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AMY18828 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.5 N[C@@H](CCBr)C(=O)O AMY4429 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.5 N[C@@H](CCO)C(=O)O AM20100471 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.5 N[C@@H](CCO)C(=O)O AM20100617 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.5 N[C@@H](CCO)C(=O)O AM82563 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.5 N[C@@H](CCS)C(=O)O AMY25680 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.10 CCN(C)C(=O)CBr AM803019 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.10 CC[C@@H](C)[C@@H](N)CO AM20090276 [1,0,0,0,0,0|1,0,2]=4 41 B7R0.10 CC[C@@H](O)C(=O)OC AMY31871 [1,0,0,0,0,0|3,0,0]=4 42 B7R0.10 CC[C@H](Br)C(=O)OC AM20090460 [1,0,0,0,0,0|3,0,0]=4 43 B7R0.10 CC[C@H](O)C(=O)OC AMY31876 [1,0,0,0,0,0|3,0,0]=4 44 B7R0.10 CN[C@@H](C)C(=O)OC AM9231 [1,0,0,0,0,0|3,0,0]=4 45 B7R0.10 CN[C@@H](C)C(=O)OC AM9301 [1,0,0,0,0,0|3,0,0]=4 46 B7R0.10 COC(=O)[C@@H](C)CBr AMY14329 [1,0,0,0,0,0|3,0,0]=4 47 B7R0.10 COC(=O)[C@@H](C)CO AMY14286 [1,0,0,0,0,0|3,0,0]=4 48 B7R0.10 COC(=O)[C@H](C)CBr AMY14235 [1,0,0,0,0,0|3,0,0]=4 49 B7R0.10 COC(=O)[C@H](C)CO AMY14231 [1,0,0,0,0,0|3,0,0]=4 50 B7R0.10 COC(=O)[C@H](C)OC AMY37763 [1,0,0,0,0,0|3,0,0]=4 51 B7R0.16 C=C(C)C(=O)N(C)C AM85878 [1,0,0,0,0,0|3,0,0]=4 52 B7R0.16 CC(C)C(=O)C(=O)[O-] AMY37099 [1,0,0,0,0,0|0,0,1]=2 53 B7R0.16 CC(C)[C@H](Br)C(=O)O AMY13608 [1,0,0,0,0,0|1,0,1]=3 54 B7R0.16 CC(C)[C@H](Cl)C(=O)O AM9806 [1,0,0,0,0,0|1,0,1]=3 55 B7R0.16 CC(C)[C@H](N)C(=O)O AM82362 [1,0,0,0,0,0|1,0,1]=3 56 B7R0.16 CC(C)[C@H](N)C(=O)O AM82363 [1,0,0,0,0,0|1,0,1]=3 57 B7R0.16 CC(C)[C@H](N)C(=O)O AM82364 [1,0,0,0,0,0|1,0,1]=3 58 B7R0.16 CC(C)[C@H](N)C(N)=O AM82387 [1,0,0,0,0,0|2,0,1]=4 59 B7R0.16 CC(C)[C@H](O)C(=O)O AMY22056 [1,0,0,0,0,0|0,0,2]=3 60 B7R0.16 CC(O)C(N)C(=O)O AMY25310 [1,0,0,0,0,0|2,0,1]=4 61 B7R0.16 CN(C)C(=O)C(=O)O AM20090487 [1,0,0,0,0,0|1,0,0]=2 62 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AM20100684 [1,0,0,0,0,0|2,0,1]=4 63 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AM82240 [1,0,0,0,0,0|2,0,1]=4 64 B7R0.16 C[C@H](O)[C@H](N)C(=O)O AM20090281 [1,0,0,0,0,0|2,0,1]=4 65 B7R0.16 C[C@H](O)[C@H](N)C(=O)O AM82272 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[2,0,0,0,0,0|2,0,0]=4 133 B6R0.3 CC[C@H](S)C(=O)O AMY2446 [2,0,0,0,0,0|1,0,0]=3 134 B6R0.3 CN[C@@H](C)C(=O)O AM81482 [2,0,0,0,0,0|1,0,0]=3 135 B6R0.3 CN[C@@H](C)C(=O)O AM82991 [2,0,0,0,0,0|1,0,0]=3 136 B6R0.3 CN[C@@H](C)C(=O)O AM9397 [2,0,0,0,0,0|1,0,0]=3 137 B6R0.3 CN[C@@H](C)C(=O)[O-] AM9064 [2,0,0,0,0,0|1,0,1]=4 138 B6R0.3 CN[C@H](C)C(=O)O AMY25382 [2,0,0,0,0,0|1,0,0]=3 139 B6R0.3 COC(=O)C(C)=O AMY40825 [2,0,0,0,0,0|2,0,0]=4 140 B6R0.3 CO[C@H](C)C(=O)O AM84813 [2,0,0,0,0,0|1,0,0]=3 141 B6R0.3 C[C@@H](CN)C(=O)O AMY22008 [2,0,0,0,0,0|1,0,0]=3 142 B6R0.3 C[C@@H](CO)C(=O)O AMY18825 [2,0,0,0,0,0|1,0,0]=3 143 B6R0.3 C[C@H](C#N)C(=O)O AMY19783 [2,0,0,0,0,0|1,0,1]=4 144 B6R0.3 C\C=C(\C)C(=O)O AMY19230 [2,0,0,0,0,0|0,0,2]=4 145 B6R0.3 NC[C@H](N)C(=O)O AM20080367 [2,0,0,0,0,0|2,0,0]=4 146 B6R0.3 NC[C@H](N)C(=O)O AM20100354 [2,0,0,0,0,0|2,0,0]=4 147 B6R0.3 NC[C@H](N)C(=O)O AM20100470 [2,0,0,0,0,0|2,0,0]=4 148 B6R0.3 NC[C@H](O)C(=O)O AM1113 [2,0,0,0,0,0|2,0,0]=4 149 B6R0.3 NC[C@H](O)C(=O)O AM82574 [2,0,0,0,0,0|2,0,0]=4 150 B6R0.3 N[C@@H](CCl)C(=O)O AMY22074 [2,0,0,0,0,0|2,0,0]=4 151 B6R0.3 N[C@@H](CCl)C(=O)O AMY22075 [2,0,0,0,0,0|2,0,0]=4 152 B6R0.3 N[C@@H](CO)C(=O)O AM20090412 [2,0,0,0,0,0|2,0,0]=4 153 B6R0.3 N[C@@H](CO)C(=O)O AM20090441 [2,0,0,0,0,0|2,0,0]=4 154 B6R0.3 N[C@@H](CO)C(=O)O AM20100375 [2,0,0,0,0,0|2,0,0]=4 155 B6R0.3 N[C@@H](CS)C(=O)O AM20070682 [2,0,0,0,0,0|2,0,0]=4 156 B6R0.3 N[C@@H](CS)C(=O)O AM81647 [2,0,0,0,0,0|2,0,0]=4 157 B6R0.3 N[C@@H](CS)C(=O)O AM81648 [2,0,0,0,0,0|2,0,0]=4 158 B6R0.3 N[C@@H](CS)C(=O)O AM81649 [2,0,0,0,0,0|2,0,0]=4 159 B6R0.3 N[C@@H](CS)C(=O)O AM81651 [2,0,0,0,0,0|2,0,0]=4 160 B6R0.3 N[C@H](CCl)C(=O)O AMY19767 [2,0,0,0,0,0|2,0,0]=4 161 B6R0.3 O=C(O)C(=O)CBr AM84337 [2,0,0,0,0,0|1,0,0]=3 162 B6R0.3 O=C(O)[C@@H](Br)CBr AM20100466 [2,0,0,0,0,0|2,0,0]=4 163 B8R0.19 CC[C@H](O)CC(=O)OC AM85819 [1,1,0,0,0,0|1,0,1]=4 164 B8R0.23 CC(C)[C@@H](N)CC(=O)O AMY30425 [1,1,0,0,0,0|1,0,1]=4 165 B8R0.23 CC(C)[C@H](N)CC(=O)O AMY14234 [1,1,0,0,0,0|1,0,1]=4 166 B8R0.23 CC(C)[C@H](N)CC(=O)O AMY30426 [1,1,0,0,0,0|1,0,1]=4 167 B8R0.3 CCCC(=O)N(C)OC AM90018 [1,1,0,0,0,0|2,0,0]=4 168 B8R0.3 CCC[C@H](N)C(=O)OC AM82602 [1,1,0,0,0,0|1,0,1]=4 169 B8R0.3 CCOC(=O)C(=O)CBr AMY866 [1,1,0,0,0,0|2,0,0]=4 170 B8R0.3 CCOC(=O)C(=O)CC AM20080427 [1,1,0,0,0,0|2,0,0]=4 171 B8R0.3 CCOC(=O)\C(Cl)=N\O AM20080328 [1,1,0,0,0,0|2,0,0]=4 172 B8R0.3 CCOC(=O)\C(N)=N\O AMY42392 [1,1,0,0,0,0|2,0,0]=4 173 B8R0.8 CCCCC(=O)C(=O)O AMY6080 [1,1,0,0,0,0|0,0,0]=2 174 B8R0.8 CCCCC(=O)C(=O)[O-] AMY38328 [1,1,0,0,0,0|0,0,1]=3 175 B8R0.8 CCCC[C@H](N)C(=O)O AM82583 [1,1,0,0,0,0|1,0,1]=4 176 B8R0.8 CCCC[C@H](N)C(=O)O AM82584 [1,1,0,0,0,0|1,0,1]=4 177 B8R0.8 CCCC[C@H](N)C(=O)O AM82585 [1,1,0,0,0,0|1,0,1]=4 178 B8R0.8 CSCC[C@H](N)C(=O)O AM20100433 [1,1,0,0,0,0|1,0,1]=4 179 B8R0.8 CSCC[C@H](N)C(=O)O AM20100552 [1,1,0,0,0,0|1,0,1]=4 180 B8R0.8 CSCC[C@H](N)C(=O)O AM81977 [1,1,0,0,0,0|1,0,1]=4 181 B8R0.8 C[Se]CC[C@H](N)C(=O)O AMY18854 [1,1,0,0,0,0|1,0,1]=4 182 B8R0.8 NCCC[C@H](N)C(=O)O AM20080016 [1,1,0,0,0,0|1,0,1]=4 183 B8R0.8 NCCC[C@H](N)C(=O)O AM20090455 [1,1,0,0,0,0|1,0,1]=4 184 B8R0.8 NCCC[C@H](N)C(=O)O AM82603 [1,1,0,0,0,0|1,0,1]=4 185 B8R0.15 CCC[C@H](NC)C(=O)O AM9227 [1,1,0,0,0,0|1,0,1]=4 186 B8R0.20 C=CC(=O)N(CC)CC AMY3918 [1,1,0,0,0,0|2,0,0]=4 187 B8R0.20 CC[C@H](NC)C(=O)OC AM9125 [1,1,0,0,0,0|2,0,0]=4 188 B8R0.18 CC(C)[C@H](CN)C(=O)O AM9635 [1,1,0,0,0,0|1,0,1]=4 189 B8R0.18 CN[C@@H](C(=O)O)C(C)C AMY22718 [1,1,0,0,0,0|1,0,1]=4 190 B8R0.18 CN[C@H](C(=O)O)C(C)C AM82389 [1,1,0,0,0,0|1,0,1]=4 191 B8R0.18 CN[C@H](C(=O)O)C(C)C AM9218 [1,1,0,0,0,0|1,0,1]=4 192 B8R0.18 CN[C@H](C(=O)O)C(C)C AM9482 [1,1,0,0,0,0|1,0,1]=4 193 B8R0.27 CC(C)(C)C(=O)C(=O)O AMY31056 [1,1,0,0,0,0|0,0,0]=2 194 B8R0.27 CC(C)(C)[C@H](Br)C(=O)O AMY13616 [1,1,0,0,0,0|1,0,1]=4 195 B8R0.27 CC(C)(C)[C@H](N)C(=O)O AM20090175 [1,1,0,0,0,0|1,0,1]=4 196 B8R0.27 CC(C)(C)[C@H](N)C(=O)O AM20090329 [1,1,0,0,0,0|1,0,1]=4 197 B8R0.27 CC(C)(C)[C@H](N)C(=O)O AM20090501 [1,1,0,0,0,0|1,0,1]=4 198 B8R0.27 CC(C)(C)[C@H](O)C(=O)O AMY13579 [1,1,0,0,0,0|0,0,2]=4 199 B8R0.27 CC(C)(S)[C@H](N)C(=O)O AM83710 [1,1,0,0,0,0|1,0,1]=4 200 B8R0.27 CC(C)(S)[C@H](N)C(=O)O AMY42343 [1,1,0,0,0,0|1,0,1]=4 201 B10R0.26 CCNC(=O)NC(=O)C(=O)O AMY2512 [0,1,0,0,0,1|1,0,1]=4 202 B10R0.35 CCOC(=O)[C@@H](N)[C@@H](C)CC AMY28715 [0,2,0,0,0,0|1,0,1]=4 203 B10R0.51 CC[C@H](C)[C@H](NC)C(=O)OC AM9323 [0,2,0,0,0,0|1,0,1]=4 204 B8R1.1 CC[C@H]1CNC(=O)O1 AM806527 [1,0,0,1,0,0|2,0,0]=4 205 B8R1.1 O=C1C=C(CBr)CO1 AMY20313 [1,0,0,1,0,0|1,0,1]=4 206 B8R1.1 O=C1C[C@H](CO)CO1 AM806516 [1,0,0,1,0,0|1,0,1]=4 207 B8R1.1 O=C1N[C@@H](CI)CO1 AMY21405 [1,0,0,1,0,0|2,0,0]=4 208 B8R1.1 O=C1N[C@@H](CO)CO1 AMY21700 [1,0,0,1,0,0|2,0,0]=4 209 B8R1.1 O=C1N[C@H](CI)CO1 AMY21406 [1,0,0,1,0,0|2,0,0]=4 210 B8R1.1 O=C1N[C@H](CO)CO1 AMY21777 [1,0,0,1,0,0|2,0,0]=4 211 B8R1.4 C[C@H]1CCCC(=O)N1 AMY16211 [1,0,0,1,0,0|2,0,0]=4 212 B8R1.18 CC1=CC(=O)O[C@@H]1O AMY11083 [1,0,0,1,0,0|1,0,1]=4 213 B8R1.31 CC1CCC1C(=O)O AM807028 [1,0,0,1,0,0|0,0,1]=3 214 B8R1.31 CC1NCC1C(=O)O AMY35766 [1,0,0,1,0,0|1,0,1]=4 215 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O AMY35641 [1,0,0,1,0,0|1,0,1]=4 216 B8R1.34 O=C(O)C=C1CCC1 AMY33602 [1,0,0,1,0,0|0,0,1]=3 217 B8R1.34 O=C(O)CC1CCC1 AM807029 [1,0,0,1,0,0|0,0,1]=3 218 B8R1.34 O=C(O)CC1CNC1 AMY33688 [1,0,0,1,0,0|1,0,1]=4 219 B8R1.34 O=C(O)CC1CNC1 AMY38757 [1,0,0,1,0,0|1,0,1]=4 220 B8R1.34 O=C(O)CC1COC1 AMY19671 [1,0,0,1,0,0|1,0,1]=4 221 B8R1.34 O=C(O)CN1CCC1 AMY21704 [1,0,0,1,0,0|1,0,1]=4 222 B8R1.5 O=C1CCCCC1=O AM20070526 [1,0,0,1,0,0|1,0,0]=3 223 B8R1.7 CC(=O)C1=NCCC1 AMY42086 [1,0,0,1,0,0|2,0,0]=4 224 B8R1.7 O=C(O)C1=CCCC1 AM20080408 [1,0,0,1,0,0|1,0,0]=3 225 B8R1.7 O=C(O)C1=CCNC1 AMY32011 [1,0,0,1,0,0|2,0,0]=4 226 B8R1.7 O=C(O)C1CCCC1 AM83283 [1,0,0,1,0,0|1,0,1]=4 227 B8R1.7 O=C(O)[C@@H]1CCCN1 AM20080359 [1,0,0,1,0,0|1,0,1]=4 228 B8R1.7 O=C(O)[C@@H]1CCCN1 AM20090537 [1,0,0,1,0,0|1,0,1]=4 229 B8R1.7 O=C(O)[C@@H]1CCCN1 AM20100482 [1,0,0,1,0,0|1,0,1]=4 230 B8R1.7 O=C(O)[C@@H]1CCCN1 AMY28657 [1,0,0,1,0,0|1,0,1]=4 231 B8R1.7 O=C(O)[C@@H]1CCCO1 AM20090013 [1,0,0,1,0,0|0,0,2]=4 232 B8R1.7 O=C(O)[C@@H]1CCCO1 AM20110255 [1,0,0,1,0,0|0,0,2]=4 233 B8R1.7 O=C(O)[C@@H]1CCCO1 AM20110256 [1,0,0,1,0,0|0,0,2]=4 234 B8R1.7 O=C(O)[C@@H]1CCCS1 AM803451 [1,0,0,1,0,0|0,1,1]=4 235 B8R1.23 CC1CC(C(=O)O)C1 AM804062 [1,0,0,1,0,0|1,0,1]=4 236 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 AMY34068 [1,0,0,1,0,0|1,0,1]=4 237 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 AMY34302 [1,0,0,1,0,0|1,0,1]=4 238 B8R1.54 N[C@H](C(=O)O)C1CC1 AM803956 [1,0,0,1,0,0|1,0,1]=4 239 B8R1.54 N[C@H](C(=O)O)C1CC1 AMY14385 [1,0,0,1,0,0|1,0,1]=4 240 B8R1.54 N[C@H](C(=O)O)C1CC1 AMY36516 [1,0,0,1,0,0|1,0,1]=4 241 B8R1.54 O=C(O)C(=O)C1CC1 AM86577 [1,0,0,1,0,0|0,0,0]=2 242 B8R1.78 CC1(C(=O)O)CCC1 AMY33490 [1,0,0,1,0,0|1,0,1]=4 243 B8R1.78 NC1(C(=O)O)CCC1 AM20070607 [1,0,0,1,0,0|1,0,1]=4 244 B8R1.78 NC1(C(=O)O)CCC1 AMY16489 [1,0,0,1,0,0|1,0,1]=4 245 B8R1.78 O=C(O)C1(Br)CCC1 AMY40623 [1,0,0,1,0,0|1,0,1]=4 246 B8R1.78 O=C(O)C1(O)CCC1 AMY23436 [1,0,0,1,0,0|0,0,2]=4 247 B8R1.38 CNC(=O)C1CCC1 AMY32244 [1,0,0,1,0,0|2,0,0]=4 248 B8R1.38 COC(=O)C1CCC1 AM20070621 [1,0,0,1,0,0|2,0,0]=4 249 B8R1.38 NNC(=O)C1CCC1 AM20070630 [1,0,0,1,0,0|2,0,0]=4 250 B8R1.50 C[C@H]1CCN(C)C1=O AM86096 [1,0,0,1,0,0|2,0,0]=4 251 B8R1.77 CC1(C)C[C@@H]1C(=O)O AMY21208 [1,0,0,1,0,0|1,0,1]=4 252 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 AMY21985 [0,0,0,1,0,1|1,0,1]=4 253 B10R1.23 N[C@H](C(=O)O)C1CCCC1 AMY22039 [0,1,0,1,0,0|1,0,1]=4 254 B10R1.23 N[C@H](C(=O)O)C1CCCC1 AMY22049 [0,1,0,1,0,0|1,0,1]=4 255 B10R1.119 CN1CCN(C)C(=O)C1=O AMY2515 [0,1,0,1,0,0|2,0,0]=4 256 B10R1.182 CON(C)C(=O)C1CCC1 AMY32253 [0,1,0,1,0,0|2,0,0]=4 257 B10R1.191 CC1=C(C)C(C)C(C)C1=O AMY7314 [0,1,0,1,0,0|2,0,0]=4 258 B10R1.128 CC1(C)CCN[C@@H]1C(=O)O AMY34795 [0,1,0,1,0,0|1,0,1]=4 259 B10R2.355 O=C(O)C1NCC2CC21 AMY15169 [0,0,0,2,0,0|1,0,1]=4 260 B8R0.9 CC=C(C)C=CC(=O)O AM806492 [1,0,0,0,0,1|0,0,2]=4