0 B6R0.3 C=C(CBr)C(=O)O B40169 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.3 C=C[C@H](C)C(=O)O M60559 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.3 C=C[C@H](N)C(=O)O A40334 [0,0,0,0,0,0|1,0,1]=2 3 B6R0.3 CC(C)[C@@H](N)CO V15808 [0,0,0,0,0,0|2,1,1]=4 4 B6R0.3 CC(C)[C@H](N)CO V40442 [0,0,0,0,0,0|2,1,1]=4 5 B6R0.3 CCC(=O)C(=O)[O-] S40297 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.3 CCN(C)C(=O)Cl E40250 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.3 CCN(C)C(C)=O E40404 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.3 CC[C@@H](C)C(=O)O M40381 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.3 CC[C@@H](N)C(N)=O A40305 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.3 CC[C@H](C)B(O)O B39967 [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|1,0,0]=1 12 B6R0.3 CC[C@H](N)C(=O)O A68376 [0,0,0,0,0,0|1,0,0]=1 13 B6R0.3 CC[C@H](N)C(N)=O A64477 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.3 CC[C@H](O)C(=O)O H23105 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.3 CN[C@@H](C)C(=O)O M68914 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.3 CN[C@H](C)C(=O)O M63076 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.3 CO[C@@H](C)C(=O)O M11053 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.3 CO[C@@H](C)C(=O)O M69861 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.3 CO[C@H](C)C(=O)O M8894 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.3 C[C@@H](O)[C@H](N)CO A68622 [0,0,0,0,0,0|1,1,1]=3 21 B6R0.3 C[C@H](CN)C(=O)O A40352 [0,0,0,0,0,0|2,0,0]=2 22 B6R0.3 C[C@H](O)[C@@H](N)CO T39965 [0,0,0,0,0,0|1,1,1]=3 23 B6R0.3 NC(=O)[C@H](N)CO A39930 [0,0,0,0,0,0|1,1,0]=2 24 B6R0.3 NC[C@@H](O)C(=O)O A39878 [0,0,0,0,0,0|2,0,0]=2 25 B6R0.3 NC[C@H](N)C(=O)O D39929 [0,0,0,0,0,0|1,0,0]=1 26 B6R0.3 NC[C@H](O)C(=O)O S39877 [0,0,0,0,0,0|2,0,0]=2 27 B6R0.3 N[C@@H](CS)C(=O)O A39926 [0,0,0,0,0,0|0,0,0]=0 28 B6R0.3 N[C@H](CCl)C(=O)O A39869 [0,0,0,0,0,0|1,0,0]=1 29 B6R0.3 N[C@H](CCl)C(=O)O A63558 [0,0,0,0,0,0|1,0,0]=1 30 B6R0.3 N[C@H](CS)C(=O)O A37860 [0,0,0,0,0,0|0,0,0]=0 31 B6R0.3 N[C@H](CS)C(=O)O C67456 [0,0,0,0,0,0|0,0,0]=0 32 B6R0.3 N[C@H](CS)C(=O)O C69203 [0,0,0,0,0,0|0,0,0]=0 33 B6R0.3 O=C(O)[C@@H](Br)CBr D39848 [0,0,0,0,0,0|2,0,0]=2 34 B6R0.3 O=C(O)[C@@H](O)CO D38851 [0,0,0,0,0,0|1,1,0]=2 35 B5R0.1 C#CCC(=O)O B38084 [1,0,0,0,0,0|1,0,1]=3 36 B5R0.1 CC#CC(=O)O B67945 [1,0,0,0,0,0|1,0,2]=4 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|2,0,1]=4 40 B5R0.1 CNCC(=O)O M68590 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.1 CNCC(N)=O M68358 [1,0,0,0,0,0|3,0,0]=4 42 B5R0.1 COCC(=O)O M69331 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.1 C[C@H](O)CCO B68917 [1,0,0,0,0,0|1,1,1]=4 44 B5R0.1 N#CCC(N)=O C60562 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.1 NCCC(N)=O A67869 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.1 NCC[P@H](=O)O A39788 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.1 NOCC(=O)O C40302 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.1 O=C(O)\C=C\Br B9431 [1,0,0,0,0,0|1,0,2]=4 49 B5R0.1 O=[N+]([O-])CCO N39779 [1,0,0,0,0,0|1,1,1]=4 50 B5R0.3 C=C[C@H](N)CO A40343 [1,0,0,0,0,0|1,1,0]=3 51 B5R0.3 CC(CO)CO M60880 [1,0,0,0,0,0|1,1,1]=4 52 B5R0.3 CCC(N)CC P40440 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.3 CC[C@@H](N)CO A39144 [1,0,0,0,0,0|1,0,1]=3 54 B5R0.3 CC[C@@H](O)CO B39955 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.3 CC[C@H](N)CO A39145 [1,0,0,0,0,0|1,0,1]=3 56 B5R0.3 CC[C@H](O)CO B39956 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.3 NC[C@@H](O)CO A67523 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.3 NC[C@H](O)CO A38562 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.3 NC[C@H](O)CO A67451 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.3 O=CC(Br)C=O B2627 [1,0,0,0,0,0|1,1,1]=4 61 B5R0.3 O=C[C@H](O)CO D39873 [1,0,0,0,0,0|1,1,0]=3 62 B5R0.3 OC[C@@H](O)CCl C69122 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.3 OC[C@@H](O)CF F60905 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.3 OC[C@H](O)CCl C68371 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.3 OC[C@H](O)CF F60904 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.5 C=C(F)C(=O)O F39831 [1,0,0,0,0,0|1,0,2]=4 67 B5R0.5 CC(=O)C(=O)[O-] C43424 [1,0,0,0,0,0|1,0,2]=4 68 B5R0.5 CC(C)B(O)O P39893 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.5 CC(C)C(=N)N B40303 [1,0,0,0,0,0|3,0,0]=4 70 B5R0.5 CC(C)C(N)=O I4848 [1,0,0,0,0,0|2,0,0]=3 71 B5R0.5 CC(C)C(N)=S M3101 [1,0,0,0,0,0|2,1,0]=4 72 B5R0.5 CC(C)[S@](=O)[O-] S66891 [1,0,0,0,0,0|2,0,1]=4 73 B5R0.5 CC(O)C(=O)[O-] C60888 [1,0,0,0,0,0|1,0,1]=3 74 B5R0.5 CN(N)C(N)=O M1991 [1,0,0,0,0,0|2,0,0]=3 75 B5R0.5 CN(N)C(N)=S M39785 [1,0,0,0,0,0|2,1,0]=4 76 B5R0.5 C[C@@H](Cl)C(=O)O C60901 [1,0,0,0,0,0|1,0,0]=2 77 B5R0.5 C[C@@H](N)C(N)=O A69602 [1,0,0,0,0,0|1,0,0]=2 78 B5R0.5 C[C@@H](O)C(N)=O H68918 [1,0,0,0,0,0|2,0,0]=3 79 B5R0.5 C[C@@H](O)[C@@H](C)O B39957 [1,0,0,0,0,0|2,0,1]=4 80 B5R0.5 C[C@H](N)C(=O)O A39925 [1,0,0,0,0,0|0,0,0]=1 81 B5R0.5 C[C@H](N)C(=O)O A60902 [1,0,0,0,0,0|0,0,0]=1 82 B5R0.5 C[C@H](O)[C@H](C)O B39958 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.5 O=C(O)C(=O)O A69569 [1,0,0,0,0,0|1,1,1]=4 84 B5R0.5 O=C(O)C(=O)O E39942 [1,0,0,0,0,0|1,1,1]=4 85 B7R0.5 C#CC[C@@H](N)C(=O)O A41167 [0,1,0,0,0,0|1,0,0]=2 86 B7R0.5 C#CC[C@@H](N)C(=O)O A41354 [0,1,0,0,0,0|1,0,0]=2 87 B7R0.5 C#CC[C@H](N)C(=O)O A41168 [0,1,0,0,0,0|1,0,0]=2 88 B7R0.5 C#CC[C@H](N)C(=O)O A41353 [0,1,0,0,0,0|1,0,0]=2 89 B7R0.5 C#CC[C@H](N)C(=O)O A41355 [0,1,0,0,0,0|1,0,0]=2 90 B7R0.5 C=CC[C@@H](N)C(=O)O A41371 [0,1,0,0,0,0|1,0,0]=2 91 B7R0.5 C=CC[C@H](N)C(=O)O A68612 [0,1,0,0,0,0|1,0,0]=2 92 B7R0.5 CCC=C(C)C(=O)O M39198 [0,1,0,0,0,0|2,0,1]=4 93 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [0,1,0,0,0,0|1,0,0]=2 94 B7R0.5 CCC[C@H](O)C(=O)O H40390 [0,1,0,0,0,0|2,0,0]=3 95 B7R0.5 CCOC(=O)C(=O)O E36772 [0,1,0,0,0,0|2,0,1]=4 96 B7R0.5 CC\C=C(/C)C(=O)O M41462 [0,1,0,0,0,0|2,0,1]=4 97 B7R0.5 COC[C@@H](N)C(=O)O A40353 [0,1,0,0,0,0|0,1,0]=2 98 B7R0.5 COC[C@@H](N)C(=O)O A61058 [0,1,0,0,0,0|0,1,0]=2 99 B7R0.5 COC[C@H](Br)C(=O)O B40233 [0,1,0,0,0,0|1,1,0]=3 100 B7R0.5 COC[C@H](N)C(=O)O A40354 [0,1,0,0,0,0|0,1,0]=2 101 B7R0.5 COC[C@H](N)C(=O)O A67760 [0,1,0,0,0,0|0,1,0]=2 102 B7R0.5 NCC[C@@H](N)C(=O)O D40355 [0,1,0,0,0,0|1,0,0]=2 103 B7R0.5 NCC[C@H](F)C(=O)O A63044 [0,1,0,0,0,0|2,0,0]=3 104 B7R0.5 NCC[C@H](N)C(=O)O D37858 [0,1,0,0,0,0|1,0,0]=2 105 B7R0.5 NCC[C@H](N)C(=O)O D68313 [0,1,0,0,0,0|1,0,0]=2 106 B7R0.5 NCC[C@H](O)C(=O)O A39157 [0,1,0,0,0,0|2,0,0]=3 107 B7R0.5 NOC[C@H](N)C(=O)O A39931 [0,1,0,0,0,0|0,1,0]=2 108 B7R0.5 N[C@@H](CCBr)C(=O)O A37762 [0,1,0,0,0,0|1,0,0]=2 109 B7R0.5 N[C@@H](CCO)C(=O)O A68603 [0,1,0,0,0,0|0,1,0]=2 110 B7R0.5 N[C@@H](CCS)C(=O)O H68345 [0,1,0,0,0,0|0,0,0]=1 111 B7R0.5 N[C@H](CCO)C(=O)O A68363 [0,1,0,0,0,0|0,1,0]=2 112 B7R0.5 N[C@H](CCS)C(=O)O A66150 [0,1,0,0,0,0|0,0,0]=1 113 B7R0.10 C=C(CBr)C(=O)OC M36843 [0,1,0,0,0,0|2,0,1]=4 114 B7R0.10 C=C(CO)C(=O)OC M7022 [0,1,0,0,0,0|1,1,1]=4 115 B7R0.10 CC[C@@H](N)C(=O)OC M61982 [0,1,0,0,0,0|1,0,0]=2 116 B7R0.10 CC[C@H](Br)C(=O)OC M68973 [0,1,0,0,0,0|2,0,0]=3 117 B7R0.10 CC[C@H](N)C(=O)OC M40408 [0,1,0,0,0,0|1,0,0]=2 118 B7R0.10 CC[C@H](N)C(=O)OC M41330 [0,1,0,0,0,0|1,0,0]=2 119 B7R0.10 CC[C@H](N)C(=O)OC M41334 [0,1,0,0,0,0|1,0,0]=2 120 B7R0.10 CN[C@@H](C)C(=O)OC M62351 [0,1,0,0,0,0|3,0,0]=4 121 B7R0.10 COC(=O)C(=O)CBr M2726 [0,1,0,0,0,0|2,0,1]=4 122 B7R0.10 COC(=O)[C@@H](Br)CO M40234 [0,1,0,0,0,0|1,1,0]=3 123 B7R0.10 COC(=O)[C@@H](C)CBr M41268 [0,1,0,0,0,0|2,0,0]=3 124 B7R0.10 COC(=O)[C@@H](C)CO M25480 [0,1,0,0,0,0|1,1,0]=3 125 B7R0.10 COC(=O)[C@@H](Cl)CCl M69066 [0,1,0,0,0,0|2,0,0]=3 126 B7R0.10 COC(=O)[C@@H](F)CO M60918 [0,1,0,0,0,0|1,1,0]=3 127 B7R0.10 COC(=O)[C@@H](N)CO M68693 [0,1,0,0,0,0|0,1,0]=2 128 B7R0.10 COC(=O)[C@@H](N)CO S64541 [0,1,0,0,0,0|0,1,0]=2 129 B7R0.10 COC(=O)[C@@H](O)CN M61501 [0,1,0,0,0,0|2,0,0]=3 130 B7R0.10 COC(=O)[C@@H](O)CO M40259 [0,1,0,0,0,0|1,1,0]=3 131 B7R0.10 COC(=O)[C@H](C)CO M40393 [0,1,0,0,0,0|1,1,0]=3 132 B7R0.10 COC(=O)[C@H](N)CCl M69012 [0,1,0,0,0,0|1,0,0]=2 133 B7R0.10 COC(=O)[C@H](N)CS M69349 [0,1,0,0,0,0|0,0,0]=1 134 B7R0.10 COC(=O)[C@H](O)CO M40258 [0,1,0,0,0,0|1,1,0]=3 135 B7R0.10 NNC(=O)[C@@H](N)CO S39933 [0,1,0,0,0,0|1,1,0]=3 136 B7R0.13 C#CC(C)(C)C(=O)O D24314 [0,1,0,0,0,0|2,0,1]=4 137 B7R0.13 C=CC(C)(C)C(=O)O D37320 [0,1,0,0,0,0|2,0,1]=4 138 B7R0.13 CC(C)(C#N)C(=O)O C62304 [0,1,0,0,0,0|2,0,1]=4 139 B7R0.13 CC(C)(CF)C(=O)O F41272 [0,1,0,0,0,0|2,0,0]=3 140 B7R0.13 CC(C)(CN)C(N)=O A12146 [0,1,0,0,0,0|3,0,0]=4 141 B7R0.13 CC(C)(CO)C(=O)O H68365 [0,1,0,0,0,0|1,1,0]=3 142 B7R0.13 CC[C@@](C)(N)C(=O)O K69340 [0,1,0,0,0,0|1,0,0]=2 143 B7R0.13 CC[C@](C)(N)C(=O)O K68055 [0,1,0,0,0,0|1,0,0]=2 144 B7R0.13 C[C@@](N)(CO)C(=O)O M36868 [0,1,0,0,0,0|0,1,0]=2 145 B7R0.13 C[C@](N)(CO)C(=O)O A32019 [0,1,0,0,0,0|0,1,0]=2 146 B7R0.13 C[C@](O)(CBr)C(=O)O B40235 [0,1,0,0,0,0|2,0,0]=3 147 B7R0.13 NCC(F)(F)C(=O)O A62796 [0,1,0,0,0,0|2,0,0]=3 148 B7R0.13 NCC(F)(F)C(=O)O A67336 [0,1,0,0,0,0|2,0,0]=3 149 B7R0.15 CCC(CC)C(=O)[O-] M43580 [0,1,0,0,0,0|2,0,1]=4 150 B7R0.15 O=C(O)C(CBr)CBr B40213 [0,1,0,0,0,0|2,0,0]=3 151 B7R0.15 O=C(O)C(CS)CS M67176 [0,1,0,0,0,0|1,0,0]=2 152 B7R0.16 CC(C)[C@@H](N)C(=O)O A60652 [0,1,0,0,0,0|1,0,0]=2 153 B7R0.16 CC(C)[C@@H](O)C(=O)O H64151 [0,1,0,0,0,0|2,0,0]=3 154 B7R0.16 CC(C)[C@H](N)C(=N)O V67982 [0,1,0,0,0,0|2,0,0]=3 155 B7R0.16 CC(C)[C@H](O)C(=O)O H40392 [0,1,0,0,0,0|2,0,0]=3 156 B7R0.16 CC(O)C(N)C(=O)O T61081 [0,1,0,0,0,0|0,1,0]=2 157 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O A67434 [0,1,0,0,0,0|0,1,0]=2 158 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O A40309 [0,1,0,0,0,0|1,1,0]=3 159 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O A68604 [0,1,0,0,0,0|0,1,0]=2 160 B7R0.16 NC(=O)C(N)C(N)=O A39875 [0,1,0,0,0,0|1,1,1]=4 161 B7R0.16 O=C(O)C(=O)C(Br)Br D39815 [0,1,0,0,0,0|2,0,1]=4 162 B7R1.4 C[C@H]1CCCC1=O M41458 [0,0,0,1,0,0|3,0,0]=4 163 B7R1.4 C[C@H]1CCNC1=O M41257 [0,0,0,1,0,0|3,0,0]=4 164 B7R1.4 C[C@H]1CCOC1=O M41224 [0,0,0,1,0,0|2,0,0]=3 165 B7R1.4 NC1CCCC1O A40401 [0,0,0,1,0,0|2,0,1]=4 166 B7R1.4 NC1COCC1O A32163 [0,0,0,1,0,0|1,1,1]=4 167 B7R1.4 NN1CCCC1=O A22230 [0,0,0,1,0,0|3,0,0]=4 168 B7R1.4 N[C@@H]1CCC[C@@H]1O A67556 [0,0,0,1,0,0|2,0,1]=4 169 B7R1.4 N[C@@H]1CCC[C@H]1O A27146 [0,0,0,1,0,0|2,0,1]=4 170 B7R1.4 N[C@@H]1CCC[C@H]1O A40405 [0,0,0,1,0,0|2,0,1]=4 171 B7R1.4 N[C@@H]1CCC[C@H]1O A41326 [0,0,0,1,0,0|2,0,1]=4 172 B7R1.4 N[C@@H]1CCNC1=O A40242 [0,0,0,1,0,0|2,0,0]=3 173 B7R1.4 N[C@@H]1CCNC1=O A62971 [0,0,0,1,0,0|2,0,0]=3 174 B7R1.4 N[C@@H]1CCOC1=O H68344 [0,0,0,1,0,0|1,0,0]=2 175 B7R1.4 N[C@@H]1COC[C@H]1O A13516 [0,0,0,1,0,0|1,1,1]=4 176 B7R1.4 N[C@@H]1COC[C@H]1O A20318 [0,0,0,1,0,0|1,1,1]=4 177 B7R1.4 N[C@@H]1COC[C@H]1O A40351 [0,0,0,1,0,0|1,1,1]=4 178 B7R1.4 N[C@H]1CCC[C@@H]1O A24888 [0,0,0,1,0,0|2,0,1]=4 179 B7R1.4 N[C@H]1CCC[C@H]1O A41327 [0,0,0,1,0,0|2,0,1]=4 180 B7R1.4 N[C@H]1CCNC1=O A24294 [0,0,0,1,0,0|2,0,0]=3 181 B7R1.4 N[C@H]1CCOC1=O A40300 [0,0,0,1,0,0|1,0,0]=2 182 B7R1.4 N[C@H]1CCOC1=O A40335 [0,0,0,1,0,0|1,0,0]=2 183 B7R1.4 N[C@H]1COC[C@@H]1O A13517 [0,0,0,1,0,0|1,1,1]=4 184 B7R1.4 O=C1NCC[C@@H]1O H20173 [0,0,0,1,0,0|3,0,0]=4 185 B7R1.4 O=C1NCC[C@@H]1O H37914 [0,0,0,1,0,0|3,0,0]=4 186 B7R1.4 O=C1NCC[C@H]1O H40227 [0,0,0,1,0,0|3,0,0]=4 187 B7R1.4 O=C1OCC[C@@H]1Br B31114 [0,0,0,1,0,0|2,0,0]=3 188 B7R1.8 O=C1CC[C@@H]1CO H13228 [0,0,0,1,0,0|2,1,0]=4 189 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [0,0,0,1,0,0|2,0,0]=3 190 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [0,0,0,1,0,0|2,0,0]=3 191 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [0,0,0,1,0,0|2,0,0]=3 192 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [0,0,0,1,0,0|2,0,0]=3 193 B7R1.12 O=C(O)C1CC1F F20460 [0,0,0,1,0,0|2,0,0]=3 194 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F F8695 [0,0,0,1,0,0|2,0,0]=3 195 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I K67056 [0,0,0,1,0,0|2,0,0]=3 196 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F18516 [0,0,0,1,0,0|2,0,0]=3 197 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F21701 [0,0,0,1,0,0|2,0,0]=3 198 B7R1.12 O=C(O)[C@H]1C[C@@H]1F F21702 [0,0,0,1,0,0|2,0,0]=3 199 B7R1.18 CC(=O)C1CCC1 C22926 [0,0,0,1,0,0|3,0,0]=4 200 B7R1.18 CC(=O)C1CNC1 A18542 [0,0,0,1,0,0|3,0,0]=4 201 B7R1.18 NC(=O)C1CCC1 C36760 [0,0,0,1,0,0|3,0,0]=4 202 B7R1.18 NC(=O)C1CNC1 A0189 [0,0,0,1,0,0|3,0,0]=4 203 B7R1.18 NC(=O)C1CNC1 A10232 [0,0,0,1,0,0|3,0,0]=4 204 B7R1.18 O=C(O)C1CCC1 C39184 [0,0,0,1,0,0|2,0,0]=3 205 B7R1.18 O=C(O)C1CNC1 A0022 [0,0,0,1,0,0|2,0,0]=3 206 B7R1.18 O=C(O)C1CNC1 A62344 [0,0,0,1,0,0|2,0,0]=3 207 B7R1.18 O=C(O)[C@@H]1CCN1 A0692 [0,0,0,1,0,0|1,0,0]=2 208 B7R1.18 O=C(O)[C@@H]1CCN1 A0705 [0,0,0,1,0,0|1,0,0]=2 209 B7R1.18 O=C(O)[C@@H]1CCO1 X60210 [0,0,0,1,0,0|2,0,0]=3 210 B7R1.18 O=C(O)[C@@H]1CCO1 X6939 [0,0,0,1,0,0|2,0,0]=3 211 B7R1.18 O=C(O)[C@H]1CCN1 A0706 [0,0,0,1,0,0|1,0,0]=2 212 B7R1.18 O=C(O)[C@H]1CCN1 A40336 [0,0,0,1,0,0|1,0,0]=2 213 B7R1.18 O=C(O)[C@H]1CCO1 X60294 [0,0,0,1,0,0|2,0,0]=3 214 B7R1.19 CC1(C(=O)Cl)CC1 M21667 [0,0,0,1,0,0|3,0,0]=4 215 B7R1.19 CC1(C(=O)O)CC1 M10729 [0,0,0,1,0,0|2,0,0]=3 216 B7R1.19 CC1(C(N)=O)CC1 M41258 [0,0,0,1,0,0|3,0,0]=4 217 B7R1.19 NC(=O)C1(N)CC1 A29804 [0,0,0,1,0,0|2,0,0]=3 218 B7R1.19 NC1(C(=O)O)CC1 A7850 [0,0,0,1,0,0|1,0,0]=2 219 B7R1.19 O=C(O)C1(Br)CC1 B40170 [0,0,0,1,0,0|2,0,0]=3 220 B7R1.19 O=C(O)C1(F)CC1 F32122 [0,0,0,1,0,0|2,0,0]=3 221 B7R1.19 O=C(O)C1(O)CC1 H13746 [0,0,0,1,0,0|2,0,0]=3 222 B7R0.2 CC[C@H](C)CC(=O)O M41552 [0,0,0,0,0,1|2,0,0]=3 223 B7R0.2 CC[C@H](N)CC(=O)O A69512 [0,0,0,0,0,1|1,0,0]=2 224 B7R0.2 NC[C@@H](O)CC(=O)O A32052 [0,0,0,0,0,1|2,0,0]=3 225 B7R0.2 NC[C@H](O)CC(=O)O A67723 [0,0,0,0,0,1|2,0,0]=3 226 B7R0.2 N[C@@H](CO)CC(=O)O A38154 [0,0,0,0,0,1|0,1,0]=2 227 B4R0.1 C#C[C@H](C)N B32316 [2,0,0,0,0,0|1,0,1]=4 228 B4R0.1 CC(=O)CN A38843 [2,0,0,0,0,0|1,0,0]=3 229 B4R0.1 CC(=O)CO H60801 [2,0,0,0,0,0|1,1,0]=4 230 B4R0.1 CC(=O)NN A64932 [2,0,0,0,0,0|2,0,0]=4 231 B4R0.1 CC(C)NO P39934 [2,0,0,0,0,0|2,0,0]=4 232 B4R0.1 CC(N)=NO H37897 [2,0,0,0,0,0|1,0,1]=4 233 B4R0.1 CCB(O)O E3108 [2,0,0,0,0,0|1,0,1]=4 234 B4R0.1 CCC(=N)N P39882 [2,0,0,0,0,0|2,0,0]=4 235 B4R0.1 CCC(=N)N P39927 [2,0,0,0,0,0|2,0,0]=4 236 B4R0.1 CCC(N)=O P68920 [2,0,0,0,0,0|1,0,0]=3 237 B4R0.1 CC[C@H](C)N B62608 [2,0,0,0,0,0|1,0,1]=4 238 B4R0.1 CC[S@](=O)[O-] S39781 [2,0,0,0,0,0|1,0,1]=4 239 B4R0.1 C[C@@H](Cl)CO C39879 [2,0,0,0,0,0|1,0,1]=4 240 B4R0.1 C[C@@H](N)CN D39937 [2,0,0,0,0,0|1,0,1]=4 241 B4R0.1 C[C@@H](N)CO A13415 [2,0,0,0,0,0|0,0,1]=3 242 B4R0.1 C[C@@H](O)CCl C67728 [2,0,0,0,0,0|2,0,0]=4 243 B4R0.1 C[C@@H](O)CN A67482 [2,0,0,0,0,0|1,0,1]=4 244 B4R0.1 C[C@H](Cl)CO C39880 [2,0,0,0,0,0|1,0,1]=4 245 B4R0.1 C[C@H](N)CF F62811 [2,0,0,0,0,0|1,0,1]=4 246 B4R0.1 C[C@H](N)CN P39936 [2,0,0,0,0,0|1,0,1]=4 247 B4R0.1 C[C@H](N)CO A13416 [2,0,0,0,0,0|0,0,1]=3 248 B4R0.1 C[C@H](N)CO A69136 [2,0,0,0,0,0|0,0,1]=3 249 B4R0.1 C[C@H](O)CN A69178 [2,0,0,0,0,0|1,0,1]=4 250 B4R0.1 C[C@H](O)CO P60705 [2,0,0,0,0,0|1,0,1]=4 251 B4R0.1 NC(=O)CBr B39771 [2,0,0,0,0,0|1,0,1]=4 252 B4R0.1 NC(=O)CI K60849 [2,0,0,0,0,0|1,0,1]=4 253 B4R0.1 NC(=O)CO H68919 [2,0,0,0,0,0|0,1,1]=4 254 B4R0.1 NCC(N)=O G69255 [2,0,0,0,0,0|1,0,0]=3 255 B4R0.1 NNC(N)=O S69135 [2,0,0,0,0,0|2,0,0]=4 256 B4R0.2 C=CCCN B21913 [2,0,0,0,0,0|2,0,0]=4 257 B4R0.2 C=CCCO B40252 [2,0,0,0,0,0|1,1,0]=4 258 B4R0.2 N#CCCS M39860 [2,0,0,0,0,0|1,0,1]=4 259 B4R0.2 NCCCO A69322 [2,0,0,0,0,0|1,0,1]=4 260 B4R0.2 OCCCBr B39137 [2,0,0,0,0,0|1,0,1]=4 261 B4R0.2 OCCCO P69117 [2,0,0,0,0,0|0,1,1]=4 262 B6R0.1 C#CCC(=O)OC M41116 [1,1,0,0,0,0|1,0,1]=4 263 B6R0.1 CCOC(=O)CO E37817 [1,1,0,0,0,0|2,0,0]=4 264 B6R0.1 CCOC(=O)OC E40254 [1,1,0,0,0,0|2,0,0]=4 265 B6R0.1 CNC(=O)CCN A40306 [1,1,0,0,0,0|2,0,0]=4 266 B6R0.1 COC(=O)CC#N M68915 [1,1,0,0,0,0|1,0,1]=4 267 B6R0.1 COC(=O)CCBr M39155 [1,1,0,0,0,0|1,0,0]=3 268 B6R0.1 COC(=O)CCN M67902 [1,1,0,0,0,0|1,0,0]=3 269 B6R0.1 COC(=O)CCO M24551 [1,1,0,0,0,0|0,1,0]=3 270 B6R0.1 COC(=O)OCCl C62332 [1,1,0,0,0,0|2,0,0]=4 271 B6R0.2 C[C@@H](N)CC(=O)O A37837 [1,1,0,0,0,0|1,0,0]=3 272 B6R0.2 C[C@@H](N)CC(=O)O A40348 [1,1,0,0,0,0|1,0,0]=3 273 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [1,1,0,0,0,0|0,1,1]=4 274 B6R0.2 C[C@H](N)CC(=O)O A40265 [1,1,0,0,0,0|1,0,0]=3 275 B6R0.2 C[C@H](O)CC(=O)O H38871 [1,1,0,0,0,0|0,1,0]=3 276 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [1,1,0,0,0,0|0,1,1]=4 277 B6R0.4 C#CCCC(=O)O P68088 [1,1,0,0,0,0|1,0,0]=3 278 B6R0.4 C=CCCC(=O)O P37823 [1,1,0,0,0,0|1,0,0]=3 279 B6R0.4 C=CCCC(N)=O P5022 [1,1,0,0,0,0|2,0,0]=4 280 B6R0.4 CC(=O)CCCCl C68599 [1,1,0,0,0,0|2,0,0]=4 281 B6R0.4 CC(=O)NCCN A68626 [1,1,0,0,0,0|2,0,0]=4 282 B6R0.4 CC(=O)NCCO H68625 [1,1,0,0,0,0|1,1,0]=4 283 B6R0.4 CC(=O)OCCBr B67892 [1,1,0,0,0,0|2,0,0]=4 284 B6R0.4 CCCCC(=O)[O-] S38573 [1,1,0,0,0,0|1,0,1]=4 285 B6R0.4 CCCOC(N)=O P40264 [1,1,0,0,0,0|2,0,0]=4 286 B6R0.4 CNCCC(=O)O M40350 [1,1,0,0,0,0|1,0,0]=3 287 B6R0.4 COCCC(=O)O M40255 [1,1,0,0,0,0|0,1,0]=3 288 B6R0.4 N#CCCC(=O)O C69146 [1,1,0,0,0,0|1,0,0]=3 289 B6R0.4 NCCCC(N)=O A40304 [1,1,0,0,0,0|2,0,0]=4 290 B6R0.4 O=C(O)CCCBr B39154 [1,1,0,0,0,0|1,0,0]=3 291 B6R0.4 O=C(O)CCCCl C40232 [1,1,0,0,0,0|1,0,0]=3 292 B6R0.4 O=C(O)\C=C\CBr B37272 [1,1,0,0,0,0|1,0,1]=4 293 B6R0.5 O=P(O)(O)CCBr B39783 [1,1,0,0,0,0|2,0,0]=4 294 B6R0.5 O=S(=O)(O)CCO H69249 [1,1,0,0,0,0|1,1,0]=4 295 B6R0.8 O=CC(Br)(Br)CBr T32084 [1,1,0,0,0,0|2,0,0]=4 296 B6R0.7 CC(C)(Br)C(N)=O B38472 [1,1,0,0,0,0|2,0,0]=4 297 B6R0.7 CC(C)(C)C(=O)[O-] P36605 [1,1,0,0,0,0|1,0,1]=4 298 B6R0.7 CC(C)(C)C(=O)[O-] S41305 [1,1,0,0,0,0|1,0,1]=4 299 B6R0.7 CC(C)(C)C(N)=O T40403 [1,1,0,0,0,0|2,0,0]=4 300 B6R0.7 CC(C)(F)C(=O)O F60900 [1,1,0,0,0,0|1,0,0]=3 301 B6R0.7 CC(C)(O)C(N)=O H40266 [1,1,0,0,0,0|2,0,0]=4 302 B6R0.7 CC(F)(F)C(=O)O D39849 [1,1,0,0,0,0|1,0,0]=3 303 B6R0.7 O=C(O)C(F)(F)Br B39790 [1,1,0,0,0,0|2,0,0]=4 304 B6R0.7 O=C(O)C(F)(F)F E20763 [1,1,0,0,0,0|2,0,0]=4 305 B6R0.7 O=C(O)C(F)(F)F F60389 [1,1,0,0,0,0|2,0,0]=4 306 B6R0.7 O=C(O)C(F)(F)F F60468 [1,1,0,0,0,0|2,0,0]=4 307 B6R0.7 O=C(O)C(F)(F)F M20739 [1,1,0,0,0,0|2,0,0]=4 308 B8R0.5 C=CC[C@@H](N)CC(=O)O A43439 [0,1,0,0,0,1|1,0,0]=3 309 B8R0.5 CCC[C@H](N)CC(=O)O A43488 [0,1,0,0,0,1|1,0,0]=3 310 B8R0.19 CC[C@H](N)CC(=O)OC M43495 [0,1,0,0,0,1|1,0,0]=3 311 B8R0.19 COC(=O)C[C@@H](O)CCl M41276 [0,1,0,0,0,1|2,0,0]=4 312 B8R0.23 CC(C)[C@@H](N)CC(=O)O A67729 [0,1,0,0,0,1|1,0,0]=3 313 B8R0.23 CC(C)[C@H](N)CC(=O)O A38977 [0,1,0,0,0,1|1,0,0]=3 314 B8R0.23 CC(C)[C@H](N)CC(=O)O A43501 [0,1,0,0,0,1|1,0,0]=3 315 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O A41340 [0,1,0,0,0,1|0,1,0]=3 316 B8R0.23 N[C@@H](CC(=O)O)C(=O)O A68901 [0,1,0,0,0,1|0,1,1]=4 317 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] A60886 [0,1,0,0,0,1|0,1,1]=4 318 B8R0.34 CC(C)(CN)CC(=O)O A60787 [0,1,0,0,0,1|2,0,0]=4 319 B8R0.34 CC(C)(CN)CC(=O)O A67050 [0,1,0,0,0,1|2,0,0]=4 320 B8R0.3 C=CC[C@H](N)C(=O)OC M37082 [0,2,0,0,0,0|1,0,0]=3 321 B8R0.3 CCC[C@@H](N)C(=O)OC M66692 [0,2,0,0,0,0|1,0,0]=3 322 B8R0.3 CCC[C@H](N)C(=O)OC M43489 [0,2,0,0,0,0|1,0,0]=3 323 B8R0.3 CCN[C@@H](C)C(=O)OC M32327 [0,2,0,0,0,0|2,0,0]=4 324 B8R0.3 CCOC(=O)[C@@H](Br)CBr E39185 [0,2,0,0,0,0|2,0,0]=4 325 B8R0.3 CCOC(=O)[C@@H](C)CC E43888 [0,2,0,0,0,0|2,0,0]=4 326 B8R0.3 CCOC(=O)[C@@H](N)CC E43491 [0,2,0,0,0,0|1,0,0]=3 327 B8R0.3 CCOC(=O)[C@@H](N)CO E69027 [0,2,0,0,0,0|0,1,0]=3 328 B8R0.3 CCOC(=O)[C@@H](N)CO S41337 [0,2,0,0,0,0|0,1,0]=3 329 B8R0.3 CCOC(=O)[C@@H](N)CS C64730 [0,2,0,0,0,0|0,0,0]=2 330 B8R0.3 CCOC(=O)[C@H](N)CO E69611 [0,2,0,0,0,0|0,1,0]=3 331 B8R0.3 COC[C@@H](N)C(=O)OC M38225 [0,2,0,0,0,0|0,1,0]=3 332 B8R0.8 C=CCC[C@H](N)C(=O)O A41502 [0,2,0,0,0,0|1,0,0]=3 333 B8R0.8 CC#CC[C@H](N)C(=O)O A32035 [0,2,0,0,0,0|1,0,0]=3 334 B8R0.8 CCCC[C@H](N)C(=O)O A68582 [0,2,0,0,0,0|1,0,0]=3 335 B8R0.8 CSCCC(O)C(=O)[O-] C54080 [0,2,0,0,0,0|1,0,1]=4 336 B8R0.8 CSCC[C@H](N)C(=O)O M60616 [0,2,0,0,0,0|0,0,0]=2 337 B8R0.12 C=CCC(C)(C)C(=O)O D38170 [0,2,0,0,0,0|2,0,0]=4 338 B8R0.12 C=CCC(F)(F)C(=O)O D68045 [0,2,0,0,0,0|2,0,0]=4 339 B8R0.13 COC(=O)C(C)(C)CN M43502 [0,2,0,0,0,0|2,0,0]=4 340 B8R0.13 COC(=O)C(C)(C)CO M39204 [0,2,0,0,0,0|1,1,0]=4 341 B8R0.20 COC(=O)C(CN)CN M41391 [0,2,0,0,0,0|1,0,0]=3 342 B8R0.36 CCC(N)(CC)C(=O)O A67712 [0,2,0,0,0,0|1,0,0]=3 343 B8R0.37 CC(C)[C@@](C)(N)C(=O)O A41587 [0,2,0,0,0,0|1,0,0]=3 344 B8R0.37 CC(C)[C@](C)(N)C(=O)O A24143 [0,2,0,0,0,0|1,0,0]=3 345 B8R0.37 CC(C)[C@](C)(N)C(N)=O A39208 [0,2,0,0,0,0|2,0,0]=4 346 B8R0.27 CC(C)(C)[C@H](N)C(=O)O A22282 [0,2,0,0,0,0|1,0,0]=3 347 B8R0.27 CC(C)(C)[C@H](N)C(=O)O A67484 [0,2,0,0,0,0|1,0,0]=3 348 B8R0.27 CC(C)(C)[C@H](N)C(N)=O A43510 [0,2,0,0,0,0|2,0,0]=4 349 B8R0.27 CC(C)(C)[C@H](O)C(=O)O H41560 [0,2,0,0,0,0|2,0,0]=4 350 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O A40416 [0,2,0,0,0,0|0,1,0]=3 351 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O A24088 [0,2,0,0,0,0|0,0,0]=2 352 B8R0.27 CC(C)(S)[C@H](N)C(=O)O A69092 [0,2,0,0,0,0|0,0,0]=2 353 B8R0.27 C[C@H](C(=O)O)C(F)(F)F T40172 [0,2,0,0,0,0|2,0,0]=4 354 B8R0.18 CC(C)[C@@H](CN)C(=O)O A41589 [0,2,0,0,0,0|1,0,0]=3 355 B8R0.18 CC(C)[C@H](CN)C(=O)O A41588 [0,2,0,0,0,0|1,0,0]=3 356 B8R0.18 CN[C@H](C(=O)O)C(C)C M60653 [0,2,0,0,0,0|1,0,0]=3 357 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O M68349 [0,2,0,0,0,0|0,1,0]=3 358 B6R1.2 O=C1C=CCC1 C26583 [1,0,0,1,0,0|2,0,0]=4 359 B6R1.2 O=C1CCNC1 P0198 [1,0,0,1,0,0|2,0,0]=4 360 B6R1.2 O=C1CCNN1 P39917 [1,0,0,1,0,0|2,0,0]=4 361 B6R1.2 O=C1CCOC1 X0391 [1,0,0,1,0,0|1,1,0]=4 362 B6R1.2 O=C1CCSC1 D10906 [1,0,0,1,0,0|1,0,0]=3 363 B6R1.5 CC1CC(=O)C1 M17286 [1,0,0,1,0,0|2,0,0]=4 364 B6R1.5 NC1CC(=O)C1 A0660 [1,0,0,1,0,0|2,0,0]=4 365 B6R1.5 O=C1CC(Br)C1 B8012 [1,0,0,1,0,0|2,0,0]=4 366 B6R1.5 O=C1CC(F)C1 F13109 [1,0,0,1,0,0|2,0,0]=4 367 B6R1.5 O=C1CC(O)C1 H10121 [1,0,0,1,0,0|1,1,0]=4 368 B6R1.11 O=C(O)C1CC1 C69104 [1,0,0,1,0,0|1,0,0]=3 369 B6R1.4 C[C@H]1COC1=O M6342 [1,0,0,1,0,0|1,1,0]=4 370 B6R1.4 N[C@@H]1CNC1=O A60450 [1,0,0,1,0,0|1,0,0]=3 371 B6R1.4 N[C@H]1CNC1=O A39918 [1,0,0,1,0,0|1,0,0]=3 372 B6R1.6 OCC1CSC1 T20107 [1,0,0,1,0,0|1,0,1]=4 373 B6R1.6 OC[C@@H]1CCN1 A11256 [1,0,0,1,0,0|1,0,1]=4 374 B6R1.6 OC[C@H]1CCN1 A11255 [1,0,0,1,0,0|1,0,1]=4 375 B6R1.6 OC[C@H]1CCN1 A11257 [1,0,0,1,0,0|1,0,1]=4 376 B6R1.7 NC1(CO)CC1 A1400 [1,0,0,1,0,0|1,0,1]=4 377 B6R1.7 NC1(CO)CC1 A16823 [1,0,0,1,0,0|1,0,1]=4 378 B8R1.1 NC[C@H]1COC(=O)N1 A13336 [0,0,0,1,0,1|2,0,0]=4 379 B8R1.1 O=C1N[C@@H](CI)CO1 K40211 [0,0,0,1,0,1|2,0,0]=4 380 B8R1.1 O=C1N[C@@H](CO)CO1 H62331 [0,0,0,1,0,1|1,1,0]=4 381 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [0,0,0,1,0,1|2,0,0]=4 382 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [0,0,0,1,0,1|2,0,0]=4 383 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O A30118 [0,0,0,1,0,1|2,0,0]=4 384 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O A13712 [0,0,0,1,0,1|1,0,0]=3 385 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O A13711 [0,0,0,1,0,1|1,0,0]=3 386 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O A13334 [0,0,0,1,0,1|1,0,0]=3 387 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A13518 [0,0,0,1,0,1|1,0,0]=3 388 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A29882 [0,0,0,1,0,1|1,0,0]=3 389 B8R1.31 O=C(O)C1CCC1F F59749 [0,0,0,1,0,1|2,0,0]=4 390 B8R1.34 O=C(O)CC1CCC1 C24745 [0,0,0,1,0,1|2,0,0]=4 391 B8R1.34 O=C(O)CC1CNC1 A10213 [0,0,0,1,0,1|2,0,0]=4 392 B8R1.34 O=C(O)CC1COC1 X6649 [0,0,0,1,0,1|1,1,0]=4 393 B8R1.5 N[C@@H]1CCCNC1=O A41314 [0,1,0,1,0,0|2,0,0]=4 394 B8R1.5 N[C@H]1CCCCC1=O A63504 [0,1,0,1,0,0|2,0,0]=4 395 B8R1.5 N[C@H]1CCCNC1=O A38933 [0,1,0,1,0,0|2,0,0]=4 396 B8R1.5 N[C@H]1CCCNC1=O A41313 [0,1,0,1,0,0|2,0,0]=4 397 B8R1.5 N[C@H]1CCCNC1=O A64847 [0,1,0,1,0,0|2,0,0]=4 398 B8R1.7 CC(=O)[C@H]1NCCS1 T41381 [0,1,0,1,0,0|2,0,0]=4 399 B8R1.7 NC(=O)[C@@H]1CCCN1 P23637 [0,1,0,1,0,0|2,0,0]=4 400 B8R1.7 NC(=O)[C@@H]1CCCN1 P64914 [0,1,0,1,0,0|2,0,0]=4 401 B8R1.7 NC(=O)[C@@H]1CCCN1 P67734 [0,1,0,1,0,0|2,0,0]=4 402 B8R1.7 NC(=O)[C@@H]1CCNC1 P0296 [0,1,0,1,0,0|2,0,0]=4 403 B8R1.7 NC(=O)[C@H]1CCCN1 P40370 [0,1,0,1,0,0|2,0,0]=4 404 B8R1.7 NC(=O)[C@H]1CCNC1 P0295 [0,1,0,1,0,0|2,0,0]=4 405 B8R1.7 NC(=O)[C@H]1CCNC1 P1146 [0,1,0,1,0,0|2,0,0]=4 406 B8R1.7 NC(=O)[C@H]1CCNC1 P7510 [0,1,0,1,0,0|2,0,0]=4 407 B8R1.7 NC(=O)[C@H]1CCNC1 P7511 [0,1,0,1,0,0|2,0,0]=4 408 B8R1.7 O=C(O)C1CC=CC1 C11537 [0,1,0,1,0,0|2,0,0]=4 409 B8R1.7 O=C(O)C1CCCC1 C23144 [0,1,0,1,0,0|2,0,0]=4 410 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41170 [0,1,0,1,0,0|1,0,1]=4 411 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41356 [0,1,0,1,0,0|1,0,1]=4 412 B8R1.7 O=C(O)[C@@H]1CCCN1 P69799 [0,1,0,1,0,0|1,0,0]=3 413 B8R1.7 O=C(O)[C@@H]1CCCO1 T37842 [0,1,0,1,0,0|2,0,0]=4 414 B8R1.7 O=C(O)[C@@H]1CCCO1 X25975 [0,1,0,1,0,0|2,0,0]=4 415 B8R1.7 O=C(O)[C@@H]1CCCS1 T41225 [0,1,0,1,0,0|2,0,0]=4 416 B8R1.7 O=C(O)[C@@H]1CCNC1 P12309 [0,1,0,1,0,0|1,0,0]=3 417 B8R1.7 O=C(O)[C@@H]1CCNC1 P6961 [0,1,0,1,0,0|1,0,0]=3 418 B8R1.7 O=C(O)[C@@H]1CCOC1 T1673 [0,1,0,1,0,0|1,1,0]=4 419 B8R1.7 O=C(O)[C@@H]1COCN1 X40338 [0,1,0,1,0,0|0,1,0]=3 420 B8R1.7 O=C(O)[C@H]1CCCO1 T25974 [0,1,0,1,0,0|2,0,0]=4 421 B8R1.7 O=C(O)[C@H]1CCNC1 P1152 [0,1,0,1,0,0|1,0,0]=3 422 B8R1.7 O=C(O)[C@H]1CCNC1 P1524 [0,1,0,1,0,0|1,0,0]=3 423 B8R1.7 O=C(O)[C@H]1CCNC1 P15767 [0,1,0,1,0,0|1,0,0]=3 424 B8R1.7 O=C(O)[C@H]1CCNC1 P41372 [0,1,0,1,0,0|1,0,0]=3 425 B8R1.7 O=C(O)[C@H]1CCOC1 T0394 [0,1,0,1,0,0|1,1,0]=4 426 B8R1.7 O=C(O)[C@H]1CCOC1 T0395 [0,1,0,1,0,0|1,1,0]=4 427 B8R1.7 O=C(O)[C@H]1CSCN1 T63317 [0,1,0,1,0,0|0,0,0]=2 428 B8R1.23 C=C1CC(C(=O)O)C1 M10240 [0,1,0,1,0,0|2,0,0]=4 429 B8R1.23 CC1CC(C(=O)O)C1 M14949 [0,1,0,1,0,0|2,0,0]=4 430 B8R1.23 CN1CC(C(=O)O)C1 M0190 [0,1,0,1,0,0|2,0,0]=4 431 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 M10526 [0,1,0,1,0,0|2,0,0]=4 432 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 M10527 [0,1,0,1,0,0|2,0,0]=4 433 B8R1.23 NC1CC(C(=O)O)C1 A12181 [0,1,0,1,0,0|2,0,0]=4 434 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 A0232 [0,1,0,1,0,0|2,0,0]=4 435 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SB7470 [0,1,0,1,0,0|2,0,0]=4 436 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 A0233 [0,1,0,1,0,0|2,0,0]=4 437 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SB7471 [0,1,0,1,0,0|2,0,0]=4 438 B8R1.23 O=C(O)C1CC(Cl)C1 C15268 [0,1,0,1,0,0|2,0,0]=4 439 B8R1.23 O=C(O)C1CC(F)C1 F0317 [0,1,0,1,0,0|2,0,0]=4 440 B8R1.23 O=C(O)C1CC(O)C1 H12369 [0,1,0,1,0,0|1,1,0]=4 441 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 F59936 [0,1,0,1,0,0|2,0,0]=4 442 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 H11727 [0,1,0,1,0,0|1,1,0]=4 443 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 C29816 [0,1,0,1,0,0|2,0,0]=4 444 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 F60295 [0,1,0,1,0,0|2,0,0]=4 445 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 H14950 [0,1,0,1,0,0|1,1,0]=4 446 B8R1.23 O=C1CC(C(=O)O)C1 X1338 [0,1,0,1,0,0|1,1,0]=4 447 B8R1.23 O=C1C[C@@H](C(=O)O)N1 X14543 [0,1,0,1,0,0|0,1,0]=3 448 B8R1.30 C=C1C[C@]1(N)C(=O)O A65491 [0,1,0,1,0,0|1,0,0]=3 449 B8R1.54 N[C@@H](C(=O)O)C1CC1 A11037 [0,1,0,1,0,0|1,0,0]=3 450 B8R1.54 N[C@H](C(=O)O)C1CC1 A67725 [0,1,0,1,0,0|1,0,0]=3 451 B8R1.78 CC1(C(=O)O)CCC1 M11732 [0,1,0,1,0,0|2,0,0]=4 452 B8R1.78 CC1(C(=O)O)CNC1 M29556 [0,1,0,1,0,0|2,0,0]=4 453 B8R1.78 CC1(C(=O)O)COC1 M6214 [0,1,0,1,0,0|1,1,0]=4 454 B8R1.78 NC1(C(=O)O)CCC1 A10609 [0,1,0,1,0,0|1,0,0]=3 455 B8R1.78 NC1(C(=O)O)CCC1 A26979 [0,1,0,1,0,0|1,0,0]=3 456 B8R1.78 NC1(C(=O)O)CNC1 A6058 [0,1,0,1,0,0|1,0,0]=3 457 B8R1.78 NC1(C(=O)O)COC1 A5828 [0,1,0,1,0,0|0,1,0]=3 458 B8R1.78 O=C(O)C1(F)CNC1 F11481 [0,1,0,1,0,0|2,0,0]=4 459 B8R1.78 O=C(O)C1(O)COC1 H60052 [0,1,0,1,0,0|1,1,0]=4 460 B8R1.11 N#C[C@H]1CSCC1=O X13820 [0,1,0,1,0,0|1,0,1]=4 461 B8R1.38 COC(=O)C1CNC1 M5857 [0,1,0,1,0,0|2,0,0]=4 462 B8R1.38 COC(=O)C1COC1 M15764 [0,1,0,1,0,0|1,1,0]=4 463 B8R1.38 COC(=O)[C@@H]1CCN1 M11233 [0,1,0,1,0,0|1,0,0]=3 464 B8R1.38 COC(=O)[C@@H]1CCN1 M11611 [0,1,0,1,0,0|1,0,0]=3 465 B8R1.38 COC(=O)[C@H]1CCN1 M11612 [0,1,0,1,0,0|1,0,0]=3 466 B8R1.39 COC(=O)C1(Br)CC1 M38537 [0,1,0,1,0,0|2,0,0]=4 467 B8R1.39 COC(=O)C1(N)CC1 M13766 [0,1,0,1,0,0|1,0,0]=3 468 B8R1.39 COC(=O)C1(N)CC1 M25083 [0,1,0,1,0,0|1,0,0]=3 469 B8R1.39 COC(=O)C1(O)CC1 M23123 [0,1,0,1,0,0|2,0,0]=4 470 B8R1.50 O=C1OC[C@@H](O)[C@H]1O D40215 [0,1,0,1,0,0|1,1,0]=4 471 B8R1.63 C#CC1(C(=O)O)CC1 E42939 [0,1,0,1,0,0|2,0,0]=4 472 B8R1.63 CCC1(C(=O)O)CC1 E29679 [0,1,0,1,0,0|2,0,0]=4 473 B8R1.63 N#CC1(C(=O)O)CC1 C24923 [0,1,0,1,0,0|1,0,1]=4 474 B8R1.77 CC1(C)C[C@@H]1C(=O)O D19962 [0,1,0,1,0,0|2,0,0]=4 475 B8R1.77 CC1(C)C[C@@H]1C(=O)O D25255 [0,1,0,1,0,0|2,0,0]=4 476 B8R1.77 O=C(O)[C@@H]1CC1(F)F D31144 [0,1,0,1,0,0|2,0,0]=4 477 B8R1.77 O=C(O)[C@H]1CC1(F)F D13358 [0,1,0,1,0,0|2,0,0]=4