0 B5R0.5 CC(=O)C(=O)O 01522 [0,0,0,0,0,0|0,0,2]=2 1 B5R0.5 CC(=O)C(=O)[O-] 01189 [0,0,0,0,0,0|0,0,3]=3 2 B5R0.5 CC(=O)C(C)O 02002 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.5 CC(=O)N(C)C 02302 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.5 CC(Br)C(=O)O 24474 [0,0,0,0,0,0|1,0,0]=1 5 B5R0.5 CC(C)B(O)O 28500 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.5 CC(N)C(=O)O 00017 [0,0,0,0,0,0|1,0,0]=1 7 B5R0.5 CC(O)C(=O)O 32027 [0,0,0,0,0,0|0,0,0]=0 8 B5R0.5 CC(O)C(=O)[O-] 01614 [0,0,0,0,0,0|0,0,1]=1 9 B5R0.5 CC(O)C(=O)[O-] 26499 [0,0,0,0,0,0|0,0,1]=1 10 B5R0.5 CN(C)C(=N)N 27353 [0,0,0,0,0,0|4,0,0]=4 11 B5R0.5 CN(C)C(N)=O 21201 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.5 C[C@@H](Cl)C(=O)O 09842 [0,0,0,0,0,0|1,0,0]=1 13 B5R0.5 C[C@@H](N)C(=O)O 00016 [0,0,0,0,0,0|1,0,0]=1 14 B5R0.5 C[C@@H](N)C(=O)O 00221 [0,0,0,0,0,0|1,0,0]=1 15 B5R0.5 C[C@@H](N)C(N)=O 03011 [0,0,0,0,0,0|2,0,0]=2 16 B5R0.5 C[C@@H](O)C(=O)O 08023 [0,0,0,0,0,0|0,0,0]=0 17 B5R0.5 C[C@H](Cl)C(=O)O 09905 [0,0,0,0,0,0|1,0,0]=1 18 B5R0.5 C[C@H](N)C(=O)O 00019 [0,0,0,0,0,0|1,0,0]=1 19 B5R0.5 C[C@H](N)C(=O)O 26711 [0,0,0,0,0,0|1,0,0]=1 20 B5R0.5 C[C@H](N)C(=O)O 26712 [0,0,0,0,0,0|1,0,0]=1 21 B5R0.5 C[C@H](N)C(N)=O 03010 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.5 C[C@H](N)C(N)=O 05831 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.5 C[C@H](N)C(N)=O 05832 [0,0,0,0,0,0|2,0,0]=2 24 B5R0.5 C[C@H](O)C(=O)O 21919 [0,0,0,0,0,0|0,0,0]=0 25 B5R0.5 C[C@H](O)C(=O)[O-] 00420 [0,0,0,0,0,0|0,0,1]=1 26 B5R0.5 NC(=O)C(=O)[O-] 00374 [0,0,0,0,0,0|1,0,3]=4 27 B5R0.5 NC(=O)C(N)=O 27158 [0,0,0,0,0,0|2,0,2]=4 28 B5R0.5 O=C(Cl)C(=O)Cl 29567 [0,0,0,0,0,0|2,0,2]=4 29 B5R0.5 O=C(O)C(=O)O 00328 [0,0,0,0,0,0|1,0,1]=2 30 B5R0.5 O=C(O)C(=O)O 01241 [0,0,0,0,0,0|1,0,1]=2 31 B5R0.5 O=C(O)C(Cl)Cl 00504 [0,0,0,0,0,0|2,0,0]=2 32 B5R0.5 O=C(O)C(F)F 24475 [0,0,0,0,0,0|2,0,0]=2 33 B5R0.5 O=C([O-])C(=O)[O-] 01252 [0,0,0,0,0,0|1,0,3]=4 34 B5R0.5 O=C([O-])C(=O)[O-] 01267 [0,0,0,0,0,0|1,0,3]=4 35 B5R0.5 O=C([O-])C(=O)[O-] 26493 [0,0,0,0,0,0|1,0,3]=4 36 B4R0.1 C#CC(C)N 18527 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 C=C(C)CN 22406 [1,0,0,0,0,0|3,0,0]=4 38 B4R0.1 C=CC(N)=O 00004 [1,0,0,0,0,0|1,0,2]=4 39 B4R0.1 CC(=O)O[Ag] 27325 [1,0,0,0,0,0|3,0,0]=4 40 B4R0.1 CC(=O)O[TlH2] 01944 [1,0,0,0,0,0|3,0,0]=4 41 B4R0.1 CC(C)NN 31308 [1,0,0,0,0,0|3,0,0]=4 42 B4R0.1 CC(C)NO 31263 [1,0,0,0,0,0|2,0,0]=3 43 B4R0.1 CC(O)CO 02837 [1,0,0,0,0,0|0,0,1]=2 44 B4R0.1 CC(O)CO 30099 [1,0,0,0,0,0|0,0,1]=2 45 B4R0.1 CCC(=O)O 01518 [1,0,0,0,0,0|0,0,0]=1 46 B4R0.1 CCC(=O)O 30086 [1,0,0,0,0,0|0,0,0]=1 47 B4R0.1 CCC(=O)[O-] 01519 [1,0,0,0,0,0|0,0,1]=2 48 B4R0.1 CN(C)C=O 00575 [1,0,0,0,0,0|2,0,0]=3 49 B4R0.1 CN(C)C=O 30143 [1,0,0,0,0,0|2,0,0]=3 50 B4R0.1 CNC(C)=O 27186 [1,0,0,0,0,0|2,0,0]=3 51 B4R0.1 COC(C)=N 02332 [1,0,0,0,0,0|3,0,0]=4 52 B4R0.1 CSC(=N)N 29498 [1,0,0,0,0,0|3,0,0]=4 53 B4R0.1 C[C@@H](N)CO 03170 [1,0,0,0,0,0|1,0,1]=3 54 B4R0.1 C[C@@H](O)CN 16633 [1,0,0,0,0,0|1,0,1]=3 55 B4R0.1 C[C@H](N)CO 03169 [1,0,0,0,0,0|1,0,1]=3 56 B4R0.1 C[C@H](O)CN 16632 [1,0,0,0,0,0|1,0,1]=3 57 B4R0.1 C[N+](C)=CCl 30327 [1,0,0,0,0,0|3,0,0]=4 58 B4R0.1 NC(=O)CBr 00841 [1,0,0,0,0,0|2,0,0]=3 59 B4R0.1 NC(=O)CI 02327 [1,0,0,0,0,0|2,0,0]=3 60 B4R0.1 NC(=O)CO 22515 [1,0,0,0,0,0|1,0,0]=2 61 B4R0.1 NC(=O)NO 24533 [1,0,0,0,0,0|2,0,0]=3 62 B4R0.1 NCC(=O)O 00163 [1,0,0,0,0,0|1,0,0]=2 63 B4R0.1 NCC(=O)O 00164 [1,0,0,0,0,0|1,0,0]=2 64 B4R0.1 NCC(=O)O 32005 [1,0,0,0,0,0|1,0,0]=2 65 B4R0.1 NCC(=O)[O-] 21750 [1,0,0,0,0,0|1,0,1]=3 66 B4R0.1 NCC(N)=O 01302 [1,0,0,0,0,0|2,0,0]=3 67 B4R0.1 NCC(N)=O 06066 [1,0,0,0,0,0|2,0,0]=3 68 B4R0.1 NNC(N)=O 21889 [1,0,0,0,0,0|3,0,0]=4 69 B4R0.1 O=C(O)CBr 26843 [1,0,0,0,0,0|1,0,0]=2 70 B4R0.1 O=C(O)CCl 32016 [1,0,0,0,0,0|1,0,0]=2 71 B4R0.1 O=C(O)CS 01637 [1,0,0,0,0,0|0,1,0]=2 72 B4R0.1 O=C([O-])CS 00276 [1,0,0,0,0,0|0,1,1]=3 73 B6R0.3 C=CC(=O)N(C)C 30343 [0,1,0,0,0,0|3,0,0]=4 74 B6R0.3 CC(C)[C@@H](N)CO 05378 [0,1,0,0,0,0|2,0,1]=4 75 B6R0.3 CC(C)[C@H](N)CO 03236 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.3 CC(C)[C@H](N)CO 21447 [0,1,0,0,0,0|2,0,1]=4 77 B6R0.3 CC(CN)C(=O)O 21653 [0,1,0,0,0,0|1,0,0]=2 78 B6R0.3 CCC(=O)C(=O)[O-] 00470 [0,1,0,0,0,0|0,0,3]=4 79 B6R0.3 CCC(O)C(=O)[O-] 21649 [0,1,0,0,0,0|0,0,1]=2 80 B6R0.3 CC[C@@H](N)C(=O)O 00806 [0,1,0,0,0,0|1,0,0]=2 81 B6R0.3 CC[C@H](N)C(=O)O 01432 [0,1,0,0,0,0|1,0,0]=2 82 B6R0.3 CC[C@H](N)C(N)=O 05812 [0,1,0,0,0,0|2,0,0]=3 83 B6R0.3 CC[C@H](N)C(N)=O 11653 [0,1,0,0,0,0|2,0,0]=3 84 B6R0.3 CC[C@H](O)C(=O)O 21126 [0,1,0,0,0,0|0,0,0]=1 85 B6R0.3 CN(C)C(=O)CN 06069 [0,1,0,0,0,0|3,0,0]=4 86 B6R0.3 CN(C)C(=O)CN 14018 [0,1,0,0,0,0|3,0,0]=4 87 B6R0.3 CNC(=O)[C@H](C)N 05833 [0,1,0,0,0,0|2,0,0]=3 88 B6R0.3 CNC(C)C(=O)O 06342 [0,1,0,0,0,0|1,0,0]=2 89 B6R0.3 CN[C@@H](C)C(=O)O 02647 [0,1,0,0,0,0|1,0,0]=2 90 B6R0.3 CN[C@H](C)C(=O)O 04405 [0,1,0,0,0,0|1,0,0]=2 91 B6R0.3 COC(=N)C(C)C 24297 [0,1,0,0,0,0|2,0,0]=3 92 B6R0.3 COC(=O)C(C)N 06029 [0,1,0,0,0,0|1,0,0]=2 93 B6R0.3 COC(=O)[C@@H](C)N 03016 [0,1,0,0,0,0|1,0,0]=2 94 B6R0.3 COC(=O)[C@H](C)N 02890 [0,1,0,0,0,0|1,0,0]=2 95 B6R0.3 COC(C)C(C)O 14429 [0,1,0,0,0,0|1,0,1]=3 96 B6R0.3 CON(C)C(C)=O 31364 [0,1,0,0,0,0|2,0,0]=3 97 B6R0.3 C[C@@H](O)[C@@H](N)CO 05647 [0,1,0,0,0,0|1,0,1]=3 98 B6R0.3 C[C@@H](O)[C@H](N)CO 06286 [0,1,0,0,0,0|1,0,1]=3 99 B6R0.3 C[C@H](O)[C@@H](N)CO 12030 [0,1,0,0,0,0|1,0,1]=3 100 B6R0.3 C[C@H](O)[C@H](N)CO 06282 [0,1,0,0,0,0|1,0,1]=3 101 B6R0.3 NC(=O)[C@@H](N)CO 09121 [0,1,0,0,0,0|2,0,0]=3 102 B6R0.3 NC(CCl)C(=O)O 06231 [0,1,0,0,0,0|1,0,0]=2 103 B6R0.3 NC(CF)C(=O)O 07044 [0,1,0,0,0,0|1,0,0]=2 104 B6R0.3 NC(CO)C(=O)O 00556 [0,1,0,0,0,0|1,0,0]=2 105 B6R0.3 NC(CS)C(=O)O 21500 [0,1,0,0,0,0|1,0,0]=2 106 B6R0.3 NC(CS)C(=O)O 21624 [0,1,0,0,0,0|1,0,0]=2 107 B6R0.3 NC(CS)C(=O)O 21654 [0,1,0,0,0,0|1,0,0]=2 108 B6R0.3 NCC(N)C(=O)O 21559 [0,1,0,0,0,0|1,0,0]=2 109 B6R0.3 NCC(O)C(=O)O 07068 [0,1,0,0,0,0|0,0,0]=1 110 B6R0.3 NC[C@@H](N)C(=O)O 05645 [0,1,0,0,0,0|1,0,0]=2 111 B6R0.3 NC[C@H](N)C(=O)O 01314 [0,1,0,0,0,0|1,0,0]=2 112 B6R0.3 N[C@@H](CCl)C(=O)O 06226 [0,1,0,0,0,0|1,0,0]=2 113 B6R0.3 N[C@@H](CCl)C(=O)O 06227 [0,1,0,0,0,0|1,0,0]=2 114 B6R0.3 N[C@@H](CO)C(=O)O 00279 [0,1,0,0,0,0|1,0,0]=2 115 B6R0.3 N[C@@H](CS)C(=O)O 00085 [0,1,0,0,0,0|1,0,0]=2 116 B6R0.3 N[C@@H](CS)C(=O)O 00087 [0,1,0,0,0,0|1,0,0]=2 117 B6R0.3 N[C@@H](CS)C(=O)O 00437 [0,1,0,0,0,0|1,0,0]=2 118 B6R0.3 N[C@@H](CS)C(=O)O 24758 [0,1,0,0,0,0|1,0,0]=2 119 B6R0.3 N[C@@H](CS)C(=O)O 31108 [0,1,0,0,0,0|1,0,0]=2 120 B6R0.3 N[C@H](CCl)C(=O)O 06229 [0,1,0,0,0,0|1,0,0]=2 121 B6R0.3 N[C@H](CO)C(=O)O 00262 [0,1,0,0,0,0|1,0,0]=2 122 B6R0.3 N[C@H](CS)C(=O)O 00086 [0,1,0,0,0,0|1,0,0]=2 123 B6R0.3 N[C@H](CS)C(=O)O 21754 [0,1,0,0,0,0|1,0,0]=2 124 B6R0.7 CC(C)(C)S(N)=O 31460 [0,1,0,0,0,0|3,0,0]=4 125 B6R0.7 CC(C)(C)[S@@](N)=O 31474 [0,1,0,0,0,0|3,0,0]=4 126 B6R0.7 CC(C)(C)[S@](N)=O 29747 [0,1,0,0,0,0|3,0,0]=4 127 B6R0.7 CC(C)(N)C(=O)O 02864 [0,1,0,0,0,0|1,0,0]=2 128 B6R0.7 CC(C)(O)C(=O)O 14074 [0,1,0,0,0,0|0,0,0]=1 129 B6R0.7 CC(C)S(=O)(=O)[O-] 22910 [0,1,0,0,0,0|2,0,1]=4 130 B6R0.7 NC(=O)C(F)(F)F 00290 [0,1,0,0,0,0|3,0,0]=4 131 B6R0.7 O=C(O)C(Cl)(Cl)Cl 00820 [0,1,0,0,0,0|2,0,0]=3 132 B6R0.7 O=C(O)C(F)(F)F 00289 [0,1,0,0,0,0|2,0,0]=3 133 B6R0.7 O=C(O)C(F)(F)F 02883 [0,1,0,0,0,0|2,0,0]=3 134 B6R1.11 N=C(N)C1CC1 31280 [0,0,0,1,0,0|3,0,0]=4 135 B6R0.2 CC(=O)CC(C)=O 02346 [0,0,0,0,0,1|1,0,2]=4 136 B6R0.2 CC(=O)OC(C)=O 00819 [0,0,0,0,0,1|1,0,2]=4 137 B6R0.2 CC(=O)OC(C)=O 30148 [0,0,0,0,0,1|1,0,2]=4 138 B6R0.2 CC(N)CC(=O)O 21614 [0,0,0,0,0,1|1,0,0]=2 139 B6R0.2 CC(O)CC(=O)[O-] 22037 [0,0,0,0,0,1|0,0,1]=2 140 B6R0.2 C[C@@H](N)CC(=O)O 16636 [0,0,0,0,0,1|1,0,0]=2 141 B6R0.2 C[C@H](N)CC(=O)O 12762 [0,0,0,0,0,1|1,0,0]=2 142 B6R0.2 C[C@H](N)CC(=O)O 21056 [0,0,0,0,0,1|1,0,0]=2 143 B6R0.2 O=C(O)CC(=O)O 02873 [0,0,0,0,0,1|1,0,1]=3 144 B3R0.1 CCON 27342 [2,0,0,0,0,0|2,0,0]=4 145 B3R0.1 NCCO 01169 [2,0,0,0,0,0|1,0,1]=4 146 B3R0.1 NCCO 01731 [2,0,0,0,0,0|1,0,1]=4 147 B3R0.1 NCCO 30090 [2,0,0,0,0,0|1,0,1]=4 148 B3R0.1 OCCO 02069 [2,0,0,0,0,0|0,0,1]=3 149 B3R0.2 C=[N+](C)C 31541 [2,0,0,0,0,0|2,0,0]=4 150 B3R0.2 CC(=N)N 27346 [2,0,0,0,0,0|2,0,0]=4 151 B3R0.2 CC(=O)O 00594 [2,0,0,0,0,0|0,0,0]=2 152 B3R0.2 CC(=O)O 02028 [2,0,0,0,0,0|0,0,0]=2 153 B3R0.2 CC(=O)O 21997 [2,0,0,0,0,0|0,0,0]=2 154 B3R0.2 CC(=O)O 30173 [2,0,0,0,0,0|0,0,0]=2 155 B3R0.2 CC(=O)[O-] 00266 [2,0,0,0,0,0|0,0,1]=3 156 B3R0.2 CC(=O)[O-] 01243 [2,0,0,0,0,0|0,0,1]=3 157 B3R0.2 CC(=O)[O-] 01258 [2,0,0,0,0,0|0,0,1]=3 158 B3R0.2 CC(=O)[O-] 26484 [2,0,0,0,0,0|0,0,1]=3 159 B3R0.2 CC(=O)[O-] 26485 [2,0,0,0,0,0|0,0,1]=3 160 B3R0.2 CC(=O)[O-] 29853 [2,0,0,0,0,0|0,0,1]=3 161 B3R0.2 CC(=O)[O-] 29854 [2,0,0,0,0,0|0,0,1]=3 162 B3R0.2 CC(=O)[O-] 30055 [2,0,0,0,0,0|0,0,1]=3 163 B3R0.2 CC(=O)[O-] 30594 [2,0,0,0,0,0|0,0,1]=3 164 B3R0.2 CC(=O)[O-] 30668 [2,0,0,0,0,0|0,0,1]=3 165 B3R0.2 CC(=O)[O-] 30684 [2,0,0,0,0,0|0,0,1]=3 166 B3R0.2 CC(=O)[O-] 31631 [2,0,0,0,0,0|0,0,1]=3 167 B3R0.2 CC(C)=O 02889 [2,0,0,0,0,0|1,0,0]=3 168 B3R0.2 CC(C)=O 30101 [2,0,0,0,0,0|1,0,0]=3 169 B3R0.2 CC(C)I 00790 [2,0,0,0,0,0|1,0,1]=4 170 B3R0.2 CC(N)=O 06814 [2,0,0,0,0,0|1,0,0]=3 171 B3R0.2 CC(N)=S 02358 [2,0,0,0,0,0|1,1,0]=4 172 B3R0.2 CC(N)=S 30174 [2,0,0,0,0,0|1,1,0]=4 173 B3R0.2 CS(C)=O 00635 [2,0,0,0,0,0|2,0,0]=4 174 B3R0.2 CS(C)=O 30145 [2,0,0,0,0,0|2,0,0]=4 175 B3R0.2 NC(N)=O 00309 [2,0,0,0,0,0|2,0,0]=4 176 B3R0.2 NC(N)=O 00561 [2,0,0,0,0,0|2,0,0]=4 177 B3R0.2 NC(N)=O 30137 [2,0,0,0,0,0|2,0,0]=4 178 B3R0.2 NC(N)=O 30142 [2,0,0,0,0,0|2,0,0]=4 179 B3R0.2 O=C(O)O 01206 [2,0,0,0,0,0|0,0,0]=2 180 B3R0.2 O=C(O)O 01682 [2,0,0,0,0,0|0,0,0]=2 181 B3R0.2 O=C(O)O 32014 [2,0,0,0,0,0|0,0,0]=2 182 B3R0.2 O=C([O-])O 00084 [2,0,0,0,0,0|0,0,1]=3 183 B3R0.2 O=C([O-])O 01244 [2,0,0,0,0,0|0,0,1]=3 184 B3R0.2 O=C([O-])O 26477 [2,0,0,0,0,0|0,0,1]=3 185 B3R0.2 O=C([O-])O 29263 [2,0,0,0,0,0|0,0,1]=3 186 B3R0.2 O=C([O-])O 30079 [2,0,0,0,0,0|0,0,1]=3 187 B3R0.2 O=C([O-])O 30129 [2,0,0,0,0,0|0,0,1]=3 188 B3R0.2 O=C([O-])[O-] 01219 [2,0,0,0,0,0|0,0,2]=4 189 B3R0.2 O=C([O-])[O-] 01227 [2,0,0,0,0,0|0,0,2]=4 190 B3R0.2 O=C([O-])[O-] 01246 [2,0,0,0,0,0|0,0,2]=4 191 B3R0.2 O=C([O-])[O-] 01261 [2,0,0,0,0,0|0,0,2]=4 192 B3R0.2 O=C([O-])[O-] 01955 [2,0,0,0,0,0|0,0,2]=4 193 B3R0.2 O=C([O-])[O-] 15134 [2,0,0,0,0,0|0,0,2]=4 194 B3R0.2 O=C([O-])[O-] 22919 [2,0,0,0,0,0|0,0,2]=4 195 B3R0.2 O=C([O-])[O-] 26480 [2,0,0,0,0,0|0,0,2]=4 196 B3R0.2 O=C([O-])[O-] 30109 [2,0,0,0,0,0|0,0,2]=4 197 B3R0.2 O=C([O-])[O-] 30122 [2,0,0,0,0,0|0,0,2]=4 198 B3R0.2 O=C([O-])[O-] 30155 [2,0,0,0,0,0|0,0,2]=4 199 B3R0.2 O=C([O-])[O-] 30159 [2,0,0,0,0,0|0,0,2]=4 200 B3R0.2 O=C([O-])[O-] 30237 [2,0,0,0,0,0|0,0,2]=4 201 B3R0.2 O=C([O-])[O-] 30238 [2,0,0,0,0,0|0,0,2]=4 202 B3R0.2 O=C([O-])[O-] 30239 [2,0,0,0,0,0|0,0,2]=4 203 B3R0.2 O=C([O-])[O-] 30250 [2,0,0,0,0,0|0,0,2]=4 204 B3R0.2 O=C([O-])[O-] 30276 [2,0,0,0,0,0|0,0,2]=4 205 B3R0.2 O=C([O-])[O-] 30286 [2,0,0,0,0,0|0,0,2]=4 206 B3R0.2 O=C([O-])[O-] 30299 [2,0,0,0,0,0|0,0,2]=4 207 B3R0.2 O=C([O-])[O-] 30300 [2,0,0,0,0,0|0,0,2]=4 208 B3R0.2 O=C([O-])[O-] 30574 [2,0,0,0,0,0|0,0,2]=4 209 B3R0.2 O=C([O-])[O-] 30584 [2,0,0,0,0,0|0,0,2]=4 210 B3R0.2 O=C([O-])[O-] 30592 [2,0,0,0,0,0|0,0,2]=4 211 B3R0.2 O=C([O-])[O-] 30608 [2,0,0,0,0,0|0,0,2]=4 212 B3R0.2 O=C([O-])[O-] 30618 [2,0,0,0,0,0|0,0,2]=4 213 B3R0.2 O=C([O-])[O-] 30619 [2,0,0,0,0,0|0,0,2]=4 214 B3R0.2 O=C([O-])[O-] 30620 [2,0,0,0,0,0|0,0,2]=4 215 B3R0.2 O=C([O-])[O-] 30660 [2,0,0,0,0,0|0,0,2]=4 216 B3R0.2 O=C([O-])[O-] 32037 [2,0,0,0,0,0|0,0,2]=4 217 B3R0.2 O=I(=O)O 30208 [2,0,0,0,0,0|1,0,1]=4 218 B3R0.2 O=I(=O)O 32026 [2,0,0,0,0,0|1,0,1]=4 219 B3R0.2 O=P(=O)O 32042 [2,0,0,0,0,0|1,0,1]=4 220 B3R0.2 O=S(O)O 27608 [2,0,0,0,0,0|1,0,0]=3 221 B3R0.2 O=S([O-])O 01644 [2,0,0,0,0,0|1,0,1]=4 222 B3R0.2 O=[N+]([O-])O 00022 [2,0,0,0,0,0|1,0,1]=4 223 B3R0.2 O=[N+]([O-])O 01678 [2,0,0,0,0,0|1,0,1]=4 224 B3R0.2 O=[N+]([O-])O 24617 [2,0,0,0,0,0|1,0,1]=4 225 B3R0.2 O=[N+]([O-])O 30119 [2,0,0,0,0,0|1,0,1]=4 226 B3R0.2 O=[N+]([O-])O 30179 [2,0,0,0,0,0|1,0,1]=4 227 B3R0.2 O=[Se](O)O 02887 [2,0,0,0,0,0|1,0,0]=3 228 B3R0.2 O=[V](=O)O 01434 [2,0,0,0,0,0|1,0,1]=4 229 B3R0.2 O=[V](=O)O 31761 [2,0,0,0,0,0|1,0,1]=4 230 B3R0.2 OB(O)O 00686 [2,0,0,0,0,0|1,0,1]=4 231 B3R0.2 OB(O)O 30146 [2,0,0,0,0,0|1,0,1]=4 232 B3R0.2 O[Au](O)O 27656 [2,0,0,0,0,0|1,0,1]=4 233 B3R0.2 O[Bi](O)O 30569 [2,0,0,0,0,0|1,0,1]=4 234 B5R0.1 C#CCC(=O)O 28620 [1,1,0,0,0,0|0,0,1]=3 235 B5R0.1 CC(=O)NCO 02319 [1,1,0,0,0,0|1,0,0]=3 236 B5R0.1 CCOC(C)=O 00757 [1,1,0,0,0,0|1,0,0]=3 237 B5R0.1 CCOC(C)=O 30066 [1,1,0,0,0,0|1,0,0]=3 238 B5R0.1 CCOC(N)=O 27154 [1,1,0,0,0,0|1,0,0]=3 239 B5R0.1 CNCC(=O)O 01319 [1,1,0,0,0,0|0,0,0]=2 240 B5R0.1 CNCC(N)=O 06366 [1,1,0,0,0,0|1,0,0]=3 241 B5R0.1 C\C=C\C(=O)O 26844 [1,1,0,0,0,0|0,0,1]=3 242 B5R0.1 N#CCC(=O)O 14385 [1,1,0,0,0,0|0,0,1]=3 243 B5R0.1 N#CCC(N)=O 27159 [1,1,0,0,0,0|1,0,1]=4 244 B5R0.1 NCCC(=O)O 00324 [1,1,0,0,0,0|0,0,0]=2 245 B5R0.1 NCCC(N)=O 04406 [1,1,0,0,0,0|1,0,0]=3 246 B5R0.1 O=C(O)CCBr 24459 [1,1,0,0,0,0|0,0,0]=2 247 B5R0.1 O=C(O)\C=C/Br 16527 [1,1,0,0,0,0|0,0,2]=4 248 B5R0.1 O=C(O)\C=C/I 16560 [1,1,0,0,0,0|0,0,2]=4 249 B5R0.3 CNC(=O)CN 03070 [1,1,0,0,0,0|2,0,0]=4 250 B5R0.3 CNC(=O)NC 02542 [1,1,0,0,0,0|2,0,0]=4 251 B5R0.3 COC(=O)CBr 14023 [1,1,0,0,0,0|1,0,0]=3 252 B5R0.3 COC(=O)CN 03074 [1,1,0,0,0,0|1,0,0]=3 253 B5R0.3 NC(CO)CO 31958 [1,1,0,0,0,0|1,0,1]=4 254 B5R0.3 NCC(O)CO 31959 [1,1,0,0,0,0|0,0,1]=3 255 B5R0.3 O=C(O[Ag])O[Ag] 26884 [1,1,0,0,0,0|2,0,0]=4 256 B5R0.3 O=C(O[Ag])O[Ag] 29515 [1,1,0,0,0,0|2,0,0]=4 257 B5R0.3 O=CC(O)CO 20937 [1,1,0,0,0,0|0,0,0]=2 258 B5R0.3 O=C[C@H](O)CO 21212 [1,1,0,0,0,0|0,0,0]=2 259 B5R0.3 OC(CCl)CCl 26763 [1,1,0,0,0,0|1,0,1]=4 260 B5R0.3 OCC(O)CO 00599 [1,1,0,0,0,0|0,0,1]=3 261 B5R0.3 OCC(O)CO 30144 [1,1,0,0,0,0|0,0,1]=3 262 B5R0.3 OCC(O)CS 00691 [1,1,0,0,0,0|0,0,1]=3 263 B5R0.4 CC(C)(C)NO 31262 [1,1,0,0,0,0|2,0,0]=4 264 B5R0.4 CC(C)(N)CO 00681 [1,1,0,0,0,0|1,0,1]=4 265 B5R0.4 CC(C)(N)CO 01156 [1,1,0,0,0,0|1,0,1]=4 266 B5R0.4 NCS(=O)(=O)O 01967 [1,1,0,0,0,0|2,0,0]=4 267 B7R0.2 CC(=O)\C=C(\C)O[Rh] 27231 [0,1,0,0,0,1|1,0,1]=4 268 B7R0.2 CC(C)OC(=O)CN 12060 [0,1,0,0,0,1|2,0,0]=4 269 B7R0.2 CCC(=O)\C=C(/C)O 24068 [0,1,0,0,0,1|1,0,1]=4 270 B7R0.2 COC(=O)\C=C(/C)N 27821 [0,1,0,0,0,1|1,0,1]=4 271 B7R0.2 COC(C)CC(C)O 14430 [0,1,0,0,0,1|1,0,1]=4 272 B7R0.2 NCC(O)CC(=O)O 12034 [0,1,0,0,0,1|0,0,0]=2 273 B7R0.2 N[C@@H](CO)CC(=O)O 12753 [0,1,0,0,0,1|1,0,0]=3 274 B7R0.2 N[C@H](CO)CC(=O)O 15222 [0,1,0,0,0,1|1,0,0]=3 275 B7R0.9 CC(=O)OC(C)(C)C 06819 [0,1,0,0,0,1|2,0,0]=4 276 B7R0.9 CC(C)(C)OC(N)=O 31379 [0,1,0,0,0,1|2,0,0]=4 277 B7R0.9 C[N+](C)(C)CC(=O)O 29816 [0,1,0,0,0,1|2,0,0]=4 278 B7R0.16 CC(C)C(N)C(=O)O 00627 [0,1,0,0,0,1|1,0,0]=3 279 B7R0.16 CC(C)[C@@H](N)C(=O)O 00316 [0,1,0,0,0,1|1,0,0]=3 280 B7R0.16 CC(C)[C@@H](N)C(N)=O 04459 [0,1,0,0,0,1|2,0,0]=4 281 B7R0.16 CC(C)[C@@H](O)C(=O)O 05646 [0,1,0,0,0,1|1,0,0]=3 282 B7R0.16 CC(C)[C@H](N)C(=O)O 00317 [0,1,0,0,0,1|1,0,0]=3 283 B7R0.16 CC(C)[C@H](N)C(N)=O 03166 [0,1,0,0,0,1|2,0,0]=4 284 B7R0.16 CC(C)[C@H](N)C(N)=O 06265 [0,1,0,0,0,1|2,0,0]=4 285 B7R0.16 CC(C)[C@H](O)C(=O)O 06278 [0,1,0,0,0,1|1,0,0]=3 286 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O 05936 [0,1,0,0,0,1|0,0,0]=2 287 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O 06032 [0,1,0,0,0,1|0,0,0]=2 288 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 00282 [0,1,0,0,0,1|0,0,0]=2 289 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O 03143 [0,1,0,0,0,1|1,0,0]=3 290 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O 00368 [0,1,0,0,0,1|0,0,0]=2 291 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O 00724 [0,1,0,0,0,1|0,0,0]=2 292 B7R0.16 C[C@H](O)[C@H](N)C(=O)O 05846 [0,1,0,0,0,1|0,0,0]=2 293 B7R0.5 C#CCC(N)C(=O)O 07081 [0,2,0,0,0,0|1,0,0]=3 294 B7R0.5 C#CCC(N)C(=O)O 32929 [0,2,0,0,0,0|1,0,0]=3 295 B7R0.5 C#CC[C@@H](N)C(=O)O 05998 [0,2,0,0,0,0|1,0,0]=3 296 B7R0.5 C#CC[C@H](N)C(=O)O 02726 [0,2,0,0,0,0|1,0,0]=3 297 B7R0.5 C#CC[C@H](N)C(=O)O 14298 [0,2,0,0,0,0|1,0,0]=3 298 B7R0.5 C=CCC(N)C(=O)O 14328 [0,2,0,0,0,0|1,0,0]=3 299 B7R0.5 C=CC[C@@H](N)C(=O)O 07440 [0,2,0,0,0,0|1,0,0]=3 300 B7R0.5 C=CC[C@H](N)C(=O)O 07441 [0,2,0,0,0,0|1,0,0]=3 301 B7R0.5 CCCC(N)C(=O)O 06818 [0,2,0,0,0,0|1,0,0]=3 302 B7R0.5 CCC[C@@H](N)C(=O)O 03406 [0,2,0,0,0,0|1,0,0]=3 303 B7R0.5 CCC[C@H](N)C(=O)O 02041 [0,2,0,0,0,0|1,0,0]=3 304 B7R0.5 CCC[C@H](N)C(N)=O 06143 [0,2,0,0,0,0|2,0,0]=4 305 B7R0.5 CCOC(=O)C(C)=O 21912 [0,2,0,0,0,0|0,0,2]=4 306 B7R0.5 CCOC(=O)C(C)N 06028 [0,2,0,0,0,0|1,0,0]=3 307 B7R0.5 CCOC(=O)C(C)O 27780 [0,2,0,0,0,0|0,0,0]=2 308 B7R0.5 CCOC(=O)C(F)Br 24578 [0,2,0,0,0,0|2,0,0]=4 309 B7R0.5 CCOC(=O)C(F)F 27362 [0,2,0,0,0,0|2,0,0]=4 310 B7R0.5 CCOC(=O)[C@@H](C)N 12380 [0,2,0,0,0,0|1,0,0]=3 311 B7R0.5 CCOC(=O)[C@H](C)N 03015 [0,2,0,0,0,0|1,0,0]=3 312 B7R0.5 C[C@H](NC=O)C(=O)O 04404 [0,2,0,0,0,0|0,0,1]=3 313 B7R0.5 N#CC[C@H](N)C(=O)O 03323 [0,2,0,0,0,0|1,0,0]=3 314 B7R0.5 NC(CCO)C(=O)O 01898 [0,2,0,0,0,0|1,0,0]=3 315 B7R0.5 NCCC(N)C(=O)O 21652 [0,2,0,0,0,0|1,0,0]=3 316 B7R0.5 NCCC(O)C(=O)O 23190 [0,2,0,0,0,0|0,0,0]=2 317 B7R0.5 NCC[C@@H](N)C(=O)O 05122 [0,2,0,0,0,0|1,0,0]=3 318 B7R0.5 NCC[C@H](N)C(=O)O 05121 [0,2,0,0,0,0|1,0,0]=3 319 B7R0.5 NCC[C@H](N)C(=O)O 14253 [0,2,0,0,0,0|1,0,0]=3 320 B7R0.5 NCC[C@H](O)C(=O)O 30407 [0,2,0,0,0,0|0,0,0]=2 321 B7R0.5 N[C@@H](CCO)C(=O)O 02051 [0,2,0,0,0,0|1,0,0]=3 322 B7R0.5 N[C@@H](CCS)C(=O)O 21338 [0,2,0,0,0,0|1,0,0]=3 323 B7R0.5 N[C@H](CCO)C(=O)O 04449 [0,2,0,0,0,0|1,0,0]=3 324 B7R0.10 CC(=N/O)\C(C)=N\O 22778 [0,2,0,0,0,0|1,0,1]=4 325 B7R0.10 CC(=N/O)\C(C)=N\O 30110 [0,2,0,0,0,0|1,0,1]=4 326 B7R0.10 CN[C@@H](C)C(=O)OC 16403 [0,2,0,0,0,0|1,0,0]=3 327 B7R0.10 COC(=O)C(N)CO 01960 [0,2,0,0,0,0|1,0,0]=3 328 B7R0.10 COC(=O)[C@@H](N)CCl 06228 [0,2,0,0,0,0|1,0,0]=3 329 B7R0.10 COC(=O)[C@@H](N)CO 00261 [0,2,0,0,0,0|1,0,0]=3 330 B7R0.10 COC(=O)[C@@H](N)CS 12007 [0,2,0,0,0,0|1,0,0]=3 331 B7R0.10 COC(=O)[C@H](N)CO 03136 [0,2,0,0,0,0|1,0,0]=3 332 B7R0.10 N[C@@H](CCl)C(=O)NO 06225 [0,2,0,0,0,0|1,0,0]=3 333 B7R0.10 O=C[C@H](O)[C@H](O)CO 21235 [0,2,0,0,0,0|0,0,1]=3 334 B7R0.10 OC[C@H](O)[C@@H](O)CO 32389 [0,2,0,0,0,0|0,0,2]=4 335 B7R0.10 OC[C@H](O)[C@H](O)CO 21967 [0,2,0,0,0,0|0,0,2]=4 336 B7R0.10 O[C@@H](CS)[C@@H](O)CS 21690 [0,2,0,0,0,0|0,1,1]=4 337 B7R0.10 O[C@H](CS)[C@@H](O)CS 00125 [0,2,0,0,0,0|0,1,1]=4 338 B7R0.10 O[C@H](CS)[C@H](O)CS 00127 [0,2,0,0,0,0|0,1,1]=4 339 B7R0.13 CNC(C)(C)C(=O)O 06334 [0,2,0,0,0,0|1,0,0]=3 340 B7R0.13 C[C@@](N)(CO)C(=O)O 31992 [0,2,0,0,0,0|0,0,0]=2 341 B7R0.13 C[C@](N)(CO)C(=O)O 31991 [0,2,0,0,0,0|0,0,0]=2 342 B7R0.14 COC(=O)C(C)(C)N 14869 [0,2,0,0,0,0|1,0,0]=3 343 B7R0.14 COC(=O)C(C)(C)O 22014 [0,2,0,0,0,0|0,0,0]=2 344 B7R0.15 CN[C@@H](CO)C(=O)O 06357 [0,2,0,0,0,0|0,0,0]=2 345 B5R1.2 IC1COC1 31868 [1,0,0,1,0,0|1,0,1]=4 346 B5R1.2 NC1COC1 31466 [1,0,0,1,0,0|1,0,1]=4 347 B5R1.2 O=C1COC1 31468 [1,0,0,1,0,0|1,0,0]=3 348 B5R1.2 OC1COC1 31486 [1,0,0,1,0,0|0,0,1]=3 349 B5R1.3 ClCC1CO1 24484 [1,0,0,1,0,0|1,0,1]=4 350 B5R1.3 ClC[C@@H]1CO1 24603 [1,0,0,1,0,0|1,0,1]=4 351 B5R1.3 ClC[C@H]1CO1 24602 [1,0,0,1,0,0|1,0,1]=4 352 B5R1.3 OC[C@@H]1CO1 29803 [1,0,0,1,0,0|0,0,1]=3 353 B7R1.20 O=C(O)CC1CC1 17070 [0,0,0,1,0,1|1,0,0]=3 354 B7R1.4 CC1OCCC1=O 29783 [0,1,0,1,0,0|1,0,0]=3 355 B7R1.4 NC1CONC1=O 05653 [0,1,0,1,0,0|1,0,0]=3 356 B7R1.4 N[C@@H]1CONC1=O 00618 [0,1,0,1,0,0|1,0,0]=3 357 B7R1.4 N[C@@H]1CONC1=O 02886 [0,1,0,1,0,0|1,0,0]=3 358 B7R1.4 N[C@H]1CONC1=O 06284 [0,1,0,1,0,0|1,0,0]=3 359 B7R1.4 O=C1O[Co]OC1=O 30586 [0,1,0,1,0,0|1,0,1]=4 360 B7R1.4 O=C1O[Mn]OC1=O 30612 [0,1,0,1,0,0|1,0,1]=4 361 B7R1.4 O=C1O[Ni]OC1=O 30625 [0,1,0,1,0,0|1,0,1]=4 362 B7R1.4 O=C1O[Sr]OC1=O 30646 [0,1,0,1,0,0|1,0,1]=4 363 B7R1.4 O=C1O[Sr]OC1=O 30679 [0,1,0,1,0,0|1,0,1]=4 364 B7R1.4 O=C1O[Zn]OC1=O 30654 [0,1,0,1,0,0|1,0,1]=4 365 B7R1.4 O=C1O[Zn]OC1=O 30683 [0,1,0,1,0,0|1,0,1]=4 366 B7R1.18 NC(=O)C1CCN1 19289 [0,1,0,1,0,0|2,0,0]=4 367 B7R1.18 O=C(O)C1CCN1 17777 [0,1,0,1,0,0|1,0,0]=3 368 B7R1.18 O=C(O)C1CNC1 07009 [0,1,0,1,0,0|1,0,0]=3 369 B7R1.18 O=C(O)C1COC1 31471 [0,1,0,1,0,0|0,0,0]=2 370 B7R1.18 O=C(O)[C@@H]1CCN1 04462 [0,1,0,1,0,0|1,0,0]=3 371 B7R1.19 NC1(C(=O)O)CC1 07075 [0,1,0,1,0,0|1,0,0]=3 372 B7R1.22 [C@@H]1(C(=O)OC)CO1 16521 [0,1,0,1,0,0|0,0,0]=2 373 B7R0.6 CC(=O)NCC(=O)O 02611 [0,0,0,0,0,2|0,0,2]=4 374 B7R0.6 O=C(O)CCC(=O)O 01465 [0,0,0,0,0,2|1,0,1]=4 375 B7R0.6 O=C(O)CCC(=O)O 30165 [0,0,0,0,0,2|1,0,1]=4 376 B7R0.6 O=C(O)\C=C/C(=O)O 01181 [0,0,0,0,0,2|1,0,1]=4