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[0,1,0,0,0,0|2,0,0]=3 106 B10R0.57 COC(=O)C(C)COC(C)C 6b37019df8416659a37fb1e9cd401a77 [0,1,0,0,0,0|2,0,1]=4 107 B10R0.57 COC(=O)C(C)NCC(=O)C 755d3626f2edacd7ed2029536ccc523e [0,1,0,0,0,0|3,0,0]=4 108 B10R0.57 COC(=O)C(F)COC(C)C 910fcdd669e3c9f43e2d98bb9217a0e5 [0,1,0,0,0,0|2,0,1]=4 109 B10R0.57 COC(=O)[C@@H](C)COC(C)C 5510112c43e435105c0884e50fa20be0 [0,1,0,0,0,0|2,0,1]=4 110 B10R0.57 COC(=O)[C@@H](C)NCC(=O)C 0a98dbeef6cc4ec7d0ba373667f56659 [0,1,0,0,0,0|3,0,0]=4 111 B10R0.57 COC(=O)[C@H](C)COC(C)C 208f9b30a4e0a5138108c7fe9a86d576 [0,1,0,0,0,0|2,0,1]=4 112 B10R0.57 COC(=O)[C@H](C)NCC(=O)C 3756c975ec875eed16019dae6c54cdcc [0,1,0,0,0,0|3,0,0]=4 113 B10R0.82 C#CC(C)OCC(C)C(=O)O 337f170e6b998331edd08ffc3e65b984 [0,1,0,0,0,0|2,0,1]=4 114 B10R0.82 C#C[C@@H](C)OCC(C)C(=O)O 7233bcc41833d6d17380a60cb8e86167 [0,1,0,0,0,0|2,0,1]=4 115 B10R0.82 C#C[C@H](C)OCC(C)C(=O)O 46d8d29e5832d12a3443e169fe8dd312 [0,1,0,0,0,0|2,0,1]=4 116 B10R0.82 C=C(C=O)OCC(=C)C(=O)O e877eff9c512a9be51781da61f01e2a3 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[0,1,0,0,0,0|2,0,1]=4 128 B10R0.82 CC(C=O)NCC(F)C(=O)O 6c2711640636be4883c0afb10fc199b0 [0,1,0,0,0,0|2,0,1]=4 129 B10R0.82 CC(C=O)NCC(O)C(=O)O cfd11c79f64e0debe07fb43ee2de4efe [0,1,0,0,0,0|2,0,1]=4 130 B10R0.82 CC(C=O)NC[C@@H](C)C(=O)O 2c5a3136e4c5ca7e87504375b9baa0ca [0,1,0,0,0,0|2,0,1]=4 131 B10R0.82 CC(C=O)NC[C@@H](O)C(=O)O 9d341ff13efa89815ded362073fddc31 [0,1,0,0,0,0|2,0,1]=4 132 B10R0.82 CC(C=O)NC[C@H](C)C(=O)O af34c01701832311292cb2a13a0c8f52 [0,1,0,0,0,0|2,0,1]=4 133 B10R0.82 CC(C=O)NC[C@H](O)C(=O)O ab2107fa3b826868e66bacf7572d59b5 [0,1,0,0,0,0|2,0,1]=4 134 B10R0.82 CC(C=O)OCC(C)C(=O)O 96629f353ed444e194a74635952eaac4 [0,1,0,0,0,0|1,0,1]=3 135 B10R0.82 CC(C=O)OC[C@@H](C)C(=O)O fb11f36f04b8ce3d90b95af89b40ae21 [0,1,0,0,0,0|1,0,1]=3 136 B10R0.82 CC(C=O)OC[C@H](C)C(=O)O 4025489ec66f2256d8911782f780a421 [0,1,0,0,0,0|1,0,1]=3 137 B10R0.82 CC(CF)OCC(C)C(=O)O 8b485ad5e0df9e7f94cfe125f05268ee [0,1,0,0,0,0|2,0,1]=4 138 B10R0.82 CC(CN[C@H](C)C=O)C(=O)O be75ff24b21ebc957df76b6fc1490a53 [0,1,0,0,0,0|2,0,1]=4 139 B10R0.82 CC(CO[C@H](C)C=O)C(=O)O 466905b35afc2a8862d86a5d85024853 [0,1,0,0,0,0|1,0,1]=3 140 B10R0.82 CC(CO[C@H](C)CS)C(=O)O d4a862a2b21ec28ed86b33182070161e [0,1,0,0,0,0|1,1,1]=4 141 B10R0.82 CC(CS)OCC(C)C(=O)O 6a381d8acd22152e99427d21155f9848 [0,1,0,0,0,0|1,1,1]=4 142 B10R0.82 CC(NCC(=O)CO)C(=O)O abf3245144be9d14f351db206f719f4f [0,1,0,0,0,0|3,0,0]=4 143 B10R0.82 CCC(=O)CNC(C)C(=O)O cdf370980b0768dbfdf2b57cdc924547 [0,1,0,0,0,0|3,0,0]=4 144 B10R0.82 CCC(=O)CNC(O)C(=O)O b3d7a00e2d60c907bdc0e4a2913e8fc1 [0,1,0,0,0,0|3,0,0]=4 145 B10R0.82 CCC(=O)CN[C@@H](C)C(=O)O c72be75e5615d5d6e1405f2e481e534b [0,1,0,0,0,0|3,0,0]=4 146 B10R0.82 CCC(=O)CN[C@H](C)C(=O)O fcd7351f41259c49ef2c2432f2bb2e2c [0,1,0,0,0,0|3,0,0]=4 147 B10R0.82 CCC(=O)COC(C)C(=O)O 72bfdf8bf40e00fb34161f9bb90d0125 [0,1,0,0,0,0|3,0,0]=4 148 B10R0.82 CCC(=O)CO[C@@H](C)C(=O)O 58982e7cfc0b6d9f94947d132eaed862 [0,1,0,0,0,0|3,0,0]=4 149 B10R0.82 CCC(=O)CO[C@H](C)C(=O)O d48fb54907296d2c72477ff2d32b98d1 [0,1,0,0,0,0|3,0,0]=4 150 B10R0.82 CCC(C)OCC(C)C(=O)O fef51914b5f50b6b3f826860bdf3beec [0,1,0,0,0,0|2,0,1]=4 151 B10R0.82 CCC(C)OC[C@@H](C)C(=O)O 127aee286a7c8753c9f4a1a8606c7fb6 [0,1,0,0,0,0|2,0,1]=4 152 B10R0.82 CCC(C)OC[C@H](C)C(=O)O 264348b162bd01bec4c55f35f8b9417d [0,1,0,0,0,0|2,0,1]=4 153 B10R0.82 CC[C@@H](C)OCC(C)C(=O)O c4799c6e888f8088ce9a4129b3deced2 [0,1,0,0,0,0|2,0,1]=4 154 B10R0.82 CC[C@H](C)OCC(C)C(=O)O 65a44931dc77db5ba367976f49c26c74 [0,1,0,0,0,0|2,0,1]=4 155 B10R0.82 CNC(=O)CNC(C)C(=O)O 6073785dcde2dda87c16d4913f1760aa [0,1,0,0,0,0|3,0,0]=4 156 B10R0.82 CNC(=O)CNC(O)C(=O)O f2867acff73909c81b49b9e2166c1353 [0,1,0,0,0,0|3,0,0]=4 157 B10R0.82 CNC(=O)CN[C@@H](C)C(=O)O 5432bc9416d5badf38d006b8e1b21a9f [0,1,0,0,0,0|3,0,0]=4 158 B10R0.82 CNC(=O)CN[C@H](C)C(=O)O 5f6dc2815135d3f26dc273b1af32dd97 [0,1,0,0,0,0|3,0,0]=4 159 B10R0.82 CNC(=O)COC(C)C(=O)O b9bbbff3840cac1cbab861e8d2316b24 [0,1,0,0,0,0|3,0,0]=4 160 B10R0.82 CNC(=O)CO[C@@H](C)C(=O)O dbedab8324151e169ba41f08598bb94d [0,1,0,0,0,0|3,0,0]=4 161 B10R0.82 CNC(=O)CO[C@H](C)C(=O)O e91f6b698ad3e17507eb57b4e60ddd3f [0,1,0,0,0,0|3,0,0]=4 162 B10R0.82 COC(=O)CNC(C)C(=O)O 2b8ea7bcf5edc6871e04a6944a9eb704 [0,1,0,0,0,0|3,0,0]=4 163 B10R0.82 COC(=O)CNC(O)C(=O)O 2e6139771a26de260004a291432c1c6e [0,1,0,0,0,0|3,0,0]=4 164 B10R0.82 COC(=O)CN[C@@H](C)C(=O)O 78d63e99478d20a9d5c26b5ce39e0822 [0,1,0,0,0,0|3,0,0]=4 165 B10R0.82 COC(=O)CN[C@H](C)C(=O)O 64e1d1b4c05d6414ca675c06139349cf [0,1,0,0,0,0|3,0,0]=4 166 B10R0.82 COC(=O)COC(C)C(=O)O 25f93c3513e5ba6fe88733186a7bb9a6 [0,1,0,0,0,0|3,0,0]=4 167 B10R0.82 COC(=O)CO[C@@H](C)C(=O)O 787aeb4c4b45533e468e4658c10fa0d4 [0,1,0,0,0,0|3,0,0]=4 168 B10R0.82 COC(=O)CO[C@H](C)C(=O)O aa2036d3a796ee8cb318fe6f329b93dd [0,1,0,0,0,0|3,0,0]=4 169 B10R0.82 C[C@@H](NCC(=O)CO)C(=O)O 46efafa7a141ca392fe536de28bb21f5 [0,1,0,0,0,0|3,0,0]=4 170 B10R0.82 C[C@H](C=O)NCC(F)C(=O)O 1af65f4897dd510de1fde8b6d75def2b [0,1,0,0,0,0|2,0,1]=4 171 B10R0.82 C[C@H](C=O)NCC(O)C(=O)O 8d66f87d3263d9dd3b5a3f0047c9a495 [0,1,0,0,0,0|2,0,1]=4 172 B10R0.82 C[C@H](C=O)NC[C@@H](C)C(=O)O eba0d932ddaef5f6a430ad72dcfbbde8 [0,1,0,0,0,0|2,0,1]=4 173 B10R0.82 C[C@H](C=O)NC[C@@H](O)C(=O)O 226f12c438878cad6010e33a3e0dc525 [0,1,0,0,0,0|2,0,1]=4 174 B10R0.82 C[C@H](C=O)NC[C@H](C)C(=O)O 33b1270cf7f730651e241ae68ac94c0c [0,1,0,0,0,0|2,0,1]=4 175 B10R0.82 C[C@H](C=O)NC[C@H](O)C(=O)O 7073fae2d13acad6b8a048413d4c4610 [0,1,0,0,0,0|2,0,1]=4 176 B10R0.82 C[C@H](C=O)OC[C@@H](C)C(=O)O 589a4ceb2d18e66a9ac2085ee942414b [0,1,0,0,0,0|1,0,1]=3 177 B10R0.82 C[C@H](C=O)OC[C@H](C)C(=O)O 1a27751afeee77a83d72265e1aa97bbf [0,1,0,0,0,0|1,0,1]=3 178 B10R0.82 C[C@H](NCC(=O)CO)C(=O)O 46c25b0052c3a05ce0f570c13381ac4b [0,1,0,0,0,0|3,0,0]=4 179 B10R0.82 O=C(CO)CNC(O)C(=O)O 58517e5ae5bb8cb51c98cd3ff98bbeab [0,1,0,0,0,0|3,0,0]=4 180 B10R0.84 CC(=O)CN[C@@H](CO)C(=O)O 1df15b950648cbd16fe4b77e2da47a49 [0,1,0,0,0,0|3,0,0]=4 181 B10R0.84 CCC(NCC(=O)C)C(=O)O d6728d936cc361f59cacb1dc49f582f7 [0,1,0,0,0,0|3,0,0]=4 182 B10R0.84 CC[C@@H](NCC(=O)C)C(=O)O 83894517348aec2818f50fa1afcb16dc [0,1,0,0,0,0|3,0,0]=4 183 B10R0.84 CC[C@H](NCC(=O)C)C(=O)O 7184b52fde72ff0b92950c6d921826af [0,1,0,0,0,0|3,0,0]=4 184 B10R0.93 CC(=O)C(C)NC(O)C(=O)O 9ac47acdae42b99f158a58b2fe0877d3 [0,1,0,0,0,0|3,0,0]=4 185 B10R1.117 CC(C)OCC1COC1=O dbb42de7ffc2373f0d8c8d2f136f3f97 [0,0,0,1,0,0|2,0,1]=4 186 B10R1.205 CC(COC1CC1)C(=O)O cb320b2cec7f77fb5002a5fca58dbe68 [0,0,0,1,0,0|2,0,1]=4 187 B10R1.205 C[C@@H](COC1CC1)C(=O)O 7df0da5d3a504aa40bd4d740de31ab70 [0,0,0,1,0,0|2,0,1]=4 188 B10R1.205 C[C@H](COC1CC1)C(=O)O e4dbec1ca2ea899d83870d081cfa5ce8 [0,0,0,1,0,0|2,0,1]=4 189 B10R1.349 CC(=O)N1CC(C1)C(=O)N 10dc662d41aa08cc78306aa0998f76bb [0,0,0,1,0,0|3,0,0]=4 190 B10R1.368 CC(C)O[C@@H]1C[C@@H]1C(=O)O 474e7e1b47e39c25bc09317dd7b78671 [0,0,0,1,0,0|2,0,1]=4 191 B10R1.368 CC(C)O[C@H]1C[C@@H]1C(=O)O e8ae7b427ce28e27c227e9808d5dcfd1 [0,0,0,1,0,0|2,0,1]=4 192 B10R1.368 CC(C)O[C@H]1C[C@H]1C(=O)O 0b360ef7271ecfeeb9af1d65d282df81 [0,0,0,1,0,0|2,0,1]=4 193 B8R0.23 CC(=O)NC(C)C(=O)N 69ea1b0fb4e1891bc844e1c81cd6f7ed [0,0,0,0,1,0|3,0,0]=4 194 B8R0.23 CC(=O)N[C@@H](C)C(=O)N 1daed479b13f5a4dee80df6bef80207a [0,0,0,0,1,0|3,0,0]=4 195 B8R0.23 CC(=O)N[C@H](C)C(=O)N d4ac5a93c8007d546d5eddc7f5fb26e4 [0,0,0,0,1,0|3,0,0]=4 196 B8R0.23 CC(C)OC(C)C(=O)O 0a58b34c739ceb5a5963c9b3548f472a [0,0,0,0,1,0|2,0,1]=4 197 B8R0.23 CC(C)O[C@@H](C)C(=O)O 3e6aa85ab276fb2f3b41c452e067b375 [0,0,0,0,1,0|2,0,1]=4 198 B8R0.23 CC(C)O[C@H](C)C(=O)O 3c1a1d8dc45ffece35d6cbe571959a73 [0,0,0,0,1,0|2,0,1]=4 199 B10R0.96 CC(=O)CCN(C)CC(=O)O dd24d39afc9cc4a3cd3e57abb29a9f5a [0,0,0,0,0,1|3,0,0]=4 200 B10R0.96 CC(=O)CNC(C)CC(=O)O 9922762b4751f95fd23c2191de00dd61 [0,0,0,0,0,1|3,0,0]=4 201 B10R0.96 CC(=O)COC(C)CC(=O)O bb69d0c6ff32a7c6ecd29d5aa6775036 [0,0,0,0,0,1|3,0,0]=4 202 B10R0.96 CC(=O)OCN(C)CC(=O)N 065f24c873815f090507f66df102acd4 [0,0,0,0,0,1|3,0,0]=4 203 B10R0.96 CC(=O)OCN(C)CC(=O)O 3723e4bd3419989ef1470ff107fb79d1 [0,0,0,0,0,1|2,0,0]=3 204 B10R0.98 C/C(=C/CNC(C)C(=O)O)/I 300126d21bd155e8343818f0a880e68f [0,0,0,0,0,1|3,0,0]=4 205 B10R0.98 C/C(=C/CNC(O)C(=O)O)/I 60ce0c46674da836771c52e1cba138d8 [0,0,0,0,0,1|3,0,0]=4 206 B10R0.98 C/C(=C/CN[C@@H](C)C(=O)O)/I 7324d7fd4fba8125f7fd72e742240369 [0,0,0,0,0,1|3,0,0]=4 207 B10R0.98 C/C(=C/CN[C@H](C)C(=O)O)/I f7968db6917b94f74943398e51d3eb4f [0,0,0,0,0,1|3,0,0]=4 208 B10R0.98 C/C(=C/COC(C)C(=O)O)/I 658ab45ec311ba2121a5d2de9bf57713 [0,0,0,0,0,1|3,0,0]=4 209 B10R0.98 C/C(=C/CO[C@@H](C)C(=O)O)/I 08723da5846e88efd79f47df65b604e8 [0,0,0,0,0,1|3,0,0]=4 210 B10R0.98 C/C(=C/CO[C@H](C)C(=O)O)/I 981f07de44f82565696864576a87f453 [0,0,0,0,0,1|3,0,0]=4 211 B10R0.98 C/C(=C\CNC(C)C(=O)O)/Cl ea683f908b44554e06c37b30cce89d13 [0,0,0,0,0,1|3,0,0]=4 212 B10R0.98 C/C(=C\CNC(O)C(=O)O)/Cl 97fac2680cb29050cbea4ae2f018a310 [0,0,0,0,0,1|3,0,0]=4 213 B10R0.98 C/C(=C\CN[C@@H](C)C(=O)O)/Cl 21e0b38c4e56949d389075f867babf83 [0,0,0,0,0,1|3,0,0]=4 214 B10R0.98 C/C(=C\CN[C@H](C)C(=O)O)/Cl ea7534c3b82b24180e5dcbb7ce921fb2 [0,0,0,0,0,1|3,0,0]=4 215 B10R0.98 C/C(=C\COC(C)C(=O)O)/Cl 6aebbc661e76f92400aa82cbbff8707d [0,0,0,0,0,1|3,0,0]=4 216 B10R0.98 C/C(=C\CO[C@@H](C)C(=O)O)/Cl f62fbd1d158a8f66ee2582f7e1e9531f [0,0,0,0,0,1|3,0,0]=4 217 B10R0.98 C/C(=C\CO[C@H](C)C(=O)O)/Cl 7cd970a7d72e5ab778bbadf6f8b0532c [0,0,0,0,0,1|3,0,0]=4 218 B10R0.98 C=C(Br)COCC(C)C(=O)O b48c08c4661880ad38ceaec3ea54a2df [0,0,0,0,0,1|2,0,1]=4 219 B10R0.98 C=C(Br)COC[C@@H](C)C(=O)O 612632d2b28ff85a87b0933fa382d912 [0,0,0,0,0,1|2,0,1]=4 220 B10R0.98 C=C(Br)COC[C@H](C)C(=O)O fba0e4c655922de1074a4a6c5e0285aa [0,0,0,0,0,1|2,0,1]=4 221 B10R0.98 C=C(C)CCNC(C)C(=O)O b0e0e4fd1004d6886a2c7bb1bac44ff4 [0,0,0,0,0,1|3,0,0]=4 222 B10R0.98 C=C(C)CCNC(O)C(=O)O 3a381811292a13207580c8c58da3c06c [0,0,0,0,0,1|3,0,0]=4 223 B10R0.98 C=C(C)CCN[C@@H](C)C(=O)O cf4d2e83ba1da80531ea16678389966e [0,0,0,0,0,1|3,0,0]=4 224 B10R0.98 C=C(C)CCN[C@H](C)C(=O)O c39d41be1a4b65b510a7cd65818f6800 [0,0,0,0,0,1|3,0,0]=4 225 B10R0.98 C=C(C)CNCC(C)C(=O)O 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CC(CNCC=O)C(=O)O dac1078447c82894577f75973cfad279 [1,1,0,0,0,0|2,0,0]=4 427 B9R0.47 CC(COCC=O)C(=O)O 7fbd7b6d90109bc51c632e75ba7efddb [1,1,0,0,0,0|1,0,0]=3 428 B9R0.47 CC(COCCF)C(=O)O 01ce687756d0dd1ab9f72a0c7b92f276 [1,1,0,0,0,0|1,0,1]=4 429 B9R0.47 CC(COCCS)C(=O)O 7f379f5afd379c32c0e55dbfb90e0420 [1,1,0,0,0,0|1,0,1]=4 430 B9R0.47 CC(NCCC=O)C(=O)O 9032b6ae341ecc05ab9895d4e328be23 [1,1,0,0,0,0|2,0,0]=4 431 B9R0.47 CC(OCCC=O)C(=O)O fafa8fe4978583817caa63220fee9dd0 [1,1,0,0,0,0|2,0,0]=4 432 B9R0.47 CC=CCNC(C)C(=O)O a9cc2297cb35b1ad3fe9ee799944523a [1,1,0,0,0,0|2,0,0]=4 433 B9R0.47 CC=CCNC(F)C(=O)O 3ecf0f914efe5924171372f807348f45 [1,1,0,0,0,0|2,0,0]=4 434 B9R0.47 CC=CCN[C@@H](C)C(=O)O 4a9509e144e13e18f69befac1ba24c23 [1,1,0,0,0,0|2,0,0]=4 435 B9R0.47 CC=CCN[C@@H](F)C(=O)O fc19f739ebe6dac724c715ade1a6c25e [1,1,0,0,0,0|2,0,0]=4 436 B9R0.47 CC=CCN[C@H](C)C(=O)O 887a52c63b6151c564386459e4c72979 [1,1,0,0,0,0|2,0,0]=4 437 B9R0.47 CCCOCC(C)C(=O)O ff2ba4e0a2c279fc884d0931d786ae76 [1,1,0,0,0,0|1,0,1]=4 438 B9R0.47 CCCOC[C@@H](C)C(=O)O 4a2415868647637e65ed1231682aaac2 [1,1,0,0,0,0|1,0,1]=4 439 B9R0.47 CCCOC[C@H](C)C(=O)O 706288de414bed30341fbfa56c954104 [1,1,0,0,0,0|1,0,1]=4 440 B9R0.47 CCOCNC(C)C(=O)O dfe10c13f6592b279307d8e83c8991d9 [1,1,0,0,0,0|1,0,1]=4 441 B9R0.47 CCOCNC(O)C(=O)O 2eaf68b0120e204516043043fab9491a [1,1,0,0,0,0|1,0,1]=4 442 B9R0.47 CCOCN[C@@H](C)C(=O)O f6fed97e3681e72514abbb327f6e55ff [1,1,0,0,0,0|1,0,1]=4 443 B9R0.47 CCOCN[C@H](C)C(=O)O 29650a66c22a04835dc99b3cf816f11d [1,1,0,0,0,0|1,0,1]=4 444 B9R0.47 COCOCC(C)C(=O)O 825d844e04641eb0c67ac1b06f1eb637 [1,1,0,0,0,0|1,0,1]=4 445 B9R0.47 COCOC[C@@H](C)C(=O)O adaa2caa52dd0ef544a35895f18c3c9a [1,1,0,0,0,0|1,0,1]=4 446 B9R0.47 COCOC[C@H](C)C(=O)O ea4f1e0e5bcf519933f11891eb54bc8e [1,1,0,0,0,0|1,0,1]=4 447 B9R0.47 CSCOCC(C)C(=O)O fdc02bbb43502f5c97aa6cc131ca3e7b [1,1,0,0,0,0|1,0,1]=4 448 B9R0.47 CSCOC[C@@H](C)C(=O)O f78b2b8375299d81220e5cc7d9e3dbfe [1,1,0,0,0,0|1,0,1]=4 449 B9R0.47 CSCOC[C@H](C)C(=O)O bcff4cb87e281e7aed01590d3e181462 [1,1,0,0,0,0|1,0,1]=4 450 B9R0.47 C[C@@H](CNCC=O)C(=O)O e33654e8187b4ae8c324725881dce1c7 [1,1,0,0,0,0|2,0,0]=4 451 B9R0.47 C[C@@H](COCC=O)C(=O)O 1d4ab92eb66f81b2707c37ddbb75112f [1,1,0,0,0,0|1,0,0]=3 452 B9R0.47 C[C@@H](COCCF)C(=O)O 669c921fce0e06bd678115eebc8c85f7 [1,1,0,0,0,0|1,0,1]=4 453 B9R0.47 C[C@@H](COCCS)C(=O)O dae5bc031e98558fade7cf9c9693a59f [1,1,0,0,0,0|1,0,1]=4 454 B9R0.47 C[C@@H](NCCC=O)C(=O)O 3ea3bd5fc346f6142e2da74891d56706 [1,1,0,0,0,0|2,0,0]=4 455 B9R0.47 C[C@@H](OCCC=O)C(=O)O 7d9692e827fc76ead2734fd35af8b1bf [1,1,0,0,0,0|2,0,0]=4 456 B9R0.47 C[C@H](CNCC=O)C(=O)O 554921e31b1acc8c59730b9fdc0f5b4c [1,1,0,0,0,0|2,0,0]=4 457 B9R0.47 C[C@H](COCC=O)C(=O)O eccd5f9a3d30ec5d0288d5705997f9dc [1,1,0,0,0,0|1,0,0]=3 458 B9R0.47 C[C@H](COCCF)C(=O)O 01b65224eebbd4f1edd7aef24e90fab9 [1,1,0,0,0,0|1,0,1]=4 459 B9R0.47 C[C@H](COCCS)C(=O)O 11c95f2941d4973124e2e18e075d4c11 [1,1,0,0,0,0|1,0,1]=4 460 B9R0.47 C[C@H](NCCC=O)C(=O)O 65f084f1001e100255a73258e44616cc [1,1,0,0,0,0|2,0,0]=4 461 B9R0.47 C[C@H](OCCC=O)C(=O)O 17a38e6749eb2ce6ebbf5c57cc327ebd [1,1,0,0,0,0|2,0,0]=4 462 B9R0.47 O=CCCNC(O)C(=O)O 4e588261d8c718aec57a1325859dcc05 [1,1,0,0,0,0|2,0,0]=4 463 B9R0.47 O=CCNCC(F)C(=O)O 3f0bf8fcf5035a43a4afc58572288589 [1,1,0,0,0,0|2,0,0]=4 464 B9R0.47 O=CCNCC(O)C(=O)O 6d274d8b5f82feb8a38e2005a642350d [1,1,0,0,0,0|2,0,0]=4 465 B9R0.47 O=CCNC[C@@H](O)C(=O)O 927801bc9fed5ca554f9ee4c79b9bd46 [1,1,0,0,0,0|2,0,0]=4 466 B9R0.47 O=CCNC[C@H](O)C(=O)O c9237b4f784ae2a0bbd471ccfc266b51 [1,1,0,0,0,0|2,0,0]=4 467 B9R0.51 CCOCC(C)(C)C(=O)O 582231cebb5c80114745be067d5573aa [1,1,0,0,0,0|1,0,1]=4 468 B9R0.1 C#CC(C)OCCC(=O)O ca456cda53aab7a3e9ddc1555a141e4b [1,1,0,0,0,0|1,0,1]=4 469 B9R0.1 C#C[C@@H](C)OCCC(=O)O 5e9b30e37e8c265f10c7585c2f2ca95a [1,1,0,0,0,0|1,0,1]=4 470 B9R0.1 C#C[C@H](C)OCCC(=O)O 017cc2bf4609698c2e4663c93f9a5f21 [1,1,0,0,0,0|1,0,1]=4 471 B9R0.1 C=C(C=O)OCCC(=O)C 97a9b3feed550bdad7937f32f13706da [1,1,0,0,0,0|1,0,1]=4 472 B9R0.1 C=C(C=O)OCCC(=O)N 2ae20a53c97b56e8bdaf756aa206d8b7 [1,1,0,0,0,0|1,0,1]=4 473 B9R0.1 C=C(C=O)OCCC(=O)O 35d50609715764246002b9771a442b1d [1,1,0,0,0,0|0,0,1]=3 474 B9R0.1 C=C(C=O)OCOC(=O)C 67e8655917f2709f8403cee780d51fab [1,1,0,0,0,0|2,0,0]=4 475 B9R0.1 C=CC(C)OCCC(=O)O 715e83dec8bd7b5ea255c0588e4ec66b [1,1,0,0,0,0|1,0,1]=4 476 B9R0.1 C=C[C@H](C)OCCC(=O)O 713b61bf87b3acb53853822b10178bd4 [1,1,0,0,0,0|1,0,1]=4 477 B9R0.1 CC(=O)CCOC(C)C=O cb160a994c939e385607c4106d0006ba [1,1,0,0,0,0|1,0,1]=4 478 B9R0.1 CC(=O)CCO[C@H](C)C=O 0cefdf85f806832833faf787e48b718b [1,1,0,0,0,0|1,0,1]=4 479 B9R0.1 CC(=O)CNCC(=O)CO a884728253f1dbd88805a142b0c876b6 [1,1,0,0,0,0|2,0,0]=4 480 B9R0.1 CC(=O)NCCC(=O)NO 7869db29b1010d2c8be4de04860ee1c2 [1,1,0,0,0,0|1,0,0]=3 481 B9R0.1 CC(C=O)NCCC(=O)O c047f24fc3d15f3badbf76260054cc9f [1,1,0,0,0,0|1,0,1]=4 482 B9R0.1 CC(C=O)OCCC(=O)N 723758d0da03869338ad7f140180561f [1,1,0,0,0,0|1,0,1]=4 483 B9R0.1 CC(C=O)OCCC(=O)O 056bb2d7d93cc893e2815e75c928f63b [1,1,0,0,0,0|0,0,1]=3 484 B9R0.1 CC(CF)OCCC(=O)O e6767e000962bf0da8753ce7298bf1cf [1,1,0,0,0,0|1,0,1]=4 485 B9R0.1 CCC(=O)CNCC(=O)O 7018cc82507b5cf3388be4a1b0a3b91b [1,1,0,0,0,0|2,0,0]=4 486 B9R0.1 CCC(=O)COCC(=O)O 1a72a234de91ee3fa394daead68a119d [1,1,0,0,0,0|2,0,0]=4 487 B9R0.1 CCC(=O)NCCC(=O)N 17f638fb9136d22630942c7277f78330 [1,1,0,0,0,0|2,0,0]=4 488 B9R0.1 CCC(=O)NCCS(=O)O 47bf6ac1d2cd1854145b39436f351711 [1,1,0,0,0,0|2,0,0]=4 489 B9R0.1 CCC(C)OCCC(=O)O 861df1c98ebd5a3521ba6de3206bc80e [1,1,0,0,0,0|1,0,1]=4 490 B9R0.1 CC[C@@H](C)OCCC(=O)O 460df0b016032744699dec10515440f9 [1,1,0,0,0,0|1,0,1]=4 491 B9R0.1 CC[C@H](C)OCCC(=O)O 8aec70cd34e530a63d290d1ba3130012 [1,1,0,0,0,0|1,0,1]=4 492 B9R0.1 CNC(=O)CCNC(=O)C f3a3033dad8e1aab7fc770fc0743d310 [1,1,0,0,0,0|2,0,0]=4 493 B9R0.1 CNC(=O)CNCC(=O)O 85a5f672fadbc6f9ef6de9a2a956af16 [1,1,0,0,0,0|2,0,0]=4 494 B9R0.1 CNC(=O)COCC(=O)O 006fa27b5ff6a2a3b9b7bdadb3a8cf78 [1,1,0,0,0,0|2,0,0]=4 495 B9R0.1 COC(=O)CCNC(=O)C e469e5b7d171861926dc52d0d008b43a [1,1,0,0,0,0|1,0,0]=3 496 B9R0.1 COC(=O)CCOC(C)C 60b3b0e4ed197bd9b785527450b784a6 [1,1,0,0,0,0|1,0,1]=4 497 B9R0.1 COC(=O)CNCC(=O)C 2ffbe56641f2b1b2f85d79518ab23ece [1,1,0,0,0,0|2,0,0]=4 498 B9R0.1 COC(=O)CNCC(=O)O d413351b1bd64263dc30d4f78e9bad17 [1,1,0,0,0,0|2,0,0]=4 499 B9R0.1 COC(=O)COCC(=O)C c6badf6770087930f6d233ff5221dfc5 [1,1,0,0,0,0|2,0,0]=4 500 B9R0.1 COC(=O)COCC(=O)O ffa9d3a5a545c2957a369e509906e94d [1,1,0,0,0,0|2,0,0]=4 501 B9R0.1 C[C@H](C=O)NCCC(=O)O 568b307ebcb4ab5b4df113dd91c9a6dc [1,1,0,0,0,0|1,0,1]=4 502 B9R0.1 C[C@H](C=O)OCCC(=O)N 6c390f4a6745397018a94d322ce456f3 [1,1,0,0,0,0|1,0,1]=4 503 B9R0.1 C[C@H](C=O)OCCC(=O)O 6123759046df411af3794a1ca6644131 [1,1,0,0,0,0|0,0,1]=3 504 B9R0.1 NC(=O)CCNC(=O)CF 5ba9803b3f58c21cd9f08d27be2ab1ba [1,1,0,0,0,0|2,0,0]=4 505 B9R0.1 NC(=O)CCNC(=O)CO 5172be9062702a142cc19e2483b96198 [1,1,0,0,0,0|2,0,0]=4 506 B9R0.1 NC(=O)CCNC(=O)CS 2fe1d732c0537625a14477e9fbdf6ffa [1,1,0,0,0,0|2,0,0]=4 507 B9R0.1 O=C(CF)NCCS(=O)O f6ca8e03e2da3150852cfa5cc8f03146 [1,1,0,0,0,0|2,0,0]=4 508 B9R0.1 O=C(CO)NCCS(=O)O 76d39b86c6bcc56fa85783a1b981cfd5 [1,1,0,0,0,0|2,0,0]=4 509 B9R0.1 O=C(CS)NCCS(=O)O b835c310d0b5190a6c17d4d14c9b78d2 [1,1,0,0,0,0|2,0,0]=4 510 B9R0.1 O=C(O)CNCC(=O)CO 67ffc001715ccd674ca2190fd74d727d [1,1,0,0,0,0|2,0,0]=4 511 B9R0.53 CC(C)OC(C)CC(=O)O acd7e8b77db52152b38441c0f09dd249 [1,1,0,0,0,0|1,0,1]=4 512 B9R0.53 CC(C)O[C@@H](C)CC(=O)O dc36387ca698e3189cbbcbaa8e6d5745 [1,1,0,0,0,0|1,0,1]=4 513 B9R0.53 CC(C)O[C@H](C)CC(=O)O f085fe61e3ea06f844e5841e23963683 [1,1,0,0,0,0|1,0,1]=4 514 B9R0.56 CC(=O)NCCS(=O)(=O)O c053345e0f02d01d048af65c3537a20f [1,1,0,0,0,0|2,0,0]=4 515 B11R0.93 COC(=O)CN(C)COC(=O)C 7595f92770143a2d1923e20615b55a37 [0,1,0,0,0,1|2,0,0]=4 516 B11R0.107 CCC(=O)OCN(C)CC(=O)O e895b80fee474d6148852ec313f2871a [0,1,0,0,0,1|2,0,0]=4 517 B11R0.107 COC(=O)OCN(C)CC(=O)O 7489fba20f8ac9bdcf77633c6ed66c25 [0,1,0,0,0,1|2,0,0]=4 518 B11R0.143 CCN(COC(=O)C)CC(=O)O f3f6da181cf7299b81659d7726dd2520 [0,1,0,0,0,1|2,0,0]=4 519 B11R0.149 CC(=O)OC(C)N(C)CC(=O)O 31fe6272ad5415e06f047b5dcb59b584 [0,1,0,0,0,1|2,0,0]=4 520 B11R0.173 CC(=O)OCN(C)C(C)C(=O)O ee3d6c046bd895d2efb5b968a3f00173 [0,1,0,0,0,1|2,0,0]=4 521 B11R0.173 CC(=O)OCN(C)[C@@H](C)C(=O)O ecca2bf6eba1afacaf110c157e333198 [0,1,0,0,0,1|2,0,0]=4 522 B11R0.173 CC(=O)OCN(C)[C@H](C)C(=O)O 9f2c507b867403c05d102c7f6a048de9 [0,1,0,0,0,1|2,0,0]=4 523 B11R0.109 C/C(=C\I)/COCC(C)C(=O)O 19add1f9408f47122396a1ef26ced0c2 [0,1,0,0,0,1|2,0,0]=4 524 B11R0.109 C=C(CC)COCC(C)C(=O)O 207ec9253dbbcd8baf9e8ea9deb6dc50 [0,1,0,0,0,1|2,0,0]=4 525 B11R0.109 C=C(CC)COC[C@@H](C)C(=O)O ce73f707c909703ec56f75d022fc573f [0,1,0,0,0,1|2,0,0]=4 526 B11R0.109 C=C(CC)COC[C@H](C)C(=O)O 4ea4049f19bec992cc82a3b56394bade [0,1,0,0,0,1|2,0,0]=4 527 B11R0.109 C=C(COCC(=O)CC)C(=O)O bd9928b836dac1988e43b98fb4f098aa [0,1,0,0,0,1|1,0,1]=4 528 B11R0.109 C=C(COCC(=O)NC)C(=O)O 5bba394bd42d2efa3070a8ac3ca37c28 [0,1,0,0,0,1|1,0,1]=4 529 B11R0.109 C=C(COCC(=O)OC)C(=O)O d6ccebcc9ab3496370a771bef78409f1 [0,1,0,0,0,1|1,0,1]=4 530 B11R0.109 C=C(COCC(C)C(=O)O)OC 3a1890c42fa252b9ea0895f9aaa0ba93 [0,1,0,0,0,1|2,0,0]=4 531 B11R0.109 C=C(COC[C@@H](C)C(=O)O)OC 07a5c0566192609545e9c8c156bd4323 [0,1,0,0,0,1|2,0,0]=4 532 B11R0.109 C=C(COC[C@H](C)C(=O)O)OC 50e5f080bb25220a0a55578f2157d120 [0,1,0,0,0,1|2,0,0]=4 533 B11R0.109 CC(=CI)COCC(C)C(=O)O d728a2db6581e15f054d35b13abe9f5d [0,1,0,0,0,1|2,0,0]=4 534 B11R0.109 CC(CNCC(=O)CO)C(=O)O 63147b44dd759919d8aed43a53391eb4 [0,1,0,0,0,1|2,0,0]=4 535 B11R0.109 CCC(=O)CNCC(C)C(=O)O 85ec01ff277edcb3b31903f48deb94c8 [0,1,0,0,0,1|2,0,0]=4 536 B11R0.109 CCC(=O)CNCC(F)C(=O)O 116247e99367ab5d57f6162abbfda131 [0,1,0,0,0,1|2,0,0]=4 537 B11R0.109 CCC(=O)CNCC(O)C(=O)O 3ab0f4ef5e6103deeb535fb1f0e149c3 [0,1,0,0,0,1|2,0,0]=4 538 B11R0.109 CCC(=O)CNC[C@@H](C)C(=O)O 72630aee5ba884e196b5756ef12b97c9 [0,1,0,0,0,1|2,0,0]=4 539 B11R0.109 CCC(=O)CNC[C@@H](O)C(=O)O 540dbbbee4f37dd4ab275cf5fda5d9f0 [0,1,0,0,0,1|2,0,0]=4 540 B11R0.109 CCC(=O)CNC[C@H](C)C(=O)O 20402b721da721a088563a5b42a4b5ae [0,1,0,0,0,1|2,0,0]=4 541 B11R0.109 CCC(=O)CNC[C@H](O)C(=O)O 60bc37c0715c6923e23a7a478398a9f5 [0,1,0,0,0,1|2,0,0]=4 542 B11R0.109 CCC(=O)COCC(C)C(=O)C 2ca5b6a243fa2e37e8688467233082d2 [0,1,0,0,0,1|2,0,0]=4 543 B11R0.109 CCC(=O)COCC(C)C(=O)O f5a04a30bfe936de299fc1d459ae6f80 [0,1,0,0,0,1|1,0,0]=3 544 B11R0.109 CCC(=O)COC[C@@H](C)C(=O)O b598fb6119cb095f0cec74c3e125ea4b [0,1,0,0,0,1|1,0,0]=3 545 B11R0.109 CCC(=O)COC[C@H](C)C(=O)O 56f6e698c6d1f2195b4b2f374d9da2ed [0,1,0,0,0,1|1,0,0]=3 546 B11R0.109 CCC(=O)OCNC(O)C(=O)O fe78a9276850217e815704d912872c7e [0,1,0,0,0,1|1,0,0]=3 547 B11R0.109 CCC(=O)OCOC(C)C(=O)C 39c59dfcffda52f843c99f96d474da0a [0,1,0,0,0,1|2,0,0]=4 548 B11R0.109 CCC(=O)OCOC(C)C(=O)N 12d4a2d0d9b0c6f682c703c5ff4778fa [0,1,0,0,0,1|2,0,0]=4 549 B11R0.109 CCC(=O)OCO[C@@H](C)C(=O)N 1a23cf4ba65cffb56b60ff53be3806a7 [0,1,0,0,0,1|2,0,0]=4 550 B11R0.109 CCC(=O)OCO[C@H](C)C(=O)N efc6f2fdc2d677ef7e13980934c6863c [0,1,0,0,0,1|2,0,0]=4 551 B11R0.109 CNC(=O)CCNC(C)C(=O)O 45794e6184b9ec941ce0c8f527413c5e [0,1,0,0,0,1|2,0,0]=4 552 B11R0.109 CNC(=O)CCNC(O)C(=O)O 1148806cd4ef205e87cd275beab7158a [0,1,0,0,0,1|2,0,0]=4 553 B11R0.109 CNC(=O)CCN[C@@H](C)C(=O)O 26284d573a5847ce436ada2ef93a3acf [0,1,0,0,0,1|2,0,0]=4 554 B11R0.109 CNC(=O)CCN[C@H](C)C(=O)O 29fbd0b1563e9f8ecd2ce3943ebe1bf4 [0,1,0,0,0,1|2,0,0]=4 555 B11R0.109 CNC(=O)CNCC(C)C(=O)O 7900c689551984fb0229c3333fac3eab [0,1,0,0,0,1|2,0,0]=4 556 B11R0.109 CNC(=O)CNCC(F)C(=O)O e624d3ebfbf4db932c2230b0c9c1b69d [0,1,0,0,0,1|2,0,0]=4 557 B11R0.109 CNC(=O)CNCC(O)C(=O)O c973015ec13e511a7979bc2dc77de4b2 [0,1,0,0,0,1|2,0,0]=4 558 B11R0.109 CNC(=O)CNC[C@@H](C)C(=O)O d0cee65cdf247be2938b03fc30051093 [0,1,0,0,0,1|2,0,0]=4 559 B11R0.109 CNC(=O)CNC[C@@H](O)C(=O)O 21b6e57595527abf0546630e38159b20 [0,1,0,0,0,1|2,0,0]=4 560 B11R0.109 CNC(=O)CNC[C@H](C)C(=O)O fa5d080035ce748af0aab9784bffd0a5 [0,1,0,0,0,1|2,0,0]=4 561 B11R0.109 CNC(=O)CNC[C@H](O)C(=O)O 321799603f411fb15877b9a4a5f1d111 [0,1,0,0,0,1|2,0,0]=4 562 B11R0.109 CNC(=O)COCC(C)C(=O)C e40e00069d8695ed927cc491adf5b83e [0,1,0,0,0,1|2,0,0]=4 563 B11R0.109 CNC(=O)COCC(C)C(=O)O 32c084d15e4a764aba7f5e880811a9f0 [0,1,0,0,0,1|1,0,0]=3 564 B11R0.109 CNC(=O)COC[C@@H](C)C(=O)O f4a02fddb7f27c03febd8126f9da5bde [0,1,0,0,0,1|1,0,0]=3 565 B11R0.109 CNC(=O)COC[C@H](C)C(=O)O cb0f1db5e5c7ddc8ebed598b04e299bc [0,1,0,0,0,1|1,0,0]=3 566 B11R0.109 COC(=O)CCNC(C)C(=O)O 2020682ea82e48284c5dbccc09806eb2 [0,1,0,0,0,1|2,0,0]=4 567 B11R0.109 COC(=O)CCNC(O)C(=O)O fd06046494d5a7e6006e10a6c8e839c0 [0,1,0,0,0,1|2,0,0]=4 568 B11R0.109 COC(=O)CCN[C@@H](C)C(=O)O 8fd06f9d63b12479407cef3ca85dd4f7 [0,1,0,0,0,1|2,0,0]=4 569 B11R0.109 COC(=O)CCN[C@H](C)C(=O)O ea74c248da88c611967780cb409279e8 [0,1,0,0,0,1|2,0,0]=4 570 B11R0.109 COC(=O)CCOC(C)C(=O)O b8f083663450983dd6bd562f58468b7f [0,1,0,0,0,1|2,0,0]=4 571 B11R0.109 COC(=O)CCO[C@@H](C)C(=O)O 7944054bdca036866203c8ad5f8ca543 [0,1,0,0,0,1|2,0,0]=4 572 B11R0.109 COC(=O)CCO[C@H](C)C(=O)O 82bd664f8e889a9802fff28241a5f4c9 [0,1,0,0,0,1|2,0,0]=4 573 B11R0.109 COC(=O)CNCC(C)C(=O)O 6e25003571e51ed92774fe8bd498da96 [0,1,0,0,0,1|2,0,0]=4 574 B11R0.109 COC(=O)CNCC(F)C(=O)O 2a696977cc46baeb83b43d37d1228c5c [0,1,0,0,0,1|2,0,0]=4 575 B11R0.109 COC(=O)CNCC(O)C(=O)O fa8e06b4c25b66a65ad01b4e99ed847b [0,1,0,0,0,1|2,0,0]=4 576 B11R0.109 COC(=O)CNC[C@@H](C)C(=O)O 4ab8ccc21afc8ab5ec5b0134c437d9eb [0,1,0,0,0,1|2,0,0]=4 577 B11R0.109 COC(=O)CNC[C@@H](O)C(=O)O cd0903e595f543aa5eb9ce8338d43741 [0,1,0,0,0,1|2,0,0]=4 578 B11R0.109 COC(=O)CNC[C@H](C)C(=O)O 317497e5cc2afccb1141ce67959eee0e [0,1,0,0,0,1|2,0,0]=4 579 B11R0.109 COC(=O)CNC[C@H](O)C(=O)O 28df51c686e23ef7de5515fd52de43b7 [0,1,0,0,0,1|2,0,0]=4 580 B11R0.109 COC(=O)COCC(=O)C(=O)O 76e21ede1e3e652a7f89d589c3944103 [0,1,0,0,0,1|1,0,1]=4 581 B11R0.109 COC(=O)COCC(C)C(=O)C b3c35b97a269d9d46c4ad0f2148636f9 [0,1,0,0,0,1|2,0,0]=4 582 B11R0.109 COC(=O)COCC(C)C(=O)O 6bb2573493d0331368e98d2c4312e4ee [0,1,0,0,0,1|1,0,0]=3 583 B11R0.109 COC(=O)COC[C@@H](C)C(=O)O d8323675950d8a2c1972b859f0bb7ec9 [0,1,0,0,0,1|1,0,0]=3 584 B11R0.109 COC(=O)COC[C@H](C)C(=O)O bb9f7e423cd5cc59b57c58df7b545d1d [0,1,0,0,0,1|1,0,0]=3 585 B11R0.109 COC(=O)OCNC(C)C(=O)N 1c42fa8acd67796346ca6db38db32cb5 [0,1,0,0,0,1|2,0,0]=4 586 B11R0.109 COC(=O)OCNC(C)C(=O)O 691414391a4771abb11886c49650bc52 [0,1,0,0,0,1|1,0,0]=3 587 B11R0.109 COC(=O)OCNC(O)C(=O)O 69365b5706d560b8a0a4bd9eae79cebe [0,1,0,0,0,1|1,0,0]=3 588 B11R0.109 COC(=O)OCN[C@@H](C)C(=O)N 208b33b0fadaf320ea0eac76c7de4cf6 [0,1,0,0,0,1|2,0,0]=4 589 B11R0.109 COC(=O)OCN[C@@H](C)C(=O)O 33b3ed3c19c8f9a998e98d5ebe390139 [0,1,0,0,0,1|1,0,0]=3 590 B11R0.109 COC(=O)OCN[C@H](C)C(=O)N 4ea75b70d6664120d9b750ffdc9ba2a7 [0,1,0,0,0,1|2,0,0]=4 591 B11R0.109 COC(=O)OCN[C@H](C)C(=O)O daef0207d45744df5135cc39f05c6d60 [0,1,0,0,0,1|1,0,0]=3 592 B11R0.109 COC(=O)OCOC(C)C(=O)C 09a6b77abd25e3bb764d46c1b32c2abf [0,1,0,0,0,1|2,0,0]=4 593 B11R0.109 COC(=O)OCOC(C)C(=O)N f40f052e1d6940d6ccd1639e9e743e01 [0,1,0,0,0,1|2,0,0]=4 594 B11R0.109 COC(=O)OCO[C@@H](C)C(=O)N 0fa25596adcfb77a861f791342bccaf9 [0,1,0,0,0,1|2,0,0]=4 595 B11R0.109 COC(=O)OCO[C@H](C)C(=O)N b9e4dc3ce2a80900712833eae3d7dfd4 [0,1,0,0,0,1|2,0,0]=4 596 B11R0.109 C[C@@H](CNCC(=O)CO)C(=O)O 445fc2216d7f5e5d94de405429a3a00e [0,1,0,0,0,1|2,0,0]=4 597 B11R0.109 C[C@H](CNCC(=O)CO)C(=O)O e130650ae172e7a4995c46178d162ff8 [0,1,0,0,0,1|2,0,0]=4 598 B11R0.109 O=C(CO)CNCC(F)C(=O)O 098a1efccc9adaddcb720e72fdea52a0 [0,1,0,0,0,1|2,0,0]=4 599 B11R0.109 O=C(CO)CNCC(O)C(=O)O fdef5bffa9b0f0a879f18b25f06c69eb [0,1,0,0,0,1|2,0,0]=4 600 B11R0.109 O=C(CO)CNC[C@@H](O)C(=O)O bfa7a51d20d6004db4d1848959552419 [0,1,0,0,0,1|2,0,0]=4 601 B11R0.109 O=C(CO)CNC[C@H](O)C(=O)O 7623f7d0a3829dbab42c58aa5de7215e [0,1,0,0,0,1|2,0,0]=4 602 B11R0.145 C=C(C)COCC(C)C(=O)OC 8a2e2e97fdc1791f223816c003a30cd1 [0,1,0,0,0,1|2,0,0]=4 603 B11R0.145 C=C(C)COCC(F)C(=O)OC f4757eb0091b16ea4ba2fd6570744eeb [0,1,0,0,0,1|2,0,0]=4 604 B11R0.145 C=C(C)COC[C@@H](C)C(=O)OC 3ac73c2d0fb8cbc1ed5be0bc8a6d1b9b [0,1,0,0,0,1|2,0,0]=4 605 B11R0.145 C=C(C)COC[C@H](C)C(=O)OC 33bb779e9e5dae96d8deec7a26839d69 [0,1,0,0,0,1|2,0,0]=4 606 B11R0.145 C=C(COCC(=O)C)C(=O)OC aea4299d095f6817ad97e74f2df219a7 [0,1,0,0,0,1|1,0,1]=4 607 B11R0.145 CNC(=O)C(C)NCOC(=O)C 3e67601396ac85f09b02462820d53a17 [0,1,0,0,0,1|2,0,0]=4 608 B11R0.145 COC(=O)C(=O)COCC(=O)C 3e066d207be5465a889083ed2dc0e798 [0,1,0,0,0,1|1,0,1]=4 609 B11R0.145 COC(=O)C(C)CNCC(=O)C b7cc3e8f679616b88e23dfde856420ad [0,1,0,0,0,1|2,0,0]=4 610 B11R0.145 COC(=O)C(C)COCC(=O)C e331a33893fff1569baa0264fa5ffec6 [0,1,0,0,0,1|1,0,0]=3 611 B11R0.145 COC(=O)C(C)COCC(=O)N 9e05075214adb874bbe47e55c67eb0a7 [0,1,0,0,0,1|2,0,0]=4 612 B11R0.145 COC(=O)C(C)COCC(=O)O f3bc3b4890252c6d82a8332368f94723 [0,1,0,0,0,1|2,0,0]=4 613 B11R0.145 COC(=O)C(C)OCCC(=O)C 95f0512dbc5fabc922aa59d5e3acef4b [0,1,0,0,0,1|2,0,0]=4 614 B11R0.145 COC(=O)C(C)OCOC(=O)C 9b02d1975f3274f7cb4b0645009eebdd [0,1,0,0,0,1|1,0,0]=3 615 B11R0.145 COC(=O)C(F)COCC(=O)N 649d8f48ac198388b16bf6f18f3af727 [0,1,0,0,0,1|2,0,0]=4 616 B11R0.145 COC(=O)C(F)COCC(=O)O 5d13d5ad14be1d0e87907bda6870accc [0,1,0,0,0,1|2,0,0]=4 617 B11R0.145 COC(=O)C(O)CNCC(=O)C 3c7a85763a048a09f8a16f432312a9d8 [0,1,0,0,0,1|2,0,0]=4 618 B11R0.145 COC(=O)[C@@H](C)CNCC(=O)C 3ed81e23b264851ba5858d180d8eaf3d [0,1,0,0,0,1|2,0,0]=4 619 B11R0.145 COC(=O)[C@@H](C)COCC(=O)C c064b78a93188998f4317687694810bb [0,1,0,0,0,1|1,0,0]=3 620 B11R0.145 COC(=O)[C@@H](C)COCC(=O)N dbbc8ec3f9a281cbcc7a3ada3040ca9b [0,1,0,0,0,1|2,0,0]=4 621 B11R0.145 COC(=O)[C@@H](C)COCC(=O)O 7e8e047208a86757da7a98302b7e954f [0,1,0,0,0,1|2,0,0]=4 622 B11R0.145 COC(=O)[C@@H](C)OCCC(=O)C 9206a750466060492dcc873ab9fb4c3d [0,1,0,0,0,1|2,0,0]=4 623 B11R0.145 COC(=O)[C@@H](C)OCOC(=O)C 996ca6b629e92b0cd9ff29ca2c406987 [0,1,0,0,0,1|1,0,0]=3 624 B11R0.145 COC(=O)[C@H](C)CNCC(=O)C a2e77f0a2323cbf5564bc899d776c7af [0,1,0,0,0,1|2,0,0]=4 625 B11R0.145 COC(=O)[C@H](C)COCC(=O)C 18ec210b622c02cfc94688de539c5bd3 [0,1,0,0,0,1|1,0,0]=3 626 B11R0.145 COC(=O)[C@H](C)COCC(=O)N 29e57a8ebf3afc615787ccecefcf6693 [0,1,0,0,0,1|2,0,0]=4 627 B11R0.145 COC(=O)[C@H](C)COCC(=O)O 2687b627d867287cfdf2f1d29102e7c0 [0,1,0,0,0,1|2,0,0]=4 628 B11R0.145 COC(=O)[C@H](C)OCCC(=O)C 49db281b832f626f27f854c7d81e2aed [0,1,0,0,0,1|2,0,0]=4 629 B11R0.145 COC(=O)[C@H](C)OCOC(=O)C 5bdbfb74b03092a996e291f81f25f1f4 [0,1,0,0,0,1|1,0,0]=3 630 B11R0.150 C=C(COC(C)C(=O)C)C(=O)O 090840aefa22ba3db373d50b9b7c23a4 [0,1,0,0,0,1|1,0,1]=4 631 B11R0.150 CC(=O)C(=O)CNC(C)C(=O)O 505fe66f28c187f554681c994179f574 [0,1,0,0,0,1|2,0,0]=4 632 B11R0.150 CC(=O)C(=O)CNC(O)C(=O)O a1b91b64de0625de70ee45691f73c9fc [0,1,0,0,0,1|2,0,0]=4 633 B11R0.150 CC(=O)C(=O)CN[C@@H](C)C(=O)O ad61a33b3f43c0bba0403ba639222028 [0,1,0,0,0,1|2,0,0]=4 634 B11R0.150 CC(=O)C(=O)CN[C@H](C)C(=O)O 73155e6189c3c27009f35165171e0142 [0,1,0,0,0,1|2,0,0]=4 635 B11R0.150 CC(=O)C(C)COC(C)C(=O)C 687cc2b919e09c1f5e7d0845cba7d8e8 [0,1,0,0,0,1|2,0,0]=4 636 B11R0.150 CC(=O)C(C)NCC(C)C(=O)O 961a721591f1a1b517d3343778f863d9 [0,1,0,0,0,1|2,0,0]=4 637 B11R0.150 CC(=O)C(C)NCC(O)C(=O)O 24577ed960a65001770a066bd2fcabf7 [0,1,0,0,0,1|2,0,0]=4 638 B11R0.150 CC(=O)C(C)NC[C@@H](C)C(=O)O ca13885f087fff47a1f20896b244a71e [0,1,0,0,0,1|2,0,0]=4 639 B11R0.150 CC(=O)C(C)NC[C@@H](O)C(=O)O 462ef8583f50c5ecc07d8c9e2f06583e [0,1,0,0,0,1|2,0,0]=4 640 B11R0.150 CC(=O)C(C)NC[C@H](C)C(=O)O 81d35b597e9a80c1c17076cd809a2627 [0,1,0,0,0,1|2,0,0]=4 641 B11R0.150 CC(=O)C(C)NC[C@H](O)C(=O)O baa79be0f3c0e779ed8f81e194854d2e [0,1,0,0,0,1|2,0,0]=4 642 B11R0.150 CC(=O)C(C)OCC(C)C(=O)O 8d01063e883efbd492aa51392f2ce58a [0,1,0,0,0,1|1,0,0]=3 643 B11R0.150 CC(COC(C)C(=O)N)C(=O)O c7933f448f2aa76b32e162ba74434d7a [0,1,0,0,0,1|2,0,0]=4 644 B11R0.150 CC(COC(C)C(=O)O)C(=O)O f5458921ab0e52239e68ece678523b6e [0,1,0,0,0,1|2,0,0]=4 645 B11R0.150 CC(CO[C@@H](C)C(=O)N)C(=O)O 91d1c0a260a0cf86205ee8aa47247d80 [0,1,0,0,0,1|2,0,0]=4 646 B11R0.150 CC(CO[C@@H](C)C(=O)O)C(=O)O ac1c12a6e910708371b4c8cc2ed031c8 [0,1,0,0,0,1|2,0,0]=4 647 B11R0.150 CC(CO[C@H](C)C(=O)N)C(=O)O 06b38c1f9e7dbc2dd400e95f67c2237b [0,1,0,0,0,1|2,0,0]=4 648 B11R0.150 CC(CO[C@H](C)C(=O)O)C(=O)O e1f3c9772ad0d1c347f08b4c2a3c3f1f [0,1,0,0,0,1|2,0,0]=4 649 B11R0.202 C=C(C)COCC(C)(C)C(=O)O 1cc7cf788614f06d0960223253fa876e [0,1,0,0,0,1|2,0,0]=4 650 B11R0.202 C=C(C)COCC(C)(O)C(=O)O dedeca63649d82770937e15cfaa02d17 [0,1,0,0,0,1|2,0,0]=4 651 B11R0.202 C=C(C)COC[C@@](C)(O)C(=O)O 01650f264425d63290359c1fcf5a2e3d [0,1,0,0,0,1|2,0,0]=4 652 B11R0.202 C=C(C)COC[C@](C)(O)C(=O)O 56e099b3f94d745c8b94a0dc181d68e7 [0,1,0,0,0,1|2,0,0]=4 653 B11R0.202 CC(=O)CCNC(C)(C)C(=O)O caca11c408396750c2265c696d99e3f0 [0,1,0,0,0,1|2,0,0]=4 654 B11R0.202 CC(=O)CNCC(C)(C)C(=O)O 23c3391d610b3a390e560699bec605dd [0,1,0,0,0,1|2,0,0]=4 655 B11R0.202 CC(=O)CNCC(C)(O)C(=O)O 5364afef857185485923026467bd50ef [0,1,0,0,0,1|2,0,0]=4 656 B11R0.202 CC(=O)CNC[C@@](C)(O)C(=O)O efe50134054133480627a28f93cf057d [0,1,0,0,0,1|2,0,0]=4 657 B11R0.202 CC(=O)CNC[C@](C)(O)C(=O)O 0074fa23fe3933b7ccffee7ad189960a [0,1,0,0,0,1|2,0,0]=4 658 B11R0.202 CC(=O)COCC(C)(C)C(=O)F 4d4e12df80d0e0654ab04a424ef7384d [0,1,0,0,0,1|2,0,0]=4 659 B11R0.202 CC(=O)COCC(C)(C)C(=O)N ecfbccac885a78e3ebe079497f52e68d [0,1,0,0,0,1|2,0,0]=4 660 B11R0.202 CC(=O)COCC(C)(C)C(=O)O 975c15ee0cd38e3f3b5b5d32c3ff661d [0,1,0,0,0,1|1,0,0]=3 661 B11R0.202 CC(=O)COCC(C)(O)C(=O)O 6af581cc9b4c6c7100e8f9a318217ada [0,1,0,0,0,1|1,0,0]=3 662 B11R0.202 CC(=O)COC[C@@](C)(O)C(=O)O 51f97c99affd97317b91bc9faee1272f [0,1,0,0,0,1|1,0,0]=3 663 B11R0.202 CC(=O)COC[C@](C)(O)C(=O)O 4d71f321cc4c1e9cdd4379ba15660e19 [0,1,0,0,0,1|1,0,0]=3 664 B11R0.202 CC(=O)OCNC(C)(C)C(=O)C 212a4651a71d3f6d9b844b474378c846 [0,1,0,0,0,1|2,0,0]=4 665 B11R0.202 CC(=O)OCNC(C)(C)C(=O)N ddaaa27851b7dc7f57881d9cbe439740 [0,1,0,0,0,1|2,0,0]=4 666 B11R0.202 CC(=O)OCNC(C)(C)C(=O)O d6e17ad10503c5f398b891d1ae12165b [0,1,0,0,0,1|1,0,0]=3 667 B11R0.202 CC(C)(COCC(=O)N)C(=O)O 3cf388a761cc268b2b1d7ccaa9e06af5 [0,1,0,0,0,1|2,0,0]=4 668 B11R0.202 CC(C)(COCC(=O)O)C(=O)O 3c43405de8ebb79f01031a9f413b4a5d [0,1,0,0,0,1|2,0,0]=4 669 B11R0.202 CC(O)(COCC(=O)N)C(=O)O 312c330d3b181b094f2f7f459a9ec32d [0,1,0,0,0,1|2,0,0]=4 670 B11R0.202 CC(O)(COCC(=O)O)C(=O)O 9f3ca9cbb2556a3013b29c9c083ac845 [0,1,0,0,0,1|2,0,0]=4 671 B11R0.202 C[C@@](O)(COCC(=O)N)C(=O)O 036e289bb1e8c20e812bcde7caf2d1de [0,1,0,0,0,1|2,0,0]=4 672 B11R0.202 C[C@@](O)(COCC(=O)O)C(=O)O 871125d6a3fd7a2209ba1211de191aa9 [0,1,0,0,0,1|2,0,0]=4 673 B11R0.202 C[C@](O)(COCC(=O)N)C(=O)O a59bbe636c8833fa29af6e5c2ab6c65c [0,1,0,0,0,1|2,0,0]=4 674 B11R0.202 C[C@](O)(COCC(=O)O)C(=O)O a99b9e48cc6e7979ff8c1be37744209e [0,1,0,0,0,1|2,0,0]=4 675 B11R0.273 C#CC(OCCC(=O)C)C(=O)O 3ef6c29dfed75badbc9ec6127da9172e [0,1,0,0,0,1|2,0,0]=4 676 B11R0.273 C#CC(OCOC(=O)C)C(=O)O d2c472749d719fa2e32c6ceabc7ca398 [0,1,0,0,0,1|1,0,0]=3 677 B11R0.273 C/C=C(\OCOC(=O)C)/C(=O)O 577f48a82317d0f855bfd518162aabab [0,1,0,0,0,1|1,0,1]=4 678 B11R0.273 C=CC(NCCC(=O)C)C(=O)O 3870cad3e9dd34058823c2b2b8467129 [0,1,0,0,0,1|2,0,0]=4 679 B11R0.273 C=CC(NCOC(=O)C)C(=O)O 554e089e325734aaf94e8e158881aea7 [0,1,0,0,0,1|1,0,0]=3 680 B11R0.273 C=C[C@H](NCCC(=O)C)C(=O)O 859979e86d07657dac5f9c9dcdd7c996 [0,1,0,0,0,1|2,0,0]=4 681 B11R0.273 C=C[C@H](NCOC(=O)C)C(=O)O 1daa77490654844b261ef99721d01550 [0,1,0,0,0,1|1,0,0]=3 682 B11R0.273 CC(=O)CCNC(CCl)C(=O)O fc712bdbfc944241ceeed39800808b85 [0,1,0,0,0,1|2,0,0]=4 683 B11R0.273 CC(=O)CCNC(CF)C(=O)O 96e028a0b841cf486215ad5fa5c3757b [0,1,0,0,0,1|2,0,0]=4 684 B11R0.273 CC(=O)CCNC(CO)C(=O)O 62c87833d9e38381e20390ad5dc00388 [0,1,0,0,0,1|2,0,0]=4 685 B11R0.273 CC(=O)CCNC(CS)C(=O)O 186b1ba8a583bd9ab010e812cad01851 [0,1,0,0,0,1|2,0,0]=4 686 B11R0.273 CC(=O)CCN[C@@H](CCl)C(=O)O 99df6edb619c2bac98d717bddb473e6b [0,1,0,0,0,1|2,0,0]=4 687 B11R0.273 CC(=O)CCN[C@@H](CO)C(=O)O 96b53de3ed1dad6a0e9602c852a6806e [0,1,0,0,0,1|2,0,0]=4 688 B11R0.273 CC(=O)CCN[C@@H](CS)C(=O)O 7faa6d809f3f0bc2919f246a58d0a7e2 [0,1,0,0,0,1|2,0,0]=4 689 B11R0.273 CC(=O)CCN[C@H](CCl)C(=O)O 6affa9242bc720dbcd29e6263704c7db [0,1,0,0,0,1|2,0,0]=4 690 B11R0.273 CC(=O)CCN[C@H](CO)C(=O)O 11f63e707281b732259177c1758e1862 [0,1,0,0,0,1|2,0,0]=4 691 B11R0.273 CC(=O)CCN[C@H](CS)C(=O)O 1da9bf90dc4149bdd65e59eb976a7b1a [0,1,0,0,0,1|2,0,0]=4 692 B11R0.273 CC(=O)OCNC(C#N)C(=O)N c1ffda87490c99a3c79a333c230001c7 [0,1,0,0,0,1|1,0,1]=4 693 B11R0.273 CC(=O)OCNC(CCl)C(=O)O 7ff8c0ef93c2071224fa3c4e6a31679d [0,1,0,0,0,1|1,0,0]=3 694 B11R0.273 CC(=O)OCNC(CF)C(=O)O f0bc1740336752f51c7e24281535dd60 [0,1,0,0,0,1|1,0,0]=3 695 B11R0.273 CC(=O)OCNC(CO)C(=O)N 71399a817e8bd919a13eb5989e212074 [0,1,0,0,0,1|2,0,0]=4 696 B11R0.273 CC(=O)OCNC(CO)C(=O)O 86aafb0710daa4b887f8245bc80a8fec [0,1,0,0,0,1|1,0,0]=3 697 B11R0.273 CC(=O)OCNC(CS)C(=O)O b976428f44b5162d477543fc34c11d5c [0,1,0,0,0,1|1,0,0]=3 698 B11R0.273 CC(=O)OCN[C@@H](CCl)C(=O)O f36c2dc8146053117c51517d50fbea6a [0,1,0,0,0,1|1,0,0]=3 699 B11R0.273 CC(=O)OCN[C@@H](CO)C(=O)N 446c4e3b9f2f1012f49a5ec0455d4720 [0,1,0,0,0,1|2,0,0]=4 700 B11R0.273 CC(=O)OCN[C@@H](CO)C(=O)O dba24bae63d0ab6b10ac79134bf28563 [0,1,0,0,0,1|1,0,0]=3 701 B11R0.273 CC(=O)OCN[C@@H](CS)C(=O)O 51a0a27219ca646373d710afa7f93f0a [0,1,0,0,0,1|1,0,0]=3 702 B11R0.273 CC(=O)OCN[C@H](CCl)C(=O)O 018f6d4def96baf4e218037f7fa1efea [0,1,0,0,0,1|1,0,0]=3 703 B11R0.273 CC(=O)OCN[C@H](CO)C(=O)O 32f73ed50ff6c603678815e1c6687488 [0,1,0,0,0,1|1,0,0]=3 704 B11R0.273 CC(=O)OCN[C@H](CS)C(=O)O 51280c46f7177e8e13c48754b4f7e331 [0,1,0,0,0,1|1,0,0]=3 705 B11R0.273 CC(=O)OCO[C@H](CF)C(=O)O 44660f53211918ccbb0138818d650a3c [0,1,0,0,0,1|1,0,0]=3 706 B11R0.273 CCC(NCCC(=O)C)C(=O)O 847f838e6e7a11a38e63f5b606a28d56 [0,1,0,0,0,1|2,0,0]=4 707 B11R0.273 CCC(NCOC(=O)C)C(=O)N cc729d018ddd494729af07f3f6e0472c [0,1,0,0,0,1|2,0,0]=4 708 B11R0.273 CCC(NCOC(=O)C)C(=O)O ded5b73f4e8925f6925b2acd0d4b2876 [0,1,0,0,0,1|1,0,0]=3 709 B11R0.273 CCC(OCCC(=O)C)C(=O)O e29b01c3f6535676921bdc3dff5fc567 [0,1,0,0,0,1|2,0,0]=4 710 B11R0.273 CCC(OCNC(=O)C)C(=O)O 11e1ea739063715b7ae41ae1fd5747a1 [0,1,0,0,0,1|2,0,0]=4 711 B11R0.273 CCC(OCOC(=O)C)C(=O)N 4ff8c93d454b441e6c948bc9ae0c5d6a [0,1,0,0,0,1|2,0,0]=4 712 B11R0.273 CCC(OCOC(=O)C)C(=O)O f1fb6a058ffd0d93c7fb8b0d1e6875c0 [0,1,0,0,0,1|1,0,0]=3 713 B11R0.273 CC[C@@H](NCCC(=O)C)C(=O)O 129ff35e701bfd15ca011af0dd36831c [0,1,0,0,0,1|2,0,0]=4 714 B11R0.273 CC[C@@H](NCOC(=O)C)C(=O)O 81520fab7fbdb07f2331b7772a45e698 [0,1,0,0,0,1|1,0,0]=3 715 B11R0.273 CC[C@@H](OCCC(=O)C)C(=O)O b4a3c4a36143a6318312fb9320362058 [0,1,0,0,0,1|2,0,0]=4 716 B11R0.273 CC[C@@H](OCNC(=O)C)C(=O)O fb5c0c67592f5d868b5fd9aea802ba9e [0,1,0,0,0,1|2,0,0]=4 717 B11R0.273 CC[C@@H](OCOC(=O)C)C(=O)O 33369ce9ee579dcd156792f003a4b87d [0,1,0,0,0,1|1,0,0]=3 718 B11R0.273 CC[C@H](NCCC(=O)C)C(=O)O 357f7afc3840093f2ba13e48ab652c2c [0,1,0,0,0,1|2,0,0]=4 719 B11R0.273 CC[C@H](NCOC(=O)C)C(=O)N dce24e54241d77afd65ca65ff7d1a56c [0,1,0,0,0,1|2,0,0]=4 720 B11R0.273 CC[C@H](NCOC(=O)C)C(=O)O 424b8f6bd9ba73e8bee2efcd776aad4f [0,1,0,0,0,1|1,0,0]=3 721 B11R0.273 CC[C@H](OCCC(=O)C)C(=O)O 59183c4e95a4d14f86fd08e9c2044ff6 [0,1,0,0,0,1|2,0,0]=4 722 B11R0.273 CC[C@H](OCNC(=O)C)C(=O)O 89ae9819d946915b706b6e0bf78bd5e7 [0,1,0,0,0,1|2,0,0]=4 723 B11R0.273 CC[C@H](OCOC(=O)C)C(=O)O 735645c64a2f791fdd66219afe2c425b [0,1,0,0,0,1|1,0,0]=3 724 B11R0.318 CC(COCS(=O)(=O)C)C(=O)O f281fe7d70ff7befaaebff3a10173084 [0,1,0,0,0,1|2,0,0]=4 725 B11R0.318 C[C@@H](COCS(=O)(=O)C)C(=O)O 7dea62e2b5925b3dfebc8b0576dd8ae1 [0,1,0,0,0,1|2,0,0]=4 726 B11R0.318 C[C@H](COCS(=O)(=O)C)C(=O)O 2d2580e612d5d8ddc6f272a54200610c [0,1,0,0,0,1|2,0,0]=4 727 B11R0.92 CC(C=O)OC(C)C(C)C(=O)O 0211038a82f8c97c08e6c7faf2b4085e [0,2,0,0,0,0|1,0,1]=4 728 B11R0.92 CC(O[C@H](C)C=O)C(C)C(=O)O b435ede9011a0e2bdead26686acec463 [0,2,0,0,0,0|1,0,1]=4 729 B11R0.201 C=C(C=O)OCC(C)(C)C(=O)O dca48916de8a0b1f33385632ce98a428 [0,2,0,0,0,0|1,0,1]=4 730 B11R0.201 C=C(C=O)OCC(C)(O)C(=O)O 968768a182d247bcf827004832cfc602 [0,2,0,0,0,0|1,0,1]=4 731 B11R0.201 C=C(C=O)OC[C@@](C)(O)C(=O)O f117e1f0d5e0152dd0c92460dd4e531c [0,2,0,0,0,0|1,0,1]=4 732 B11R0.201 C=C(C=O)OC[C@](C)(O)C(=O)O 0a019b4cb25fbfef3f6fe00453ef9005 [0,2,0,0,0,0|1,0,1]=4 733 B11R0.201 CC(C=O)OCC(C)(C)C(=O)O d2d30602d40931dc36f0aa69bf621644 [0,2,0,0,0,0|1,0,1]=4 734 B11R0.201 CC(C=O)OCC(C)(O)C(=O)O a89a2e6663c2e32686e5bb97e0ec45c3 [0,2,0,0,0,0|1,0,1]=4 735 B11R0.201 CC(C=O)OC[C@@](C)(O)C(=O)O d8cd6806ddff95bc270881e007a74ae4 [0,2,0,0,0,0|1,0,1]=4 736 B11R0.201 CC(C=O)OC[C@](C)(O)C(=O)O 378720b6e9655904af3ea4040ac67a29 [0,2,0,0,0,0|1,0,1]=4 737 B11R0.201 C[C@H](C=O)OCC(C)(C)C(=O)O 75bf514de35175023e03a59cbf02dc6c [0,2,0,0,0,0|1,0,1]=4 738 B11R0.59 CCOC(=O)C(C)CNC(=O)C e13e4e2ad2f8446742126ea7b770ed42 [0,2,0,0,0,0|2,0,0]=4 739 B11R0.117 COC(=O)C(C)CN(C)C(=O)C f6520f318e2de8e5489f275c4dba39c4 [0,2,0,0,0,0|2,0,0]=4 740 B11R0.120 C=C(C=O)OCC(C)C(=O)OC 2938e1a836a357091270930e46835bad [0,2,0,0,0,0|1,0,1]=4 741 B11R0.120 C=C(C=O)OC[C@@H](C)C(=O)OC 0ec5ccabd8ad15ccc228a5d4b5398d3b [0,2,0,0,0,0|1,0,1]=4 742 B11R0.120 C=C(C=O)OC[C@H](C)C(=O)OC 3d3272f7ecc05c5e8753cac1c9f5960a [0,2,0,0,0,0|1,0,1]=4 743 B11R0.120 CCC(=O)NCC(C)C(=O)OC 1766ba6bdaa118b8bc19e12f7e868979 [0,2,0,0,0,0|2,0,0]=4 744 B11R0.120 COC(=O)C(C)CNC(=O)CF 92b694e36eec55fe06c6af6fb2aaf168 [0,2,0,0,0,0|2,0,0]=4 745 B11R0.120 COC(=O)C(C)CNC(=O)CO 03ebb4d35645f42a7b67ff3cd5e56c39 [0,2,0,0,0,0|2,0,0]=4 746 B11R0.120 COC(=O)C(C)CNC(=O)CS f2063ba010cb8a90c2d972f02d6a4ae8 [0,2,0,0,0,0|2,0,0]=4 747 B11R0.120 COC(=O)C(C)COC(C)C=O 9e575df3f0d8ef96d3e45c5808c8b561 [0,2,0,0,0,0|1,0,1]=4 748 B11R0.120 COC(=O)C(C)CO[C@H](C)C=O 63d8851826b9ca9bd828366fb4eaa118 [0,2,0,0,0,0|1,0,1]=4 749 B11R0.120 COC(=O)C(F)COC(C)C=O c2077452331a97742ac920d7b863fd8e [0,2,0,0,0,0|1,0,1]=4 750 B11R0.120 COC(=O)C(F)CO[C@H](C)C=O 9366e194413f0f40971d0aaf302a4934 [0,2,0,0,0,0|1,0,1]=4 751 B11R0.120 COC(=O)[C@@H](C)COC(C)C=O 6f6ec598ba527d6fbb90806eae34597f [0,2,0,0,0,0|1,0,1]=4 752 B11R0.120 COC(=O)[C@@H](C)CO[C@H](C)C=O 69a7106d997774189fe512dd6d36b95e [0,2,0,0,0,0|1,0,1]=4 753 B11R0.120 COC(=O)[C@H](C)COC(C)C=O a9a3792e708eb96f6b17e9cd4cd92797 [0,2,0,0,0,0|1,0,1]=4 754 B11R0.120 COC(=O)[C@H](C)CO[C@H](C)C=O 03089e7b2ef41992478689a0bf801782 [0,2,0,0,0,0|1,0,1]=4 755 B11R0.21 CCC(C=O)OCC(C)C(=O)O 44493d58f12da09808bcd6cb5f632c5a [0,2,0,0,0,0|1,0,1]=4 756 B11R0.21 CCC(C=O)OC[C@@H](C)C(=O)O 63dbd4e16aabbb588eefd8c1761fef47 [0,2,0,0,0,0|1,0,1]=4 757 B11R0.21 CCC(C=O)OC[C@H](C)C(=O)O 4b859a2d5b05d798939f52f32b54d7f6 [0,2,0,0,0,0|1,0,1]=4 758 B11R0.141 CCCC(=S)OCC(C)C(=O)O 0f6fa7d9d9029fd5d2fe9ee28361d4da [0,2,0,0,0,0|1,1,0]=4 759 B11R0.28 CC(C)OCC(C(=O)O)N(C)C 8f96f656f315f31861deb67364ca4e7d [0,2,0,0,0,0|1,0,1]=4 760 B11R0.28 CC(C)OC[C@@H](C(=O)O)N(C)C 8eb36f812a49adffa9bf0191a431f73f [0,2,0,0,0,0|1,0,1]=4 761 B11R0.146 C=C(C)CC[C@@H](NCC)C(=O)O 7b79a49035d61afcb40af8c02e2bb5a2 [0,2,0,0,0,0|2,0,0]=4 762 B11R0.146 C=C(C)CC[C@@H](NCF)C(=O)O 51d36e3f88203e8401cf88e4db88f9e8 [0,2,0,0,0,0|2,0,0]=4 763 B11R0.146 C=C(C)CC[C@H](NCC)C(=O)O ae7619f15f3808255970a2eb070d8868 [0,2,0,0,0,0|2,0,0]=4 764 B11R0.146 C=C(C)CC[C@H](NCF)C(=O)O 2ac9469362f17029809240405c1f0cb8 [0,2,0,0,0,0|2,0,0]=4 765 B11R0.146 CC(=CCC(NCF)C(=O)O)C 354e2925106dbf114ffb4939aa74a1d9 [0,2,0,0,0,0|2,0,0]=4 766 B11R0.146 CC(=CCC(NCO)C(=O)O)C 3208305ecb87ede974c6527916d33fec [0,2,0,0,0,0|2,0,0]=4 767 B11R0.146 CC(=CC[C@@H](NCF)C(=O)O)C e5114bee51c7ae548da92d4775e3df97 [0,2,0,0,0,0|2,0,0]=4 768 B11R0.146 CC(=CC[C@@H](NCO)C(=O)O)C 5294b3fc1b6f4c7237b967c5bcc552da [0,2,0,0,0,0|2,0,0]=4 769 B11R0.146 CC(=CC[C@H](NCF)C(=O)O)C 07ffb4d8739f3e0752f7301bd78d3a6e [0,2,0,0,0,0|2,0,0]=4 770 B11R0.146 CC(=CC[C@H](NCO)C(=O)O)C 48022facf623b85a488c77a76a748d1f [0,2,0,0,0,0|2,0,0]=4 771 B11R0.146 CC(=O)OC[C@H](NCF)C(=O)O d27186d71a6d33fc2f9df55a95c16ab7 [0,2,0,0,0,0|0,0,0]=2 772 B11R0.146 CC(=O)OC[C@H](NCO)C(=O)O ed86144a5b7186a8c55691e4e254cfee [0,2,0,0,0,0|0,0,0]=2 773 B11R0.146 CCNC(CC=C(C)C)C(=O)O 772bdf9249d99fb4b3ebb48da79cb05d [0,2,0,0,0,0|2,0,0]=4 774 B11R0.146 CCNC(CCC(=O)N)C(=O)O 63c71c863e89c8d45c9c165ceb8632d1 [0,2,0,0,0,0|2,0,0]=4 775 B11R0.146 CCNC(CCC(=O)O)C(=O)O f97c69013f2817cc96c373801c427634 [0,2,0,0,0,0|2,0,0]=4 776 B11R0.146 CCNC(CCS(=O)C)C(=O)O 5424f0023dc2807b2f8051f0877f6164 [0,2,0,0,0,0|2,0,0]=4 777 B11R0.146 CCNC(CNC(=O)N)C(=O)O d2bb89b95e1c554b24f3eaae0f761fb1 [0,2,0,0,0,0|2,0,0]=4 778 B11R0.146 CCN[C@@H](CC=C(C)C)C(=O)O 302b13347be007825c3c90155b4f6331 [0,2,0,0,0,0|2,0,0]=4 779 B11R0.146 CCN[C@@H](CCC(=O)N)C(=O)O 0449550f87120e100cbcfe224104c50b [0,2,0,0,0,0|2,0,0]=4 780 B11R0.146 CCN[C@@H](CCC(=O)O)C(=O)O 15903fac4eeeb927b381314c133b8628 [0,2,0,0,0,0|2,0,0]=4 781 B11R0.146 CCN[C@@H](CCS(=O)C)C(=O)O 6a8fbc79ee0ce5bb7dab8afabc0ad04b [0,2,0,0,0,0|2,0,0]=4 782 B11R0.146 CCN[C@@H](CNC(=O)N)C(=O)O 86fb94cf16c0e4259ff669b3a0686590 [0,2,0,0,0,0|2,0,0]=4 783 B11R0.146 CCN[C@@H](COC(=O)C)C(=O)O ca2959019eea71d5e3dd113a67d7fcaa [0,2,0,0,0,0|0,0,0]=2 784 B11R0.146 CCN[C@@H](CSC(=O)N)C(=O)O fbceb98c26ac46082e18da1a3910a63f [0,2,0,0,0,0|1,1,0]=4 785 B11R0.146 CCN[C@H](CC=C(C)C)C(=O)O 9411668a84c4b72d86cf99fed80ee1a9 [0,2,0,0,0,0|2,0,0]=4 786 B11R0.146 CCN[C@H](CCC(=O)N)C(=O)O e38e13bfefd0f2752058aedf0b32552f [0,2,0,0,0,0|2,0,0]=4 787 B11R0.146 CCN[C@H](CCC(=O)O)C(=O)O 24b1acd4016d923337b234b091df4ed9 [0,2,0,0,0,0|2,0,0]=4 788 B11R0.146 CCN[C@H](CCS(=O)C)C(=O)O 713ea48f344b808999ea5c350cfd9eea [0,2,0,0,0,0|2,0,0]=4 789 B11R0.146 CCN[C@H](CNC(=O)N)C(=O)O 3b4074819f68889fb5a76936681017a1 [0,2,0,0,0,0|2,0,0]=4 790 B11R0.146 CS(=O)CCC(NCF)C(=O)O 67b01ab704f8b9c388f3135822272524 [0,2,0,0,0,0|2,0,0]=4 791 B11R0.146 CS(=O)CCC(NCO)C(=O)O 7884299233866ba5d714c9e786ffbf81 [0,2,0,0,0,0|2,0,0]=4 792 B11R0.146 CS(=O)CC[C@@H](NCF)C(=O)O 1124920fb60e837c4130bad429b6d0eb [0,2,0,0,0,0|2,0,0]=4 793 B11R0.146 CS(=O)CC[C@@H](NCO)C(=O)O d016cfca7dedc5eee7bf2d4166ecdb40 [0,2,0,0,0,0|2,0,0]=4 794 B11R0.146 CS(=O)CC[C@H](NCF)C(=O)O 21fa126cf9088b50cc5a7e8e3ae9c15d [0,2,0,0,0,0|2,0,0]=4 795 B11R0.146 CS(=O)CC[C@H](NCO)C(=O)O d5d70168a381f2391c47243fb8fd96ca [0,2,0,0,0,0|2,0,0]=4 796 B11R0.146 N#CN[C@@H](CCC(=O)O)C(=O)O 11b37a34ff57cbe35579025b72d5e4d6 [0,2,0,0,0,0|2,0,0]=4 797 B11R0.146 NC(=O)CCC(NCF)C(=O)O 8078cc8dc5c2cc205e823d2f79481c8c [0,2,0,0,0,0|2,0,0]=4 798 B11R0.146 NC(=O)CCC(NCO)C(=O)O a24a6ff43c63c360016c85109fe33a80 [0,2,0,0,0,0|2,0,0]=4 799 B11R0.146 NC(=O)CC[C@@H](NCF)C(=O)O 4979cd518b3c99543b980d74a92ee8e6 [0,2,0,0,0,0|2,0,0]=4 800 B11R0.146 NC(=O)CC[C@@H](NCO)C(=O)O 955913150559801024d701ee3c4ea1c3 [0,2,0,0,0,0|2,0,0]=4 801 B11R0.146 NC(=O)CC[C@H](NCF)C(=O)O 9498cf7bf6278f1b0b82fd41c54c6106 [0,2,0,0,0,0|2,0,0]=4 802 B11R0.146 NC(=O)CC[C@H](NCO)C(=O)O 7983227b4026be42323affe6fb8c82f2 [0,2,0,0,0,0|2,0,0]=4 803 B11R0.146 NC(=O)NCC(NCF)C(=O)O 74a1a26f4284c398f9c193674e65047e [0,2,0,0,0,0|2,0,0]=4 804 B11R0.146 NC(=O)NCC(NCO)C(=O)O 2150a83c7e045363cd1c59b176aa5b97 [0,2,0,0,0,0|2,0,0]=4 805 B11R0.146 NC(=O)NC[C@@H](NCF)C(=O)O a7c2bf36095f77d4e697d8b8035fcf81 [0,2,0,0,0,0|2,0,0]=4 806 B11R0.146 NC(=O)NC[C@@H](NCO)C(=O)O 80d32d4ae67bd63820ab56295b77ec28 [0,2,0,0,0,0|2,0,0]=4 807 B11R0.146 NC(=O)NC[C@H](NCF)C(=O)O 784cf8684e7b433a1754350a2e343861 [0,2,0,0,0,0|2,0,0]=4 808 B11R0.146 NC(=O)NC[C@H](NCO)C(=O)O fd0ab299d8ea0a9283f159e5a668e69b [0,2,0,0,0,0|2,0,0]=4 809 B11R0.146 NC(=O)SC[C@H](NCF)C(=O)O 0a6a031582ef080014af6ab29f3e4e6d [0,2,0,0,0,0|1,1,0]=4 810 B11R0.146 NC(=O)SC[C@H](NCO)C(=O)O 9558796b4231d26044cb3e07d9bc7ef1 [0,2,0,0,0,0|1,1,0]=4 811 B11R0.146 O=C(O)CCC(NCF)C(=O)O 5587f5fdac1c9ebe5a5ac648e210342d [0,2,0,0,0,0|2,0,0]=4 812 B11R0.146 O=C(O)CCC(NCO)C(=O)O ef09a56666af50ce580f36079a624301 [0,2,0,0,0,0|2,0,0]=4 813 B11R0.146 O=C(O)CC[C@@H](NCF)C(=O)O 13f5cb2fef08c4b57491f1120478c8eb [0,2,0,0,0,0|2,0,0]=4 814 B11R0.146 O=C(O)CC[C@@H](NCO)C(=O)O de19500b52ac4453657ff234058bce2e [0,2,0,0,0,0|2,0,0]=4 815 B11R0.146 O=C(O)CC[C@H](NCF)C(=O)O ea22631f6fbe9ed179745c33cb7d21c2 [0,2,0,0,0,0|2,0,0]=4 816 B11R0.146 O=C(O)CC[C@H](NCO)C(=O)O 41e0a01a5e97d15ee2ed9e9d97ea89f8 [0,2,0,0,0,0|2,0,0]=4 817 B9R1.85 O=C(O)CCOC1CC1 920ebb5ee7c45a619a1db975c9276d90 [1,0,0,1,0,0|1,0,1]=4 818 B11R1.161 C=C(C)COCC1COC1=O 0f9242f309fbf823e709ee90b28f30bb [0,0,0,1,0,1|2,0,0]=4 819 B11R1.161 CC(=O)CNCC1COC1=O d8ba639a294c99c3eac9a2526c419233 [0,0,0,1,0,1|2,0,0]=4 820 B11R1.161 CC(=O)COCC1COC1=O f9c1d2f66df00e244a6578aab95c7f12 [0,0,0,1,0,1|1,0,0]=3 821 B11R1.161 CC(=O)OCN[C@H]1CNC1=O ebe5df3ebff17aa203797766d3905198 [0,0,0,1,0,1|2,0,0]=4 822 B11R1.161 CC(=O)OCOC1CCC1=O 68d435a764c7484c289b9462b2f131b4 [0,0,0,1,0,1|2,0,0]=4 823 B11R1.161 NC(=O)COCC1COC1=O 526b38b81f0f53c562e0e3201e8e1ccb [0,0,0,1,0,1|2,0,0]=4 824 B11R1.161 O=C(O)COCC1COC1=O fdc0cda5b08302bbc1d4f5f375944e71 [0,0,0,1,0,1|2,0,0]=4 825 B11R1.314 CC(C(=O)O)N1CNC(=O)C1 88754a38f053684f981fe8ff2a29085a [0,0,0,1,0,1|2,0,0]=4 826 B11R1.314 C[C@@H](C(=O)O)N1CNC(=O)C1 91b2ec4282544fb8b02b90a035fd3abe [0,0,0,1,0,1|2,0,0]=4 827 B11R1.314 C[C@H](C(=O)O)N1CNC(=O)C1 67b6dbcec554c52b27a4d18b13449532 [0,0,0,1,0,1|2,0,0]=4 828 B11R1.853 COC(=O)C1CN(C1)C(=O)C 3a81c671a57fed99834466833bf320a4 [0,1,0,1,0,0|2,0,0]=4 829 B11R1.223 C=C(C=O)OCC1COC1=O afacf8a91bd4915c311d56b02f5424d6 [0,1,0,1,0,0|1,0,1]=4 830 B11R1.223 CC(C=O)OCC1COC1=O 6fa58b29ed5c95199d233318bd0c4ea9 [0,1,0,1,0,0|1,0,1]=4 831 B11R1.892 C=C(C=O)O[C@@H]1C[C@@H]1C(=O)O 68848b17dfac5e2ede6ea65b57b3867a [0,1,0,1,0,0|1,0,1]=4 832 B11R1.892 C=C(C=O)O[C@H]1C[C@@H]1C(=O)O 7ad0a9cf042d093e76b873d5ef8b1c4f [0,1,0,1,0,0|1,0,1]=4 833 B11R1.892 C=C(C=O)O[C@H]1C[C@H]1C(=O)O 2198837aeab9e36f2b402e0710f4b0df [0,1,0,1,0,0|1,0,1]=4 834 B11R1.892 CC(C=O)O[C@@H]1C[C@@H]1C(=O)O d72ed37ec51764772645e8e38c5589e2 [0,1,0,1,0,0|1,0,1]=4 835 B11R1.892 CC(C=O)O[C@H]1C[C@@H]1C(=O)O e69e6bff817bd33454836365e24f803c [0,1,0,1,0,0|1,0,1]=4 836 B11R1.892 CC(C=O)O[C@H]1C[C@H]1C(=O)O fddab9d97f5eb684a8d2818dd0def3dc [0,1,0,1,0,0|1,0,1]=4 837 B9R0.55 C/C(=C/CNCC(=O)O)/I a76d6dbc0e5328a9b8aa64ebd1b6c194 [1,0,0,0,0,1|2,0,0]=4 838 B9R0.55 C/C(=C/COCC(=O)O)/Cl bdea4f5aeb03cc258b24f376652d8a21 [1,0,0,0,0,1|2,0,0]=4 839 B9R0.55 C/C(=C/COCC(=O)O)/I 6bfad94351ed127d47214e042271c08e [1,0,0,0,0,1|2,0,0]=4 840 B9R0.55 C/C(=C\CNCC(=O)O)/Cl 33489f0d342c5536f81ea090a2f820e8 [1,0,0,0,0,1|2,0,0]=4 841 B9R0.55 C/C(=C\COCC(=O)O)/Cl 4fa34096288c6e1175d96996004a7d69 [1,0,0,0,0,1|2,0,0]=4 842 B9R0.55 C=C(Br)CNCOC(=O)C 66a04648ef1309d96651038dcafd8006 [1,0,0,0,0,1|2,0,0]=4 843 B9R0.55 C=C(Br)COCCC(=O)O fa101352e435d76fadec151481d8b4d9 [1,0,0,0,0,1|1,0,1]=4 844 B9R0.55 C=C(Br)COCOC(=O)C b6bf8ac7ea0c8916795c157000792e44 [1,0,0,0,0,1|2,0,0]=4 845 B9R0.55 C=C(C)CCNCC(=O)O 14f79230f366d4f53483d592ca1209f4 [1,0,0,0,0,1|2,0,0]=4 846 B9R0.55 C=C(C)CCOCC(=O)C 674e4ae6886ff1d2fa28b38381f83ac0 [1,0,0,0,0,1|2,0,0]=4 847 B9R0.55 C=C(C)CCOCC(=O)O d511df34cdc214eb72cb2dd39c037f73 [1,0,0,0,0,1|2,0,0]=4 848 B9R0.55 C=C(C)CNCCC(=O)O c94702ac8441eb8e035c8c88a218653b [1,0,0,0,0,1|2,0,0]=4 849 B9R0.55 C=C(C)CNCOC(=O)C 99ad069ec9b09d4e775e7a2a21599591 [1,0,0,0,0,1|2,0,0]=4 850 B9R0.55 C=C(C)COCCC(=O)C 70cdb13dc4d6f031583b0aab7b94bdad [1,0,0,0,0,1|2,0,0]=4 851 B9R0.55 C=C(C)COCCC(=O)N 2711f42315610cfc7376cfa714d91ab6 [1,0,0,0,0,1|2,0,0]=4 852 B9R0.55 C=C(C)COCCC(=O)O e23f99666316477d86f1528d4f6e582f [1,0,0,0,0,1|1,0,0]=3 853 B9R0.55 C=C(C)COCOC(=O)C 76de808df68251924681929e50fc5329 [1,0,0,0,0,1|2,0,0]=4 854 B9R0.55 C=C(Cl)COCCC(=O)O 7e4609936e0015efd3cbad5e831ce239 [1,0,0,0,0,1|1,0,1]=4 855 B9R0.55 C=C(Cl)COCOC(=O)C b3816b0262e0e33a362e3ff7ac9c5bab [1,0,0,0,0,1|2,0,0]=4 856 B9R0.55 C=C(F)COCCC(=O)O e2dfc5b0ed80dc98b9e248c432aacba3 [1,0,0,0,0,1|1,0,1]=4 857 B9R0.55 C=C(F)COCOC(=O)C 3d70d2bd13616e6491914214a82081ae [1,0,0,0,0,1|2,0,0]=4 858 B9R0.55 C=C(I)COCCC(=O)O 3a5c69e24d6ce770f5447a1d28609b12 [1,0,0,0,0,1|1,0,1]=4 859 B9R0.55 C=C(I)COCOC(=O)C 37725bb7d2500cee88b17e2b45865d50 [1,0,0,0,0,1|2,0,0]=4 860 B9R0.55 CC(=CCNCC(=O)O)C eb2d4cd02024c6dd2f4bde47f5d99d0f [1,0,0,0,0,1|2,0,0]=4 861 B9R0.55 CC(=CCNCC(=O)O)Cl 6d8afa17fed8b33a695b60b47587d586 [1,0,0,0,0,1|2,0,0]=4 862 B9R0.55 CC(=CCNCC(=O)O)I e657b86155224eb6f1335bfe7dfa415c [1,0,0,0,0,1|2,0,0]=4 863 B9R0.55 CC(=CCOCC(=O)O)C dd5792ad54701fa0e3373ee19c312e10 [1,0,0,0,0,1|2,0,0]=4 864 B9R0.55 CC(=CCOCC(=O)O)Cl 694c1884a37ad5555ea5d980bc801c56 [1,0,0,0,0,1|2,0,0]=4 865 B9R0.55 CC(=CCOCC(=O)O)I be3e61200a84664bfac9ff931641085e [1,0,0,0,0,1|2,0,0]=4 866 B9R0.55 CC(=O)CCNCC(=O)C a214a75957335c42a991001b0d025dcf [1,0,0,0,0,1|2,0,0]=4 867 B9R0.55 CC(=O)CCNCC(=O)N 883ed360f69e34416c89d3b52cc5ee69 [1,0,0,0,0,1|2,0,0]=4 868 B9R0.55 CC(=O)CCNCC(=O)O 40694212f6627e29d6641d6f27eb6cbd [1,0,0,0,0,1|1,0,0]=3 869 B9R0.55 CC(=O)CCOCC(=O)C 974441e375e1fad064766c61157f7015 [1,0,0,0,0,1|1,0,0]=3 870 B9R0.55 CC(=O)CCOCC(=O)N 282ca2239418fd9eb0b111d82a9b4972 [1,0,0,0,0,1|2,0,0]=4 871 B9R0.55 CC(=O)CCOCC(=O)O 9074473ccbed0d52dad15c2ee2e3d18e [1,0,0,0,0,1|1,0,0]=3 872 B9R0.55 CC(=O)CCOCS(=O)O f6e9010978f00c1cf77b9647abda7b06 [1,0,0,0,0,1|2,0,0]=4 873 B9R0.55 CC(=O)CNCCC(=O)N 131a7e451436a40baf4f4512e78ed898 [1,0,0,0,0,1|2,0,0]=4 874 B9R0.55 CC(=O)CNCCC(=O)O f7e1177d8b3728ece360d0f60d2f3d30 [1,0,0,0,0,1|1,0,0]=3 875 B9R0.55 CC(=O)CNCOC(=O)C a9161550bc0d229e260db58308a89ece [1,0,0,0,0,1|1,0,0]=3 876 B9R0.55 CC(=O)COCCC(=O)N 1bca4404f8e823f3667de3d7a32641f4 [1,0,0,0,0,1|1,0,0]=3 877 B9R0.55 CC(=O)COCCC(=O)O 9181529c791e851b859a70ea035f0690 [1,0,0,0,0,1|0,0,0]=2 878 B9R0.55 CC(=O)COCCS(=O)C 43a8112de84e67bb0c3dafc01ea48cca [1,0,0,0,0,1|2,0,0]=4 879 B9R0.55 CC(=O)COCOC(=O)C 0a6d1225fe7bef34fcb9b1c236dba034 [1,0,0,0,0,1|1,0,0]=3 880 B9R0.55 CC(=O)COCSC(=O)N ed4c37baa9cf7498fea80d0f4092b67c [1,0,0,0,0,1|2,0,0]=4 881 B9R0.55 CC(=O)NCCCC(=O)N b2e1a0ba0837c4a3760cbdc18a234480 [1,0,0,0,0,1|2,0,0]=4 882 B9R0.55 CC(=O)NCCNC(=O)C 0321bfa08951e7410e51e8bd5f19cab9 [1,0,0,0,0,1|2,0,0]=4 883 B9R0.55 CC(=O)NCOCC(=O)N 77b1de6b1dd1d9e88406c226df9bf41b [1,0,0,0,0,1|2,0,0]=4 884 B9R0.55 CC(=O)NCOCC(=O)O 199bc2e8e5e1191f0ae1489131d4aa2e [1,0,0,0,0,1|1,0,0]=3 885 B9R0.55 CC(=O)OCNCC(=O)N 232e9a2ddb08b4da6f7ca4e446499235 [1,0,0,0,0,1|1,0,0]=3 886 B9R0.55 CC(=O)OCNCC(=O)O 931361d70c9f9259da3c0cb1999fabc7 [1,0,0,0,0,1|0,0,0]=2 887 B9R0.55 CC(=O)OCNCC(C)O 9db9e7d06b2a8cad87a499ac08f0e412 [1,0,0,0,0,1|1,0,1]=4 888 B9R0.55 CC(=O)OCNC[C@@H](C)O cf466a4403498827be8d51621b10fac5 [1,0,0,0,0,1|1,0,1]=4 889 B9R0.55 CC(=O)OCNC[C@H](C)O 8d21f065d54dba23af256e127e2724b7 [1,0,0,0,0,1|1,0,1]=4 890 B9R0.55 CC(=O)OCOCC(=O)N d52007acb020881c7af3682f9e955c44 [1,0,0,0,0,1|1,0,0]=3 891 B9R0.55 CC(=O)OCOCC(=O)O 420aa58c3d791b706016f7c13dd202fe [1,0,0,0,0,1|0,0,0]=2 892 B9R0.55 CC(=O)OCOCC(=S)N 5e1e980c0433942b9e60ac10350205e3 [1,0,0,0,0,1|1,1,0]=4 893 B9R0.55 CC(=O)OCOCS(=O)O aac12a3c6a270dbc4a58bd80d063c80d [1,0,0,0,0,1|1,0,0]=3 894 B9R0.55 CC(C)COCCC(=O)O 1a7492ddc84059d0e80957dca0a4ad8a [1,0,0,0,0,1|1,0,1]=4 895 B9R0.55 CC(C)OCNCC(=O)O 116e31958898eaa4d243bb8a4f561aab [1,0,0,0,0,1|1,0,1]=4 896 B9R0.55 CC(C)OCOCC(=O)O 185be0dff94a3b667aca878d046b91c5 [1,0,0,0,0,1|1,0,1]=4 897 B9R0.55 CC(F)COCCC(=O)O 576299124ecf48074968b3f5485a6420 [1,0,0,0,0,1|1,0,1]=4 898 B9R0.55 CC(S)COCCC(=O)O b635c1384c7caeef54ad902ade79227f [1,0,0,0,0,1|0,1,1]=4 899 B9R0.55 CN(C)COCCC(=O)O 2dce7716534601e6d7ec7d3859ddf712 [1,0,0,0,0,1|2,0,0]=4 900 B9R0.55 CS(=O)CCNCC(=O)O d14fa2db8bf0bb5b19c1028796e497cd [1,0,0,0,0,1|2,0,0]=4 901 B9R0.55 CS(=O)CCOCC(=O)O 52722d02a38e3b2fdc3782816d19eb63 [1,0,0,0,0,1|2,0,0]=4 902 B9R0.55 C[C@@H](F)COCCC(=O)O 34c340ab2328f74479e9fcc514019d74 [1,0,0,0,0,1|1,0,1]=4 903 B9R0.55 C[C@H](F)COCCC(=O)O c8248d4a649741bb9f67d6321d2c0f56 [1,0,0,0,0,1|1,0,1]=4 904 B9R0.55 NC(=O)CCNCC(=O)O 0548630220f8ca730429d726b818a8af [1,0,0,0,0,1|2,0,0]=4 905 B9R0.55 NC(=O)CCOCC(=O)N 36c84468c7e688748ada21c4e36d80fc [1,0,0,0,0,1|2,0,0]=4 906 B9R0.55 NC(=O)CCOCC(=O)O e1e06485f8b6feaac7b45933a9f0ab14 [1,0,0,0,0,1|2,0,0]=4 907 B9R0.55 NC(=O)CNCCC(=O)O 2ba606c8f6665fb6dce79962b1dc62fe [1,0,0,0,0,1|2,0,0]=4 908 B9R0.55 NC(=O)COCCC(=O)O 5888c606ee8d1d7646cca4bfa757c6be [1,0,0,0,0,1|1,0,0]=3 909 B9R0.55 NC(=O)NCOCC(=O)O aa1d067641223fda4e4dc0e730e5d693 [1,0,0,0,0,1|2,0,0]=4 910 B9R0.55 NC(=O)SCNCC(=O)O 762bc44e3fef9e4ec20bdcff92d70b03 [1,0,0,0,0,1|1,1,0]=4 911 B9R0.55 NC(=S)COCCC(=O)O ebe51905059637175c84868e10b683b2 [1,0,0,0,0,1|1,1,0]=4 912 B9R0.55 O=C(O)CCNCC(=O)O 43f65cc1fd2997c2e3d09ce76b5140c2 [1,0,0,0,0,1|2,0,0]=4 913 B9R0.55 O=C(O)CCOCC(=O)O 4d49b71bab3c022809a84bb2137ebcf3 [1,0,0,0,0,1|1,0,0]=3 914 B9R0.55 O=C(O)CCOCS(=O)O a5aed27d8af157fdb76b17dd1d22fed6 [1,0,0,0,0,1|2,0,0]=4 915 B9R0.55 O=C(O)CCOC[N+](=O)[O-] d9ebdfb16718f1d60c6cc919323abb2e [1,0,0,0,0,1|2,0,0]=4 916 B11R0.6 CC(=O)CCNC(C)CC(=O)O 45ea83d36268d8400c290305ed88e24d [0,0,0,0,0,2|2,0,0]=4 917 B11R0.6 CC(=O)CCN[C@@H](C)CC(=O)O 1e813a037ae1354ad5ba36fbf2d49e1d [0,0,0,0,0,2|2,0,0]=4 918 B11R0.6 CC(=O)CCN[C@H](C)CC(=O)O 5931748e401b0b5cb89c015949c334cd [0,0,0,0,0,2|2,0,0]=4 919 B11R0.6 CC(=O)CCOC(C)CC(=O)O 37e716d83b4c62ed4d4a23cb9bd07fa0 [0,0,0,0,0,2|2,0,0]=4 920 B11R0.6 CC(=O)CCO[C@@H](C)CC(=O)O 6e6de87ee3a171cc35cde5143e19befe [0,0,0,0,0,2|2,0,0]=4 921 B11R0.6 CC(=O)CCO[C@H](C)CC(=O)O 67249366fa8376327841756cc0566f40 [0,0,0,0,0,2|2,0,0]=4 922 B11R0.6 CC(=O)COCC(=O)CC(=O)O fb731d43442a7ed0e680ad3b47d1696a [0,0,0,0,0,2|1,0,1]=4 923 B11R0.6 CC(=O)OCCN(C)CC(=O)O 7f7a4023451e4813ea1f6066268db26e [0,0,0,0,0,2|2,0,0]=4 924 B11R0.6 CC(=O)OCNC(C)CC(=O)O bfe532074515a315d52b7bfdd90ea512 [0,0,0,0,0,2|1,0,0]=3 925 B11R0.6 CC(=O)OCN[C@@H](C)CC(=O)O 26f1ef3c2ca05dbbb6336d5efb296107 [0,0,0,0,0,2|1,0,0]=3 926 B11R0.6 CC(=O)OCN[C@H](C)CC(=O)O 868f5f1cd5241900fff3b22f8fee7b77 [0,0,0,0,0,2|1,0,0]=3 927 B11R0.6 CC(=O)OCOC(C)CC(=O)N 5b43756858c97a6ed8b3f67b6aeb2645 [0,0,0,0,0,2|2,0,0]=4 928 B11R0.6 CC(=O)OCOC(C)CC(=O)O 1a85c9b341bd28dacdd0ffa4e3821d59 [0,0,0,0,0,2|1,0,0]=3 929 B11R0.6 CC(=O)OCO[C@@H](C)CC(=O)O 4b44aa68e3aa6e031919f803534d6ecf [0,0,0,0,0,2|1,0,0]=3 930 B11R0.6 CC(=O)OCO[C@H](C)CC(=O)O ebde4e9477471fd0d7bd63fe8c329802 [0,0,0,0,0,2|1,0,0]=3 931 B11R0.85 CC(=O)NCC(C)OCC(=O)O 0d808c8bff1f434e9601a4104a549062 [0,0,0,0,0,2|2,0,0]=4 932 B11R0.85 CC(=O)OCC(C)OCC(=O)N fc2477c6b55c08ab72686f192ef68657 [0,0,0,0,0,2|2,0,0]=4 933 B11R0.85 CC(=O)OCC(C)OCC(=O)O 15aaab0cf490b9d8eff257796f1f8aa9 [0,0,0,0,0,2|1,0,0]=3 934 B11R0.85 CC(=O)OCN(C)CCC(=O)O 403c67a75911dc4b8f9342de852024a5 [0,0,0,0,0,2|2,0,0]=4 935 B11R0.29 C/C(=C/COCC(C)C(=O)O)/Cl 391c41c25c1cf0d3a79d451f22081f5a [0,0,0,0,0,2|2,0,0]=4 936 B11R0.29 C/C(=C/COCC(C)C(=O)O)/I 8e9f4331192ddfc58342329fe38fec63 [0,0,0,0,0,2|2,0,0]=4 937 B11R0.29 C/C(=C/COC[C@@H](C)C(=O)O)/I 5d0c32b534edb6cc027d2a7a5afdf00a [0,0,0,0,0,2|2,0,0]=4 938 B11R0.29 C/C(=C/COC[C@H](C)C(=O)O)/I e5620ac8f5e24196f615cad5673bcd51 [0,0,0,0,0,2|2,0,0]=4 939 B11R0.29 C/C(=C\COCC(C)C(=O)O)/Cl b40ef4f4f4eb91037bfdaa3b4d8ec332 [0,0,0,0,0,2|2,0,0]=4 940 B11R0.29 C/C(=C\COC[C@@H](C)C(=O)O)/Cl a31729fbe1295d6b3ef828b4531a089b [0,0,0,0,0,2|2,0,0]=4 941 B11R0.29 C/C(=C\COC[C@H](C)C(=O)O)/Cl abdfe45575cfe544df76545745295908 [0,0,0,0,0,2|2,0,0]=4 942 B11R0.29 C=C(C)CCOCC(C)C(=O)O 800cbd8832e677f796eed2b0a867cc5d [0,0,0,0,0,2|2,0,0]=4 943 B11R0.29 C=C(C)CCOC[C@@H](C)C(=O)O 27bcc99710bc3999b6262ccd9d780f8d [0,0,0,0,0,2|2,0,0]=4 944 B11R0.29 C=C(C)CCOC[C@H](C)C(=O)O 0b42352ed42b149a6e08c73643a3a314 [0,0,0,0,0,2|2,0,0]=4 945 B11R0.29 C=C(COCCC(=O)C)C(=O)O 736d235330f74a6fe0855a266e3541ad [0,0,0,0,0,2|1,0,1]=4 946 B11R0.29 C=C(COCNC(=O)C)C(=O)O 2a8e6f7fe4a6978019362d5de8a558a5 [0,0,0,0,0,2|1,0,1]=4 947 B11R0.29 C=C(COCOC(=O)C)C(=O)O dc84f7eee9f2a29845c50e09b08c4aa2 [0,0,0,0,0,2|1,0,1]=4 948 B11R0.29 CC(=CCOCC(C)C(=O)O)C 2e27c8f50d502a40ba83c97d1d2649fe [0,0,0,0,0,2|2,0,0]=4 949 B11R0.29 CC(=CCOCC(C)C(=O)O)Cl 906559c11d138b330dc77cbf41f56430 [0,0,0,0,0,2|2,0,0]=4 950 B11R0.29 CC(=CCOCC(C)C(=O)O)I 5463920f01781eb29c4e66336eb9049e [0,0,0,0,0,2|2,0,0]=4 951 B11R0.29 CC(=CCOC[C@@H](C)C(=O)O)C bdf80a758ec9f41c035bb01c04b50f75 [0,0,0,0,0,2|2,0,0]=4 952 B11R0.29 CC(=CCOC[C@@H](C)C(=O)O)Cl 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CC(=O)CCCO[C@H](C)C(=O)O 3efb5a5272e647f4507177000ac7cc3f [0,0,0,0,0,2|2,0,0]=4 964 B11R0.29 CC(=O)CCNCC(C)C(=O)O 438831ba43cb3feb9a6877365b6290ad [0,0,0,0,0,2|2,0,0]=4 965 B11R0.29 CC(=O)CCNCC(F)C(=O)O 43236598ca66f7431e306b08d42ed061 [0,0,0,0,0,2|2,0,0]=4 966 B11R0.29 CC(=O)CCNCC(O)C(=O)O 004f7700bd38abc6c7d18240fe784415 [0,0,0,0,0,2|2,0,0]=4 967 B11R0.29 CC(=O)CCNC[C@@H](C)C(=O)O 4ce15038546f5d5f35b2d42a7e3c45cf [0,0,0,0,0,2|2,0,0]=4 968 B11R0.29 CC(=O)CCNC[C@@H](O)C(=O)O b11e288d618db92a75d0cbf6e9edc072 [0,0,0,0,0,2|2,0,0]=4 969 B11R0.29 CC(=O)CCNC[C@H](C)C(=O)O aaf3b0fd9dbc4e5668bddd52941e3819 [0,0,0,0,0,2|2,0,0]=4 970 B11R0.29 CC(=O)CCNC[C@H](O)C(=O)O 0c7e5d2b0f2c56be73f69c8e1807a222 [0,0,0,0,0,2|2,0,0]=4 971 B11R0.29 CC(=O)CCOCC(C)C(=O)C 959ee872d94abd5b1bada9e0c5c126b6 [0,0,0,0,0,2|2,0,0]=4 972 B11R0.29 CC(=O)CCOCC(C)C(=O)O 705de9dc8a01e9df202cc66942041dd3 [0,0,0,0,0,2|1,0,0]=3 973 B11R0.29 CC(=O)CCOC[C@@H](C)C(=O)O 0e1187eb9f1b9a094ad641932e5a01ab [0,0,0,0,0,2|1,0,0]=3 974 B11R0.29 CC(=O)CCOC[C@H](C)C(=O)O 5ad032f851260124d875c73fc1ca3e01 [0,0,0,0,0,2|1,0,0]=3 975 B11R0.29 CC(=O)NCCNC(C)C(=O)O a5909bdb62f58456a77cc99b63cc2d98 [0,0,0,0,0,2|2,0,0]=4 976 B11R0.29 CC(=O)NCCNC(O)C(=O)O 52c98c476b371a9357195999ca2f63a9 [0,0,0,0,0,2|2,0,0]=4 977 B11R0.29 CC(=O)NCCN[C@@H](C)C(=O)O 1552d393177cd3057dca4a1fd87baec2 [0,0,0,0,0,2|2,0,0]=4 978 B11R0.29 CC(=O)NCCN[C@H](C)C(=O)O 8eae3bedebe9ca914af5a72f36ada697 [0,0,0,0,0,2|2,0,0]=4 979 B11R0.29 CC(=O)NCCOC(C)C(=O)O 28ca5a17b145ede79e5253c7d53d0271 [0,0,0,0,0,2|2,0,0]=4 980 B11R0.29 CC(=O)NCCO[C@@H](C)C(=O)O ee67e9ca740bd5c2efc8dc25ca3f5c65 [0,0,0,0,0,2|2,0,0]=4 981 B11R0.29 CC(=O)NCCO[C@H](C)C(=O)O 527d86990b231637508ad3e0a2f3d778 [0,0,0,0,0,2|2,0,0]=4 982 B11R0.29 CC(=O)NCOCC(=O)C(=O)O a92d07d243b27e5bb94a13934a02e4a9 [0,0,0,0,0,2|1,0,1]=4 983 B11R0.29 CC(=O)NCOCC(C)C(=O)O e272ee649b37aa2e12ee6ee4044d425b [0,0,0,0,0,2|1,0,0]=3 984 B11R0.29 CC(=O)OCCNC(C)C(=O)N 0e2c2236d54b262e86fb0be66a81bccb [0,0,0,0,0,2|2,0,0]=4 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[0,0,0,0,0,2|2,0,0]=4 996 B11R0.29 CC(=O)OCCO[C@@H](C)C(=O)O a8d308959edfac2c711bb30be70f30b1 [0,0,0,0,0,2|1,0,0]=3 997 B11R0.29 CC(=O)OCCO[C@H](C)C(=O)N 76e084f8eb37f5e94efc617111993393 [0,0,0,0,0,2|2,0,0]=4 998 B11R0.29 CC(=O)OCCO[C@H](C)C(=O)O 22d1507080864d6e75369b3bf832bdb7 [0,0,0,0,0,2|1,0,0]=3 999 B11R0.29 CC(=O)OCNCC(C)C(=O)O 0a80bb7536760a25a6b8510e0ce77dbd [0,0,0,0,0,2|1,0,0]=3 1000 B11R0.29 CC(=O)OCNCC(F)C(=O)O 655eb62727cbcb7d6a6a6281907a0b58 [0,0,0,0,0,2|1,0,0]=3 1001 B11R0.29 CC(=O)OCNCC(O)C(=O)O c429567d160f299c8c741379d9fb8b3b [0,0,0,0,0,2|1,0,0]=3 1002 B11R0.29 CC(=O)OCNC[C@@H](C)C(=O)O 5cd5dd6216d8e30901bfe3f5ea3d7448 [0,0,0,0,0,2|1,0,0]=3 1003 B11R0.29 CC(=O)OCNC[C@@H](O)C(=O)O c040d001509dd80115dbbefd0494fad1 [0,0,0,0,0,2|1,0,0]=3 1004 B11R0.29 CC(=O)OCNC[C@H](C)C(=O)O ca8e51aea96ba47af7d5a48f3f333879 [0,0,0,0,0,2|1,0,0]=3 1005 B11R0.29 CC(=O)OCNC[C@H](O)C(=O)O fe43c7a0661780d2af69b298829924a3 [0,0,0,0,0,2|1,0,0]=3 1006 B11R0.29 CC(=O)OCOCC(C)C(=O)C 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CC(COCNC(=O)N)C(=O)O 0820e03e6a84a87a4db1695dc7227bf4 [0,0,0,0,0,2|2,0,0]=4 1018 B11R0.29 CC(COCSC(=O)N)C(=O)O 19fb6f7da5777cc33863dda17f38c16f [0,0,0,0,0,2|2,0,0]=4 1019 B11R0.29 C[C@@H](COCCC(=O)N)C(=O)O 975e02cafb8c9e87b773028e5a730e21 [0,0,0,0,0,2|2,0,0]=4 1020 B11R0.29 C[C@@H](COCCC(=O)O)C(=O)O fa2187aef9fcc120f2d8aeee2d13fa4a [0,0,0,0,0,2|2,0,0]=4 1021 B11R0.29 C[C@@H](COCCS(=O)C)C(=O)O ef9e3c8752fab9a96ae08c9337d9dbf7 [0,0,0,0,0,2|2,0,0]=4 1022 B11R0.29 C[C@@H](COCSC(=O)N)C(=O)O 0e845a863afb0ea2ecf929d316ca90c7 [0,0,0,0,0,2|2,0,0]=4 1023 B11R0.29 C[C@H](COCCC(=O)N)C(=O)O 90fa007114f30597fb63a2f0d7bef063 [0,0,0,0,0,2|2,0,0]=4 1024 B11R0.29 C[C@H](COCCC(=O)O)C(=O)O 561ad5b1b3f7b34c73044106bea11165 [0,0,0,0,0,2|2,0,0]=4 1025 B11R0.29 C[C@H](COCCS(=O)C)C(=O)O 9855040d2c9db26feabecde0bcc4ec36 [0,0,0,0,0,2|2,0,0]=4 1026 B11R0.29 C[C@H](COCSC(=O)N)C(=O)O 06b814dd81dbb57200c6414049128beb [0,0,0,0,0,2|2,0,0]=4