1,0,0,0,1|1,0,1]=4 378 B8R0.16 COC(CC(C)=O)OC D39203 [0,1,0,0,0,1|2,0,0]=4 379 B8R0.19 CCC(=O)CC(=O)OC M39036 [0,1,0,0,0,1|1,0,1]=4 380 B8R0.19 CC[C@H](N)CC(=O)OC M43495 [0,1,0,0,0,1|1,0,0]=3 381 B8R0.19 CNC(C)=CC(=O)OC M41506 [0,1,0,0,0,1|1,0,1]=4 382 B8R0.19 COC(=O)C[C@@H](O)CCl M41276 [0,1,0,0,0,1|2,0,0]=4 383 B8R0.19 COC(=O)\C=C(/C)OC M5601 [0,1,0,0,0,1|1,0,1]=4 384 B8R0.23 CC(C)[C@@H](N)CC(=O)O A67729 [0,1,0,0,0,1|1,0,0]=3 385 B8R0.23 CC(C)[C@H](N)CC(=O)O A38977 [0,1,0,0,0,1|1,0,0]=3 386 B8R0.23 CC(C)[C@H](N)CC(=O)O A43501 [0,1,0,0,0,1|1,0,0]=3 387 B8R0.23 C[C@@H](CC(=O)O)C(=O)O M41232 [0,1,0,0,0,1|1,0,1]=4 388 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O A41340 [0,1,0,0,0,1|1,0,0]=3 389 B8R0.24 CC[C@H](C)OS(C)(=O)=O M20605 [0,1,0,0,0,1|1,0,1]=4 390 B8R0.34 CC(C)(CN)CC(=O)O A60787 [0,1,0,0,0,1|1,0,0]=3 391 B8R0.34 CC(C)(CN)CC(=O)O A67050 [0,1,0,0,0,1|1,0,0]=3 392 B8R0.3 C=CC[C@H](N)C(=O)OC M37082 [0,2,0,0,0,0|1,0,1]=4 393 B8R0.3 CCC[C@@H](N)C(=O)OC M66692 [0,2,0,0,0,0|1,0,0]=3 394 B8R0.3 CCC[C@H](N)C(=O)OC M43489 [0,2,0,0,0,0|1,0,0]=3 395 B8R0.3 CCN[C@@H](C)C(=O)OC M32327 [0,2,0,0,0,0|0,0,0]=2 396 B8R0.3 CCOC(=O)C(=O)CC E67705 [0,2,0,0,0,0|1,0,1]=4 397 B8R0.3 CCOC(=O)[C@@H](Br)CBr E39185 [0,2,0,0,0,0|2,0,0]=4 398 B8R0.3 CCOC(=O)[C@@H](C)CC E43888 [0,2,0,0,0,0|0,0,0]=2 399 B8R0.3 CCOC(=O)[C@@H](N)CC E43491 [0,2,0,0,0,0|1,0,0]=3 400 B8R0.3 CCOC(=O)[C@@H](N)CO E69027 [0,2,0,0,0,0|2,0,0]=4 401 B8R0.3 CCOC(=O)[C@@H](N)CO S41337 [0,2,0,0,0,0|2,0,0]=4 402 B8R0.3 CCOC(=O)[C@@H](N)CS C64730 [0,2,0,0,0,0|2,0,0]=4 403 B8R0.3 CCOC(=O)[C@H](C)C#N E43380 [0,2,0,0,0,0|1,0,1]=4 404 B8R0.3 CCOC(=O)[C@H](N)CO E69611 [0,2,0,0,0,0|2,0,0]=4 405 B8R0.3 COC[C@@H](N)C(=O)OC M38225 [0,2,0,0,0,0|1,0,0]=3 406 B8R0.8 C=CCC[C@H](N)C(=O)O A41502 [0,2,0,0,0,0|1,0,0]=3 407 B8R0.8 CC#CC[C@H](N)C(=O)O A32035 [0,2,0,0,0,0|1,0,0]=3 408 B8R0.8 CCCC[C@H](N)C(=O)O A68582 [0,2,0,0,0,0|1,0,0]=3 409 B8R0.8 CSCCC(O)C(=O)[O-] C54080 [0,2,0,0,0,0|1,0,1]=4 410 B8R0.8 CSCC[C@H](N)C(=O)O M60616 [0,2,0,0,0,0|1,0,0]=3 411 B8R0.12 C=CCC(C)(C)C(=O)O D38170 [0,2,0,0,0,0|0,0,1]=3 412 B8R0.12 C=CCC(F)(F)C(=O)O D68045 [0,2,0,0,0,0|1,0,1]=4 413 B8R0.13 COC(=O)C(C)(C)C#N M43383 [0,2,0,0,0,0|1,0,1]=4 414 B8R0.13 COC(=O)C(C)(C)C=O M41471 [0,2,0,0,0,0|1,0,1]=4 415 B8R0.13 COC(=O)C(C)(C)CN M43502 [0,2,0,0,0,0|1,0,0]=3 416 B8R0.13 COC(=O)C(C)(C)CO M39204 [0,2,0,0,0,0|1,0,0]=3 417 B8R0.20 COC(=O)C(CN)CN M41391 [0,2,0,0,0,0|1,0,0]=3 418 B8R0.20 COC(=O)C(OC)OC M40396 [0,2,0,0,0,0|1,0,0]=3 419 B8R0.36 CCC(N)(CC)C(=O)O A67712 [0,2,0,0,0,0|0,0,0]=2 420 B8R0.36 COC(C)(OC)C(C)=O D41555 [0,2,0,0,0,0|2,0,0]=4 421 B8R0.37 C=C(Cl)C(C)(C)C(=O)O C65037 [0,2,0,0,0,0|0,0,2]=4 422 B8R0.37 CC(C)(C(=O)O)C(=O)O D67941 [0,2,0,0,0,0|1,0,1]=4 423 B8R0.37 CC(C)[C@@](C)(N)C(=O)O A41587 [0,2,0,0,0,0|0,0,0]=2 424 B8R0.37 CC(C)[C@](C)(N)C(=O)O A24143 [0,2,0,0,0,0|0,0,0]=2 425 B8R0.37 CC(C)[C@](C)(N)C(N)=O A39208 [0,2,0,0,0,0|1,0,0]=3 426 B8R0.27 CC(C)(C)C(=O)C(=O)O D41469 [0,2,0,0,0,0|1,0,1]=4 427 B8R0.27 CC(C)(C)[C@H](N)C(=O)O A22282 [0,2,0,0,0,0|1,0,0]=3 428 B8R0.27 CC(C)(C)[C@H](N)C(=O)O A67484 [0,2,0,0,0,0|1,0,0]=3 429 B8R0.27 CC(C)(C)[C@H](N)C(N)=O A43510 [0,2,0,0,0,0|2,0,0]=4 430 B8R0.27 CC(C)(C)[C@H](O)C(=O)O H41560 [0,2,0,0,0,0|1,0,0]=3 431 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O A40416 [0,2,0,0,0,0|1,0,0]=3 432 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O A24088 [0,2,0,0,0,0|1,0,0]=3 433 B8R0.27 CC(C)(S)[C@H](N)C(=O)O A69092 [0,2,0,0,0,0|1,0,0]=3 434 B8R0.27 C[C@H](C(=O)O)C(F)(F)F T40172 [0,2,0,0,0,0|1,0,0]=3 435 B8R0.18 CC(C)[C@@H](CN)C(=O)O A41589 [0,2,0,0,0,0|0,0,0]=2 436 B8R0.18 CC(C)[C@H](CN)C(=O)O A41588 [0,2,0,0,0,0|0,0,0]=2 437 B8R0.18 CN[C@H](C(=O)O)C(C)C M60653 [0,2,0,0,0,0|0,0,0]=2 438 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O M68349 [0,2,0,0,0,0|0,0,0]=2 439 B6R1.2 CC1=NCCC1 M41239 [1,0,0,1,0,0|2,0,0]=4 440 B6R1.2 NC1=NCCC1 D38561 [1,0,0,1,0,0|2,0,0]=4 441 B6R1.2 O=C1C=CCC1 C26583 [1,0,0,1,0,0|1,0,1]=4 442 B6R1.2 O=C1C=CCO1 F5673 [1,0,0,1,0,0|0,0,2]=4 443 B6R1.2 O=C1CCNC1 P0198 [1,0,0,1,0,0|2,0,0]=4 444 B6R1.2 O=C1CCNN1 P39917 [1,0,0,1,0,0|2,0,0]=4 445 B6R1.2 O=C1CCOC1 X0391 [1,0,0,1,0,0|2,0,0]=4 446 B6R1.2 O=C1CCSC1 D10906 [1,0,0,1,0,0|2,0,0]=4 447 B6R1.2 O=C1NCCN1 K62398 [1,0,0,1,0,0|2,0,0]=4 448 B6R1.2 O=C1NCCS1 T39859 [1,0,0,1,0,0|1,1,0]=4 449 B6R1.5 CC1CC(=O)C1 M17286 [1,0,0,1,0,0|1,0,0]=3 450 B6R1.5 NC1CC(=O)C1 A0660 [1,0,0,1,0,0|2,0,0]=4 451 B6R1.5 O=C1CC(Br)C1 B8012 [1,0,0,1,0,0|2,0,0]=4 452 B6R1.5 O=C1CC(F)C1 F13109 [1,0,0,1,0,0|2,0,0]=4 453 B6R1.5 O=C1CC(O)C1 H10121 [1,0,0,1,0,0|2,0,0]=4 454 B6R1.10 O=S1(=O)CCC1 T5974 [1,0,0,1,0,0|1,0,1]=4 455 B6R1.11 N=C(N)C1CC1 C1448 [1,0,0,1,0,0|2,0,0]=4 456 B6R1.11 O=C(O)C1CC1 C69104 [1,0,0,1,0,0|0,0,0]=2 457 B6R1.11 OB(O)C1CC1 C2414 [1,0,0,1,0,0|1,0,1]=4 458 B6R1.4 C[C@@H]1NC[C@@H]1O M60046 [1,0,0,1,0,0|1,0,1]=4 459 B6R1.4 C[C@@H]1OCC1=O M61882 [1,0,0,1,0,0|1,0,0]=3 460 B6R1.4 C[C@H]1COC1=O M6342 [1,0,0,1,0,0|1,0,0]=3 461 B6R1.4 N[C@@H]1CNC1=O A60450 [1,0,0,1,0,0|2,0,0]=4 462 B6R1.4 N[C@H]1CNC1=O A39918 [1,0,0,1,0,0|2,0,0]=4 463 B6R1.6 BrCC1COC1 B19169 [1,0,0,1,0,0|1,0,1]=4 464 B6R1.6 CNC1COC1 M5690 [1,0,0,1,0,0|1,0,1]=4 465 B6R1.6 ICC1CCC1 I29708 [1,0,0,1,0,0|1,0,1]=4 466 B6R1.6 ICC1COC1 I6937 [1,0,0,1,0,0|1,0,1]=4 467 B6R1.6 N#CC1CCC1 C5653 [1,0,0,1,0,0|1,0,1]=4 468 B6R1.6 NCC1CCC1 C0310 [1,0,0,1,0,0|1,0,1]=4 469 B6R1.6 NCC1CCC1 C1144 [1,0,0,1,0,0|1,0,1]=4 470 B6R1.6 NCC1COC1 O5691 [1,0,0,1,0,0|1,0,1]=4 471 B6R1.6 NNC1CCC1 C37776 [1,0,0,1,0,0|2,0,0]=4 472 B6R1.6 OCC1CCC1 C67424 [1,0,0,1,0,0|0,0,1]=3 473 B6R1.6 OCC1CNC1 A5874 [1,0,0,1,0,0|1,0,1]=4 474 B6R1.6 OCC1CNC1 H12177 [1,0,0,1,0,0|1,0,1]=4 475 B6R1.6 OCC1COC1 X6263 [1,0,0,1,0,0|1,0,1]=4 476 B6R1.6 OCC1CSC1 T20107 [1,0,0,1,0,0|1,0,1]=4 477 B6R1.6 OC[C@@H]1CCN1 A11256 [1,0,0,1,0,0|1,0,1]=4 478 B6R1.6 OC[C@H]1CCN1 A11255 [1,0,0,1,0,0|1,0,1]=4 479 B6R1.6 OC[C@H]1CCN1 A11257 [1,0,0,1,0,0|1,0,1]=4 480 B6R1.6 OC[C@H]1CCO1 X6188 [1,0,0,1,0,0|1,0,1]=4 481 B6R1.6 [Mg+]CC1CCC1 C5036 [1,0,0,1,0,0|1,0,1]=4 482 B6R1.7 CC1(CN)CC1 M41319 [1,0,0,1,0,0|1,0,1]=4 483 B6R1.7 CC1(CO)CC1 M29792 [1,0,0,1,0,0|0,0,1]=3 484 B6R1.7 C[C@]1(CCl)CO1 C62803 [1,0,0,1,0,0|1,0,1]=4 485 B6R1.7 NC1(CO)CC1 A1400 [1,0,0,1,0,0|1,0,1]=4 486 B6R1.7 NC1(CO)CC1 A16823 [1,0,0,1,0,0|1,0,1]=4 487 B8R1.1 C=C[C@@H]1COC(=O)C1 V64256 [0,0,0,1,0,1|0,0,2]=4 488 B8R1.1 C=C[C@@H]1COC(=O)C1 V64417 [0,0,0,1,0,1|0,0,2]=4 489 B8R1.1 NC[C@@H]1CCC(=O)N1 A19938 [0,0,0,1,0,1|2,0,0]=4 490 B8R1.1 NC[C@@H]1CNC(=O)C1 A15732 [0,0,0,1,0,1|2,0,0]=4 491 B8R1.1 NC[C@@H]1CNC(=O)C1 A27672 [0,0,0,1,0,1|2,0,0]=4 492 B8R1.1 NC[C@@H]1CNC(=O)C1 A7263 [0,0,0,1,0,1|2,0,0]=4 493 B8R1.1 NC[C@@H]1CNC(=O)O1 A27512 [0,0,0,1,0,1|2,0,0]=4 494 B8R1.1 NC[C@H]1CCC(=O)N1 A64040 [0,0,0,1,0,1|2,0,0]=4 495 B8R1.1 NC[C@H]1CNC(=O)C1 A18478 [0,0,0,1,0,1|2,0,0]=4 496 B8R1.1 NC[C@H]1CNC(=O)C1 A27671 [0,0,0,1,0,1|2,0,0]=4 497 B8R1.1 NC[C@H]1CNC(=O)O1 A10733 [0,0,0,1,0,1|2,0,0]=4 498 B8R1.1 NC[C@H]1CNC(=O)O1 A21197 [0,0,0,1,0,1|2,0,0]=4 499 B8R1.1 NC[C@H]1COC(=O)N1 A13336 [0,0,0,1,0,1|1,0,0]=3 500 B8R1.1 O=C1C=C(CBr)CO1 B31582 [0,0,0,1,0,1|1,0,1]=4 501 B8R1.1 O=C1C=C(CI)CO1 I6261 [0,0,0,1,0,1|1,0,1]=4 502 B8R1.1 O=C1C=C(CO)CO1 H1535 [0,0,0,1,0,1|1,0,1]=4 503 B8R1.1 O=C1CC[C@@H](CBr)N1 B41220 [0,0,0,1,0,1|2,0,0]=4 504 B8R1.1 O=C1CC[C@@H](CO)N1 H21817 [0,0,0,1,0,1|2,0,0]=4 505 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [0,0,0,1,0,1|2,0,0]=4 506 B8R1.1 O=C1CC[C@H](CBr)N1 B32099 [0,0,0,1,0,1|2,0,0]=4 507 B8R1.1 O=C1CC[C@H](CBr)O1 B66357 [0,0,0,1,0,1|2,0,0]=4 508 B8R1.1 O=C1CC[C@H](CI)N1 I2851 [0,0,0,1,0,1|2,0,0]=4 509 B8R1.1 O=C1CC[C@H](CI)O1 I2850 [0,0,0,1,0,1|2,0,0]=4 510 B8R1.1 O=C1CC[C@H](CO)N1 H24798 [0,0,0,1,0,1|2,0,0]=4 511 B8R1.1 O=C1CC[C@H](CO)N1 H7102 [0,0,0,1,0,1|2,0,0]=4 512 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [0,0,0,1,0,1|2,0,0]=4 513 B8R1.1 O=C1C[C@H](CO)CN1 H14660 [0,0,0,1,0,1|2,0,0]=4 514 B8R1.1 O=C1NC[C@@H](CCl)O1 C40210 [0,0,0,1,0,1|2,0,0]=4 515 B8R1.1 O=C1NC[C@@H](CO)O1 H26969 [0,0,0,1,0,1|2,0,0]=4 516 B8R1.1 O=C1NC[C@H](CO)O1 H25217 [0,0,0,1,0,1|2,0,0]=4 517 B8R1.1 O=C1N[C@@H](CI)CO1 K40211 [0,0,0,1,0,1|1,0,0]=3 518 B8R1.1 O=C1N[C@@H](CO)CO1 H62331 [0,0,0,1,0,1|1,0,0]=3 519 B8R1.4 CN1CCCC(=O)C1 M13651 [0,0,0,1,0,1|2,0,0]=4 520 B8R1.4 CN1CCNC(=O)C1 M6975 [0,0,0,1,0,1|2,0,0]=4 521 B8R1.4 CN1CCOC(=O)C1 M41260 [0,0,0,1,0,1|1,0,0]=3 522 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [0,0,0,1,0,1|2,0,0]=4 523 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [0,0,0,1,0,1|2,0,0]=4 524 B8R1.4 C[C@@H]1CNCC(=O)N1 M13313 [0,0,0,1,0,1|2,0,0]=4 525 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [0,0,0,1,0,1|2,0,0]=4 526 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [0,0,0,1,0,1|2,0,0]=4 527 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [0,0,0,1,0,1|2,0,0]=4 528 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [0,0,0,1,0,1|2,0,0]=4 529 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [0,0,0,1,0,1|2,0,0]=4 530 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [0,0,0,1,0,1|2,0,0]=4 531 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [0,0,0,1,0,1|1,0,0]=3 532 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [0,0,0,1,0,1|1,0,0]=3 533 B8R1.4 C[C@H]1CNCC(=O)N1 M11164 [0,0,0,1,0,1|2,0,0]=4 534 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [0,0,0,1,0,1|2,0,0]=4 535 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [0,0,0,1,0,1|2,0,0]=4 536 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [0,0,0,1,0,1|2,0,0]=4 537 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [0,0,0,1,0,1|2,0,0]=4 538 B8R1.18 CC1=C(C)OC(=O)O1 D39178 [0,0,0,1,0,1|0,0,2]=4 539 B8R1.18 CC1=CC(=O)C[C@@H]1C D43712 [0,0,0,1,0,1|1,0,1]=4 540 B8R1.18 CC1=CC(=O)O[C@@H]1O H32216 [0,0,0,1,0,1|1,0,1]=4 541 B8R1.18 C[C@@H]1NC(=O)OC1=O M40162 [0,0,0,1,0,1|1,0,1]=4 542 B8R1.18 C[C@H]1CC(=O)OC1=O M41122 [0,0,0,1,0,1|1,0,1]=4 543 B8R1.31 CC1NCC1C(=O)O M27890 [0,0,0,1,0,1|1,0,0]=3 544 B8R1.31 CN1CC[C@@H]1C(=O)O M22677 [0,0,0,1,0,1|1,0,0]=3 545 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O A30118 [0,0,0,1,0,1|1,0,0]=3 546 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O A13712 [0,0,0,1,0,1|1,0,0]=3 547 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O A13711 [0,0,0,1,0,1|1,0,0]=3 548 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O A13334 [0,0,0,1,0,1|1,0,0]=3 549 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A13518 [0,0,0,1,0,1|1,0,0]=3 550 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A29882 [0,0,0,1,0,1|1,0,0]=3 551 B8R1.31 O=C(O)C1CCC1F F59749 [0,0,0,1,0,1|1,0,0]=3 552 B8R1.34 CC(=O)NC1CNC1 A1331 [0,0,0,1,0,1|2,0,0]=4 553 B8R1.34 CC(=O)OC1CNC1 A41259 [0,0,0,1,0,1|2,0,0]=4 554 B8R1.34 CC(=O)OC1CNC1 A43595 [0,0,0,1,0,1|2,0,0]=4 555 B8R1.34 CC(=O)SC1CNC1 T12525 [0,0,0,1,0,1|2,0,0]=4 556 B8R1.34 O=C(O)C=C1CCC1 C10691 [0,0,0,1,0,1|0,0,1]=3 557 B8R1.34 O=C(O)CC1CCC1 C24745 [0,0,0,1,0,1|0,0,0]=2 558 B8R1.34 O=C(O)CC1CNC1 A10213 [0,0,0,1,0,1|1,0,0]=3 559 B8R1.34 O=C(O)CC1COC1 X6649 [0,0,0,1,0,1|1,0,0]=3 560 B8R1.43 N#CC1CC1C(=O)O C24298 [0,0,0,1,0,1|1,0,1]=4 561 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O C23494 [0,0,0,1,0,1|1,0,1]=4 562 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O C25179 [0,0,0,1,0,1|1,0,1]=4 563 B8R1.62 CC1(CO)CC(=O)C1 H20258 [0,0,0,1,0,1|2,0,0]=4 564 B8R1.5 CC1CCNCC1O H11697 [0,1,0,1,0,0|1,0,1]=4 565 B8R1.5 CC1CCNCC1O H11698 [0,1,0,1,0,0|1,0,1]=4 566 B8R1.5 CC1CNCCC1O M17031 [0,1,0,1,0,0|1,0,1]=4 567 B8R1.5 CC1CNCCC1O M41575 [0,1,0,1,0,0|1,0,1]=4 568 B8R1.5 CN1CCNCC1=O M12652 [0,1,0,1,0,0|2,0,0]=4 569 B8R1.5 CN1CCNCC1=O M4395 [0,1,0,1,0,0|2,0,0]=4 570 B8R1.5 C[C@@H]1CCNC[C@@H]1O H14889 [0,1,0,1,0,0|1,0,1]=4 571 B8R1.5 C[C@@H]1CCNC[C@H]1O H11699 [0,1,0,1,0,0|1,0,1]=4 572 B8R1.5 C[C@@H]1CCNC[C@H]1O H14888 [0,1,0,1,0,0|1,0,1]=4 573 B8R1.5 C[C@@H]1CNCC[C@H]1O M30026 [0,1,0,1,0,0|1,0,1]=4 574 B8R1.5 C[C@H]1CCCCC1=O M68370 [0,1,0,1,0,0|1,0,0]=3 575 B8R1.5 C[C@H]1CCCNC1=O P23372 [0,1,0,1,0,0|1,0,0]=3 576 B8R1.5 C[C@H]1CCNCC1=O M14887 [0,1,0,1,0,0|1,0,0]=3 577 B8R1.5 C[C@H]1CCNC[C@H]1O H11700 [0,1,0,1,0,0|1,0,1]=4 578 B8R1.5 C[C@H]1CNCCC1=O M14880 [0,1,0,1,0,0|1,0,0]=3 579 B8R1.5 C[C@H]1CNCCC1=O M41497 [0,1,0,1,0,0|1,0,0]=3 580 B8R1.5 C[C@H]1COCCC1=O M11408 [0,1,0,1,0,0|1,0,0]=3 581 B8R1.5 N[C@@H]1CCCNC1=O A41314 [0,1,0,1,0,0|2,0,0]=4 582 B8R1.5 N[C@H]1CCCCC1=O A63504 [0,1,0,1,0,0|2,0,0]=4 583 B8R1.5 N[C@H]1CCCNC1=O A38933 [0,1,0,1,0,0|2,0,0]=4 584 B8R1.5 N[C@H]1CCCNC1=O A41313 [0,1,0,1,0,0|2,0,0]=4 585 B8R1.5 N[C@H]1CCCNC1=O A64847 [0,1,0,1,0,0|2,0,0]=4 586 B8R1.5 O=C1CCNC[C@@H]1F F11694 [0,1,0,1,0,0|2,0,0]=4 587 B8R1.5 O=C1CCNC[C@@H]1F F13759 [0,1,0,1,0,0|2,0,0]=4 588 B8R1.5 O=C1CCOC[C@@H]1Br B7711 [0,1,0,1,0,0|2,0,0]=4 589 B8R1.5 O=C1CCOC[C@@H]1F F5739 [0,1,0,1,0,0|2,0,0]=4 590 B8R1.5 O=C1NCCC[C@@H]1Br B41219 [0,1,0,1,0,0|2,0,0]=4 591 B8R1.5 O=C1NCCC[C@@H]1O H36756 [0,1,0,1,0,0|2,0,0]=4 592 B8R1.7 CC(=O)C1CCCC1 C69351 [0,1,0,1,0,0|1,0,0]=3 593 B8R1.7 CC(=O)[C@H]1NCCS1 T41381 [0,1,0,1,0,0|2,0,0]=4 594 B8R1.7 CC(O)C1CCNC1 P61134 [0,1,0,1,0,0|1,0,1]=4 595 B8R1.7 N=C(N)[C@@H]1CCCN1 P69767 [0,1,0,1,0,0|2,0,0]=4 596 B8R1.7 N=C(N)[C@@H]1CCCO1 T41316 [0,1,0,1,0,0|2,0,0]=4 597 B8R1.7 NC(=O)[C@@H]1CCCN1 P23637 [0,1,0,1,0,0|1,0,0]=3 598 B8R1.7 NC(=O)[C@@H]1CCCN1 P64914 [0,1,0,1,0,0|1,0,0]=3 599 B8R1.7 NC(=O)[C@@H]1CCCN1 P67734 [0,1,0,1,0,0|1,0,0]=3 600 B8R1.7 NC(=O)[C@@H]1CCNC1 P0296 [0,1,0,1,0,0|1,0,0]=3 601 B8R1.7 NC(=O)[C@H]1CCCN1 P40370 [0,1,0,1,0,0|1,0,0]=3 602 B8R1.7 NC(=O)[C@H]1CCNC1 P0295 [0,1,0,1,0,0|1,0,0]=3 603 B8R1.7 NC(=O)[C@H]1CCNC1 P1146 [0,1,0,1,0,0|1,0,0]=3 604 B8R1.7 NC(=O)[C@H]1CCNC1 P7510 [0,1,0,1,0,0|1,0,0]=3 605 B8R1.7 NC(=O)[C@H]1CCNC1 P7511 [0,1,0,1,0,0|1,0,0]=3 606 B8R1.7 NC(=O)[C@H]1CCOC1 T11900 [0,1,0,1,0,0|1,0,0]=3 607 B8R1.7 O=C(Cl)[C@H]1CCOC1 T41177 [0,1,0,1,0,0|1,0,0]=3 608 B8R1.7 O=C(O)C1=CCCC1 C43305 [0,1,0,1,0,0|0,0,1]=3 609 B8R1.7 O=C(O)C1=COCC1 D8190 [0,1,0,1,0,0|0,0,2]=4 610 B8R1.7 O=C(O)C1CC=CC1 C11537 [0,1,0,1,0,0|0,0,1]=3 611 B8R1.7 O=C(O)C1CCCC1 C23144 [0,1,0,1,0,0|0,0,0]=2 612 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41170 [0,1,0,1,0,0|0,0,2]=4 613 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41356 [0,1,0,1,0,0|0,0,2]=4 614 B8R1.7 O=C(O)[C@@H]1CCCN1 P69799 [0,1,0,1,0,0|0,0,0]=2 615 B8R1.7 O=C(O)[C@@H]1CCCO1 T37842 [0,1,0,1,0,0|0,0,0]=2 616 B8R1.7 O=C(O)[C@@H]1CCCO1 X25975 [0,1,0,1,0,0|0,0,0]=2 617 B8R1.7 O=C(O)[C@@H]1CCCS1 T41225 [0,1,0,1,0,0|0,0,0]=2 618 B8R1.7 O=C(O)[C@@H]1CCNC1 P12309 [0,1,0,1,0,0|0,0,0]=2 619 B8R1.7 O=C(O)[C@@H]1CCNC1 P6961 [0,1,0,1,0,0|0,0,0]=2 620 B8R1.7 O=C(O)[C@@H]1CCOC1 T1673 [0,1,0,1,0,0|0,0,0]=2 621 B8R1.7 O=C(O)[C@@H]1COCN1 X40338 [0,1,0,1,0,0|1,0,0]=3 622 B8R1.7 O=C(O)[C@H]1CCCO1 T25974 [0,1,0,1,0,0|0,0,0]=2 623 B8R1.7 O=C(O)[C@H]1CCNC1 P1152 [0,1,0,1,0,0|0,0,0]=2 624 B8R1.7 O=C(O)[C@H]1CCNC1 P1524 [0,1,0,1,0,0|0,0,0]=2 625 B8R1.7 O=C(O)[C@H]1CCNC1 P15767 [0,1,0,1,0,0|0,0,0]=2 626 B8R1.7 O=C(O)[C@H]1CCNC1 P41372 [0,1,0,1,0,0|0,0,0]=2 627 B8R1.7 O=C(O)[C@H]1CCOC1 T0394 [0,1,0,1,0,0|0,0,0]=2 628 B8R1.7 O=C(O)[C@H]1CCOC1 T0395 [0,1,0,1,0,0|0,0,0]=2 629 B8R1.7 O=C(O)[C@H]1CSCN1 T63317 [0,1,0,1,0,0|1,0,0]=3 630 B8R1.7 OB(O)C1CCCC1 C2400 [0,1,0,1,0,0|1,0,1]=4 631 B8R1.19 CC1(C)CCNC1=O D13691 [0,1,0,1,0,0|1,0,0]=3 632 B8R1.19 O=C1NCCC1(F)F D29703 [0,1,0,1,0,0|2,0,0]=4 633 B8R1.23 C=C1CC(C(=O)O)C1 M10240 [0,1,0,1,0,0|0,0,1]=3 634 B8R1.23 CC(=O)C1CC(O)C1 H22946 [0,1,0,1,0,0|1,0,0]=3 635 B8R1.23 CC(=O)N1CC(N)C1 A11253 [0,1,0,1,0,0|2,0,0]=4 636 B8R1.23 CC(=O)N1CC(O)C1 A15322 [0,1,0,1,0,0|2,0,0]=4 637 B8R1.23 CC1CC(C(=O)O)C1 M14949 [0,1,0,1,0,0|0,0,0]=2 638 B8R1.23 CN1CC(C(=O)O)C1 M0190 [0,1,0,1,0,0|0,0,0]=2 639 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 M10526 [0,1,0,1,0,0|0,0,0]=2 640 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 M10527 [0,1,0,1,0,0|0,0,0]=2 641 B8R1.23 NC1CC(C(=O)O)C1 A12181 [0,1,0,1,0,0|0,0,0]=2 642 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 A0232 [0,1,0,1,0,0|0,0,0]=2 643 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SB7470 [0,1,0,1,0,0|0,0,0]=2 644 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 A0233 [0,1,0,1,0,0|0,0,0]=2 645 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SB7471 [0,1,0,1,0,0|0,0,0]=2 646 B8R1.23 O=C(O)C1CC(Cl)C1 C15268 [0,1,0,1,0,0|0,0,0]=2 647 B8R1.23 O=C(O)C1CC(F)C1 F0317 [0,1,0,1,0,0|0,0,0]=2 648 B8R1.23 O=C(O)C1CC(O)C1 H12369 [0,1,0,1,0,0|0,0,0]=2 649 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 F59936 [0,1,0,1,0,0|0,0,0]=2 650 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 H11727 [0,1,0,1,0,0|0,0,0]=2 651 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 C29816 [0,1,0,1,0,0|0,0,0]=2 652 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 F60295 [0,1,0,1,0,0|0,0,0]=2 653 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 H14950 [0,1,0,1,0,0|0,0,0]=2 654 B8R1.23 O=C1CC(C(=O)O)C1 X1338 [0,1,0,1,0,0|0,0,1]=3 655 B8R1.23 O=C1C[C@@H](C(=O)O)N1 X14543 [0,1,0,1,0,0|1,0,1]=4 656 B8R1.30 C=C1C[C@]1(N)C(=O)O A65491 [0,1,0,1,0,0|0,0,2]=4 657 B8R1.54 N[C@@H](C(=O)O)C1CC1 A11037 [0,1,0,1,0,0|1,0,0]=3 658 B8R1.54 N[C@H](C(=O)O)C1CC1 A67725 [0,1,0,1,0,0|1,0,0]=3 659 B8R1.54 O=C(O)C(=O)C1CC1 C41121 [0,1,0,1,0,0|1,0,1]=4 660 B8R1.78 CC(=O)C1(C)COC1 M7156 [0,1,0,1,0,0|1,0,0]=3 661 B8R1.78 CC1(C(=O)O)CCC1 M11732 [0,1,0,1,0,0|0,0,0]=2 662 B8R1.78 CC1(C(=O)O)CNC1 M29556 [0,1,0,1,0,0|0,0,0]=2 663 B8R1.78 CC1(C(=O)O)COC1 M6214 [0,1,0,1,0,0|0,0,0]=2 664 B8R1.78 NC1(C(=O)O)CCC1 A10609 [0,1,0,1,0,0|0,0,0]=2 665 B8R1.78 NC1(C(=O)O)CCC1 A26979 [0,1,0,1,0,0|0,0,0]=2 666 B8R1.78 NC1(C(=O)O)CNC1 A6058 [0,1,0,1,0,0|1,0,0]=3 667 B8R1.78 NC1(C(=O)O)COC1 A5828 [0,1,0,1,0,0|1,0,0]=3 668 B8R1.78 O=C(O)C1(F)CNC1 F11481 [0,1,0,1,0,0|1,0,0]=3 669 B8R1.78 O=C(O)C1(O)COC1 H60052 [0,1,0,1,0,0|1,0,0]=3 670 B8R1.11 CC[C@H]1CCCC1=O E43799 [0,1,0,1,0,0|1,0,0]=3 671 B8R1.11 N#C[C@H]1COCC1=O F13819 [0,1,0,1,0,0|1,0,1]=4 672 B8R1.11 O=C1CCC[C@@H]1CO H41464 [0,1,0,1,0,0|1,0,0]=3 673 B8R1.11 O=C1NCC[C@@H]1CO H13645 [0,1,0,1,0,0|1,0,0]=3 674 B8R1.38 COC(=O)C1CNC1 M5857 [0,1,0,1,0,0|1,0,0]=3 675 B8R1.38 COC(=O)C1COC1 M15764 [0,1,0,1,0,0|1,0,0]=3 676 B8R1.38 COC(=O)[C@@H]1CCN1 M11233 [0,1,0,1,0,0|1,0,0]=3 677 B8R1.38 COC(=O)[C@@H]1CCN1 M11611 [0,1,0,1,0,0|1,0,0]=3 678 B8R1.38 COC(=O)[C@H]1CCN1 M11612 [0,1,0,1,0,0|1,0,0]=3 679 B8R1.38 NNC(=O)C1CCC1 C12362 [0,1,0,1,0,0|1,0,0]=3 680 B8R1.39 CC1(C(=O)NN)CC1 M40371 [0,1,0,1,0,0|1,0,0]=3 681 B8R1.39 COC(=O)C1(Br)CC1 M38537 [0,1,0,1,0,0|1,0,0]=3 682 B8R1.39 COC(=O)C1(N)CC1 M13766 [0,1,0,1,0,0|1,0,0]=3 683 B8R1.39 COC(=O)C1(N)CC1 M25083 [0,1,0,1,0,0|1,0,0]=3 684 B8R1.39 COC(=O)C1(O)CC1 M23123 [0,1,0,1,0,0|1,0,0]=3 685 B8R1.50 CC1C(=O)CCC1=O M25293 [0,1,0,1,0,0|1,0,1]=4 686 B8R1.50 O=C1OC[C@@H](O)[C@H]1O D40215 [0,1,0,1,0,0|1,0,0]=3 687 B8R1.63 C#CC1(C(=O)O)CC1 E42939 [0,1,0,1,0,0|0,0,1]=3 688 B8R1.63 CCC1(C(=O)O)CC1 E29679 [0,1,0,1,0,0|0,0,0]=2 689 B8R1.63 N#CC1(C(=O)O)CC1 C24923 [0,1,0,1,0,0|0,0,1]=3 690 B8R1.63 N#CC1(C(N)=O)CC1 C41029 [0,1,0,1,0,0|1,0,1]=4 691 B8R1.70 CC1(S(=O)(=O)Cl)CC1 M1603 [0,1,0,1,0,0|1,0,1]=4 692 B8R1.70 CC1(S(N)(=O)=O)CC1 M24810 [0,1,0,1,0,0|1,0,1]=4 693 B8R1.77 CC1(C)C[C@@H]1C(=O)O D19962 [0,1,0,1,0,0|0,0,0]=2 694 B8R1.77 CC1(C)C[C@@H]1C(=O)O D25255 [0,1,0,1,0,0|0,0,0]=2 695 B8R1.77 CC1(C)C[C@@H]1C(N)=O D68613 [0,1,0,1,0,0|1,0,0]=3 696 B8R1.77 O=C(O)[C@@H]1CC1(F)F D31144 [0,1,0,1,0,0|1,0,0]=3 697 B8R1.77 O=C(O)[C@H]1CC1(F)F D13358 [0,1,0,1,0,0|1,0,0]=3 698 B8R2.19 O=C1CCC12CC2 S22254 [0,0,0,2,0,0|1,0,0]=3