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N[C@@H](CCC(O)=O)C(O)=O T31266 [0,0,0,0,0,1|1,0,0]=2 131 B9R0.7 N[C@@H](CCC(O)=O)C(O)=O T34937 [0,0,0,0,0,1|1,0,0]=2 132 B9R0.7 N[C@@H](CCC(O)=O)C([O-])=O T6871 [0,0,0,0,0,1|1,0,1]=3 133 B9R0.7 N[C@@H](CC[14C](O)=O)C(O)=O T32734 [0,0,0,0,0,1|1,0,0]=2 134 B9R0.7 N[C@@H](CNC(N)=O)C(O)=O T20121 [0,0,0,0,0,1|0,0,0]=1 135 B9R0.7 N[C@H](CCC(N)=O)C(O)=O T6468 [0,0,0,0,0,1|0,0,0]=1 136 B9R0.7 N[C@H](CCC(O)=O)C(O)=O T10935 [0,0,0,0,0,1|1,0,0]=2 137 B9R0.7 N[C@H](CCS(C)=O)C(O)=O T19264 [0,0,0,0,0,1|2,0,0]=3 138 B9R0.7 OC(=O)CCC(=O)C(O)=O T21024 [0,0,0,0,0,1|2,0,1]=4 139 B9R0.7 OC(=O)CCC(=O)C(O)=O T5980 [0,0,0,0,0,1|2,0,1]=4 140 B9R0.7 OC(=O)CNC(=O)C(O)=O T21634 [0,0,0,0,0,1|2,0,1]=4 141 B9R0.7 OC(CCC([O-])=O)C([O-])=O T21665 [0,0,0,0,0,1|2,0,1]=4 142 B9R0.7 O[C@@H](CCC(O)=O)C(O)=O T13749 [0,0,0,0,0,1|2,0,0]=3 143 B9R0.7 O[C@@H](CCC([O-])=O)C([O-])=O T13748 [0,0,0,0,0,1|2,0,1]=4 144 B9R0.7 O[C@H](CCC([O-])=O)C([O-])=O T6820 [0,0,0,0,0,1|2,0,1]=4 145 B9R0.53 CC(CC(O)=O)CC(O)=O T4766 [0,0,0,0,0,1|2,0,0]=3 146 B9R0.53 OC(=O)CC(=O)CC(O)=O T5614 [0,0,0,0,0,1|2,0,1]=4 147 B9R0.53 OC(CC(O)=O)CC(O)=O TQ0024 [0,0,0,0,0,1|2,0,0]=3 148 B6R0.2 CC(C)CC(N)=O T0361 [2,0,0,0,0,0|1,0,1]=4 149 B6R0.2 CC(CC(O)=O)N TN6756 [2,0,0,0,0,0|1,0,1]=4 150 B6R0.2 CC(O)CC(O)=O T4947 [2,0,0,0,0,0|2,0,0]=4 151 B6R0.2 C[C@@H](O)CC(O)=O T5248 [2,0,0,0,0,0|2,0,0]=4 152 B6R0.2 C[C@H](O)CC(O)=O T13979 [2,0,0,0,0,0|2,0,0]=4 153 B6R0.4 COCCC(O)=O T20899 [2,0,0,0,0,0|2,0,0]=4 154 B6R0.4 CSCCC(O)=O T5285 [2,0,0,0,0,0|2,0,0]=4 155 B6R0.4 NCCCC(O)=O T0508 [2,0,0,0,0,0|0,0,1]=3 156 B6R0.4 OC(=O)CCC#C T0580 [2,0,0,0,0,0|1,0,1]=4 157 B6R0.4 OC(=O)CCC=C T8032 [2,0,0,0,0,0|1,0,0]=3 158 B6R0.4 OC(=O)CNC=O T4741 [2,0,0,0,0,0|1,0,0]=3 159 B6R0.3 CC(CN)C(O)=O T4887 [2,0,0,0,0,0|1,0,0]=3 160 B6R0.3 CC(CO)C(O)=O T19619 [2,0,0,0,0,0|1,0,1]=4 161 B6R0.3 CCC(N)C(O)=O TN6936 [2,0,0,0,0,0|0,0,1]=3 162 B6R0.3 CC[C@@H](N)C(O)=O T19302 [2,0,0,0,0,0|0,0,1]=3 163 B6R0.3 CC[C@H](N)C(O)=O T5306 [2,0,0,0,0,0|0,0,1]=3 164 B6R0.3 C[C@@H](CN)C(O)=O T7357 [2,0,0,0,0,0|1,0,0]=3 165 B6R0.3 C[C@@H](CN)C(O)=O T7401 [2,0,0,0,0,0|1,0,0]=3 166 B6R0.3 NC(CO)C(O)=O T8363 [2,0,0,0,0,0|0,0,1]=3 167 B6R0.3 NC(CS)C(=O)O T8141 [2,0,0,0,0,0|0,1,0]=3 168 B6R0.3 NCC(N)C(O)=O T4755 [2,0,0,0,0,0|0,0,0]=2 169 B6R0.3 NC[C@H](N)C(O)=O T5978 [2,0,0,0,0,0|0,0,0]=2 170 B6R0.3 NC[C@H](N)C(O)=O T7335 [2,0,0,0,0,0|0,0,0]=2 171 B6R0.3 N[C@@H](CCl)C(O)=O T6987 [2,0,0,0,0,0|1,0,0]=3 172 B6R0.3 N[C@@H](CO)C(O)=O T2O2730 [2,0,0,0,0,0|0,0,1]=3 173 B6R0.3 N[C@@H](CO)[13C](O)=O T32902 [2,0,0,0,0,0|0,0,1]=3 174 B6R0.3 N[C@@H](CS)C(O)=O T1547L [2,0,0,0,0,0|0,1,0]=3 175 B6R0.3 N[C@@H](CS)C(O)=O T2O2721 [2,0,0,0,0,0|0,1,0]=3 176 B6R0.3 N[C@@H](CS)C(O)=O TN5283 [2,0,0,0,0,0|0,1,0]=3 177 B6R0.3 N[C@@H](C[SeH])C(O)=O T9427 [2,0,0,0,0,0|0,1,0]=3 178 B6R0.3 N[C@H](CO)C(O)=O T8394 [2,0,0,0,0,0|0,0,1]=3 179 B6R0.3 N[C@H](CS)C(O)=O T10933 [2,0,0,0,0,0|0,1,0]=3 180 B6R0.3 O=C(O)[C@H](C)CO T19617 [2,0,0,0,0,0|1,0,1]=4 181 B6R0.3 OCC(O)C(O)=O T19289 [2,0,0,0,0,0|1,0,1]=4 182 B8R0.8 C(=O)([C@@H](N)CCCN)O T0737 [1,1,0,0,0,0|0,0,1]=3 183 B8R0.8 CCCC[C@H](N)C(O)=O T4765 [1,1,0,0,0,0|1,0,1]=4 184 B8R0.8 COCCC(N)C(O)=O T33328 [1,1,0,0,0,0|0,0,2]=4 185 B8R0.8 CSCCC(N)C(O)=O TJO2742 [1,1,0,0,0,0|0,1,1]=4 186 B8R0.8 CSCC[C@H](N)C(O)=O T32390 [1,1,0,0,0,0|0,1,1]=4 187 B8R0.8 CSCC[C@H](N)C(O)=O T4844 [1,1,0,0,0,0|0,1,1]=4 188 B8R0.8 C[75Se]CC[C@H](N)C(O)=O T34608 [1,1,0,0,0,0|0,1,1]=4 189 B8R0.8 C[Se]CCC(N)C(O)=O T1658 [1,1,0,0,0,0|0,1,1]=4 190 B8R0.8 C[Se]CC[C@H](N)C(O)=O T5372 [1,1,0,0,0,0|0,1,1]=4 191 B8R0.8 NCCC[C@@H](N)C(O)=O T0551 [1,1,0,0,0,0|0,0,1]=3 192 B8R0.8 NCCC[C@H](N)C(O)=O T2O2701 [1,1,0,0,0,0|0,0,1]=3 193 B8R0.8 NOCC[C@H](N)C(O)=O T11802 [1,1,0,0,0,0|0,0,1]=3 194 B8R0.8 N[C@@H](CCC#C)C(O)=O T15694 [1,1,0,0,0,0|1,0,1]=4 195 B8R0.9 COC(=O)CCC(C)=O TN4548 [1,1,0,0,0,0|1,0,0]=3 196 B8R0.9 NC(CCC(O)=O)C=C T0128 [1,1,0,0,0,0|1,0,1]=4 197 B8R0.9 NC(CCC(O)=O)C=C T0128L [1,1,0,0,0,0|1,0,1]=4 198 B8R0.9 NCC(=O)CCC(O)=O T14047 [1,1,0,0,0,0|0,0,0]=2 199 B8R0.9 NCC(=O)CCC(O)=O T1662 [1,1,0,0,0,0|0,0,0]=2 200 B8R0.9 NCC(=O)NCC(O)=O T5286 [1,1,0,0,0,0|1,0,0]=3 201 B8R0.18 CCC(C(O)=O)C(O)=O T5279 [0,1,0,0,1,0|2,0,0]=4 202 B8R0.37 CC(C)(C(O)=O)C(O)=O T19284 [0,1,0,0,1,0|2,0,0]=4 203 B10R0.13 C[C@H](CC(O)=O)[C@H](N)C(O)=O T22485 [0,1,0,0,0,1|1,0,0]=3 204 B10R0.13 N[C@@H]([C@@H](F)CC(O)=O)C(O)=O T29398 [0,1,0,0,0,1|1,0,0]=3 205 B10R0.82 COC(=O)CC[C@H](N)C(O)=O T32663 [0,1,0,0,0,1|1,0,0]=3 206 B10R0.82 NCC(O)CCC(N)C(O)=O T4937 [0,1,0,0,0,1|0,0,2]=4 207 B10R0.82 NC[C@H](O)CC[C@H](N)C(O)=O T19394 [0,1,0,0,0,1|0,0,2]=4 208 B10R0.92 CP(O)(=O)CCC(N)C(O)=O T15391 [0,1,0,0,0,1|2,0,0]=4 209 B10R0.92 CP(O)(=O)CCC(N)C(O)=O T15391L [0,1,0,0,0,1|2,0,0]=4 210 B10R0.92 CS(=N)(=O)CC[C@H](N)C(O)=O T41299 [0,1,0,0,0,1|1,0,1]=4 211 B10R0.92 NC(COP(O)(O)=O)C(O)=O T5057 [0,1,0,0,0,1|2,0,0]=4 212 B10R0.92 N[C@@H](CCP(O)(O)=O)C(O)=O T15692 [0,1,0,0,0,1|2,0,0]=4 213 B10R0.92 N[C@@H](COP(O)(O)=O)C(O)=O T1324 [0,1,0,0,0,1|2,0,0]=4 214 B10R0.92 N[C@H](CCP(O)(O)=O)C(O)=O T22704 [0,1,0,0,0,1|2,0,0]=4 215 B10R0.92 O=C(O)C(N)CCP(O)(O)=O T19863 [0,1,0,0,0,1|2,0,0]=4 216 B10R0.92 [O-][P@](O)(CC[C@H](C(O)=O)N)=O T22731 [0,1,0,0,0,1|2,0,0]=4 217 B10R0.93 CC(N[C@@H](C)C(O)=O)C(O)=O T29822 [0,1,0,0,0,1|2,0,0]=4 218 B10R0.93 C[C@H](C[C@H](N)C(O)=O)C(O)=O T16963 [0,1,0,0,0,1|1,0,0]=3 219 B10R0.93 N[C@@H](C[C@@H](F)C(N)=O)C(O)=O T31824 [0,1,0,0,0,1|0,0,0]=2 220 B10R0.165 CC(C)(CC(O)=O)CC(O)=O T7464 [0,1,0,0,0,1|2,0,0]=4 221 B10R0.165 CC(O)(CC(O)=O)CC(O)=O T1664 [0,1,0,0,0,1|2,0,0]=4 222 B10R0.26 C/C=C/S(=O)C[C@H](N)C(O)=O T10025 [0,2,0,0,0,0|2,0,0]=4 223 B10R0.26 N[C@@H](CS(=O)CC=C)C(O)=O T5764 [0,2,0,0,0,0|2,0,0]=4 224 B8R1.18 CN1CC(=O)NC1=O T5236 [1,0,0,1,0,0|2,0,0]=4 225 B8R1.18 NN1CC(=O)NC1=O T0668 [1,0,0,1,0,0|1,0,0]=3 226 B8R1.18 O=C1NC(CN1C)=O T28222 [1,0,0,1,0,0|2,0,0]=4 227 B8R1.7 C1[C@@H](NCS1)C(=O)O T21115 [1,0,0,1,0,0|2,0,0]=4 228 B8R1.7 OC(=O)C1CSCN1 T0221 [1,0,0,1,0,0|2,0,0]=4 229 B8R1.7 OC(=O)[C@@H]1CCCN1 T2O2683 [1,0,0,1,0,0|1,0,1]=4 230 B8R1.7 OC(=O)[C@@H]1CSCN1 T4292 [1,0,0,1,0,0|2,0,0]=4 231 B8R1.7 OC(=O)[C@H]1CCCN1 T5302 [1,0,0,1,0,0|1,0,1]=4 232 B8R1.7 OC([C@H]1NCCC1)=O TN1593 [1,0,0,1,0,0|1,0,1]=4 233 B8R1.78 NC1(CCC1)C(O)=O T22542 [1,0,0,1,0,0|1,0,1]=4 234 B10R1.13 NC1=NCC(CN1)C(O)=O T23787 [0,0,0,1,0,1|2,0,0]=4 235 B10R1.59 N[C@H]1CC(=C)C[C@H]1C(O)=O T27580 [0,0,0,1,0,1|2,0,0]=4 236 B8R0.28 CC(=O)NCCC(O)=O T1373 [1,0,0,0,0,1|1,0,0]=3 237 B8R0.28 NC(=N)NCCC(O)=O T7535 [1,0,0,0,0,1|1,0,0]=3 238 B8R0.28 NC(=O)NCCC(O)=O T4919 [1,0,0,0,0,1|0,0,0]=2 239 B8R0.28 OC(=O)CCCC(O)=O T4794 [1,0,0,0,0,1|1,0,0]=3 240 B8R0.28 OC(=O)CSCC(O)=O T19746 [1,0,0,0,0,1|1,0,0]=3 241 B10R0.96 CC(CCC(O)=O)CC(O)=O T5253 [0,0,0,0,0,2|2,0,0]=4 242 B10R0.98 NC(CCCC(O)=O)C(O)=O T4705 [0,0,0,0,0,2|1,0,0]=3 243 B10R0.98 NC(CSCC(O)=O)C(O)=O T13440 [0,0,0,0,0,2|1,0,0]=3 244 B10R0.98 N[C@@H](CSCC(O)=O)C(O)=O T20124 [0,0,0,0,0,2|1,0,0]=3 245 B10R0.98 N[C@@H](CSCC(O)=O)C(O)=O T3612 [0,0,0,0,0,2|1,0,0]=3 246 B10R0.98 OC(CCCC(O)=O)C(O)=O T19102 [0,0,0,0,0,2|2,0,0]=4