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B8R0.6 C=CCNCC(O)CO 12d9c7ed6f0bf5fa1ee3b1fd1316b921 [1,0,0,0,0,0|2,0,1]=4 141 B8R0.6 C=CCNC[C@@H](F)CO dafaeca7b3733d0b2d5cbf1a0965d5be [1,0,0,0,0,0|2,0,1]=4 142 B8R0.6 C=CCNC[C@@H](O)CO d201d03248462fb29c2769fa551c9908 [1,0,0,0,0,0|2,0,1]=4 143 B8R0.6 C=CCNC[C@H](C)CO 83df800fa1fe19eaa9c32210c081717f [1,0,0,0,0,0|2,0,1]=4 144 B8R0.6 C=CCNC[C@H](F)CO ca8ee44d16ad2f6912e3c6ad8291cb79 [1,0,0,0,0,0|2,0,1]=4 145 B8R0.6 C=CCNC[C@H](O)CO 16898f67ff229b2336da87db45ab0890 [1,0,0,0,0,0|2,0,1]=4 146 B8R0.6 C=CCOCC(C)C=C 5db5d2f554c677cc7c48ba3eef3d0aaa [1,0,0,0,0,0|2,1,0]=4 147 B8R0.7 C#CCNCCC(=O)O 6efd5e85084acab9c542105691239e32 [1,0,0,0,0,0|1,0,2]=4 148 B8R0.7 C#CCOCCC(=O)O 4db8817d78a49abe243c505f5b6fbd25 [1,0,0,0,0,0|0,1,2]=4 149 B8R0.7 C=CCCCNC(=O)C a96a5f1b6b5650813d22e03237823400 [1,0,0,0,0,0|3,0,0]=4 150 B8R0.7 C=CCCNCC(=O)C bcd99b30d0ece034ae8651490e56c6a5 [1,0,0,0,0,0|3,0,0]=4 151 B8R0.7 C=CCCNCC(=O)N 1e9728afee7c9095106ef553572029e3 [1,0,0,0,0,0|3,0,0]=4 152 B8R0.7 C=CCCNCC(=O)O 76a631439fa66be5cf3013ae0e834c6c [1,0,0,0,0,0|2,0,0]=3 153 B8R0.7 C=CCCOCC(=O)C 797d503837e4e202e9cb8254fa6d250d [1,0,0,0,0,0|3,0,0]=4 154 B8R0.7 C=CCCOCC(=O)N a0132ffbe9a7c321f35b6b60f1c77d37 [1,0,0,0,0,0|3,0,0]=4 155 B8R0.7 C=CCCOCC(=O)O 0512617a8ef9955ac95bbc007cf463ba [1,0,0,0,0,0|2,0,0]=3 156 B8R0.7 C=CCCOCS(=O)O 5d59a515ca3d25853f48deb4680da2af [1,0,0,0,0,0|3,0,0]=4 157 B8R0.7 C=CCNCCC(=C)C e1ece5aaf51742689634160a6473c00c [1,0,0,0,0,0|3,0,0]=4 158 B8R0.7 C=CCNCCC(=O)N c4e22c4e97d549ee7501dda7440906e2 [1,0,0,0,0,0|2,0,0]=3 159 B8R0.7 C=CCNCCC(=O)O 4a5debfd45f8c7320860717744993f2a [1,0,0,0,0,0|1,0,0]=2 160 B8R0.7 C=CCNCCC(=S)N 96633c4e61869f0c77b5cb8536c5b906 [1,0,0,0,0,0|2,1,0]=4 161 B8R0.7 C=CCNCCC(C)O 1fed6d4363741bd7ad41e738315a760d [1,0,0,0,0,0|2,0,1]=4 162 B8R0.7 C=CCNCCS(=O)C e6c8e6fbeb45e19f52070af4b457befa [1,0,0,0,0,0|3,0,0]=4 163 B8R0.7 C=CCNCCS(=O)O 9269ef3a997b531d0228a411ad4b56e1 [1,0,0,0,0,0|2,0,0]=3 164 B8R0.7 C=CCNCC[C@@H](C)O eb18158b4edf95e8d76cbe758b4cff9f [1,0,0,0,0,0|2,0,1]=4 165 B8R0.7 C=CCNCC[C@H](C)O 4473edaccfa79377adf605e73cbba0bd [1,0,0,0,0,0|2,0,1]=4 166 B8R0.7 C=CCOCCC(=C)Br 68770ee60d2da5b075f0cf42b1e99667 [1,0,0,0,0,0|2,1,0]=4 167 B8R0.7 C=CCOCCC(=C)C 7e1709490e00f3635bad6c701b48ead8 [1,0,0,0,0,0|2,1,0]=4 168 B8R0.7 C=CCOCCC(=O)C 329a78e4caec96ed4eabde1e54085f6f [1,0,0,0,0,0|1,1,0]=3 169 B8R0.7 C=CCOCCC(=O)N c683f70750e78c699bdb2e05fabddbb6 [1,0,0,0,0,0|1,1,0]=3 170 B8R0.7 C=CCOCCC(=O)O 9ce82e4dfa256c2803f66fd7129065f2 [1,0,0,0,0,0|0,1,0]=2 171 B8R0.7 C=CCOCCS(=O)C 080f8a20cdcacfdf3cf78abb0a4ef050 [1,0,0,0,0,0|2,1,0]=4 172 B8R0.7 C=CCOCC[N+](=O)[O-] f191e75c23486621274afd50359069af [1,0,0,0,0,0|1,1,1]=4 173 B8R0.7 C=CCOCNC(=O)C 9865141036101ac320553ca04e5ea416 [1,0,0,0,0,0|2,1,0]=4 174 B8R0.7 C=CCOCNC(=O)N 194ed715ce4639d60c4d3113aa712dce [1,0,0,0,0,0|2,1,0]=4 175 B8R0.7 CC(=O)CCOCC=O 7d9485ec83093875068f9e670696c657 [1,0,0,0,0,0|2,1,0]=4 176 B8R0.7 CCCNCCC(=O)O 47226423aa5b665923516680070294a2 [1,0,0,0,0,0|1,0,2]=4 177 B8R0.7 CCCOCCC(=O)O 65883243788987d42449403fa915dd7d [1,0,0,0,0,0|0,1,2]=4 178 B8R0.7 COCNCCC(=O)O 6cfc61f9f7468a99c69b381c4067bdfb [1,0,0,0,0,0|2,0,1]=4 179 B8R0.7 COCOCCC(=O)O 1302d1ad564a958c9ef097b350c13897 [1,0,0,0,0,0|1,1,1]=4 180 B8R0.7 CSCNCCC(=O)O 098fcb068b20e260bdec4c343b4671e9 [1,0,0,0,0,0|2,0,1]=4 181 B8R0.7 CSCOCCC(=O)O 729e28748e361be58000ab33275c6b91 [1,0,0,0,0,0|1,1,1]=4 182 B8R0.7 N#CCNCCC(=O)O 26556793ee589201382d4a045c687d03 [1,0,0,0,0,0|2,0,1]=4 183 B8R0.7 N#CCOCCC(=O)O 5682b245006f80100a85fc7fd38aef94 [1,0,0,0,0,0|1,1,1]=4 184 B8R0.7 NC(=O)CCNCC=O bc87ead88c5b068b2b991d595ef66ed6 [1,0,0,0,0,0|3,0,0]=4 185 B8R0.7 NC(=O)CCOCC=O 0f8544d00ceae7ccf81f543e5c4d2807 [1,0,0,0,0,0|2,1,0]=4 186 B8R0.7 O=C(O)CCNCCBr 29cc353153febf3a8c067ebc7d4659a9 [1,0,0,0,0,0|2,0,1]=4 187 B8R0.7 O=C(O)CCNCCF cb03b3b8d9be6ed00316ec8fa58ea22d [1,0,0,0,0,0|2,0,1]=4 188 B8R0.7 O=C(O)CCNCCI 1fb0bb507aa993f2a3522c41edc93100 [1,0,0,0,0,0|2,0,1]=4 189 B8R0.7 O=C(O)CCNCCO 7fda1e67c117139da08349807b03ae85 [1,0,0,0,0,0|2,0,1]=4 190 B8R0.7 O=C(O)CCNCCS e7b12ac116347e188c56484ce05a8410 [1,0,0,0,0,0|2,0,1]=4 191 B8R0.7 O=C(O)CCOCCF fcf96ee60132be28c36745264cbf0317 [1,0,0,0,0,0|1,1,1]=4 192 B8R0.7 O=C(O)CCOCCS 61b8e7b02af12e03f8a3747e8eb16780 [1,0,0,0,0,0|1,1,1]=4 193 B8R0.7 O=CCCNCC(=O)O bf4ced9bc1bbfa03663a8c8af093471d [1,0,0,0,0,0|3,0,0]=4 194 B8R0.7 O=CCCOCC(=O)O ef6505414c853b0dfbd12bbe62edb448 [1,0,0,0,0,0|3,0,0]=4 195 B8R0.7 O=CCNCCC(=O)O 2746d5d7d8507565af45509ba7bc6f1c [1,0,0,0,0,0|2,0,0]=3 196 B8R0.7 O=CCNCCS(=O)O 104aeeba492ec25284f66848d37f717a [1,0,0,0,0,0|3,0,0]=4 197 B8R0.7 O=CCOCCC(=O)O de14f86217b2e4a0f4d6c6c831b08e2c [1,0,0,0,0,0|1,1,0]=3 198 B8R0.8 C=CCCN(C)C(=O)C 851a28f530c13f40a194c5bcebcd03fc [1,0,0,0,0,0|3,0,0]=4 199 B8R0.8 C=CCNC(C)C(=O)N d23d3e7d17b048913bbef97e5f4447f5 [1,0,0,0,0,0|3,0,0]=4 200 B8R0.8 C=CCNC(C)C(=O)O 4027c27acb0fdf3aaf8b355f1a408423 [1,0,0,0,0,0|2,0,0]=3 201 B8R0.8 C=CCNC(O)C(=O)O 0ecf31d72e8de05d5ba28c50354b10f9 [1,0,0,0,0,0|2,0,0]=3 202 B8R0.8 C=CCN[C@@H](C)C(=O)N 14e80c0d6381e9fde93b9866d76ae313 [1,0,0,0,0,0|3,0,0]=4 203 B8R0.8 C=CCN[C@@H](C)C(=O)O a2a3215161cedaeb69cecc40398800bc [1,0,0,0,0,0|2,0,0]=3 204 B8R0.8 C=CCN[C@H](C)C(=O)N eb3c3df88a54e711810c3aab2f1130f0 [1,0,0,0,0,0|3,0,0]=4 205 B8R0.8 C=CCN[C@H](C)C(=O)O 9c9e167784ec1fd5265aa094a42d05d8 [1,0,0,0,0,0|2,0,0]=3 206 B8R0.8 C=CCOC(C)C(=O)C 67a80f394e84cf94a6ded2477a1d988b [1,0,0,0,0,0|2,1,0]=4 207 B8R0.8 C=CCOC(C)C(=O)N 2c5104c1d37249d8a6858861948db0aa [1,0,0,0,0,0|2,1,0]=4 208 B8R0.8 C=CCOC(C)C(=O)O 950b3a8c28d6da5c53fb492d3fdc807b [1,0,0,0,0,0|1,1,0]=3 209 B8R0.8 C=CCO[C@@H](C)C(=O)N ace47d071d29c7c7c1633196643eb933 [1,0,0,0,0,0|2,1,0]=4 210 B8R0.8 C=CCO[C@@H](C)C(=O)O 25467a59582a2906ce4ce45146ee1287 [1,0,0,0,0,0|1,1,0]=3 211 B8R0.8 C=CCO[C@H](C)C(=O)N 1d420bc3401d279f525ddda584537dee [1,0,0,0,0,0|2,1,0]=4 212 B8R0.8 C=CCO[C@H](C)C(=O)O 0b91c4aaff97cd63715f015c1d0c9e20 [1,0,0,0,0,0|1,1,0]=3 213 B8R0.8 CC(CNCF)C(=O)O 81c40ac360e7f6cce7aa3313199a6d5d [1,0,0,0,0,0|3,0,0]=4 214 B8R0.8 CC(CNCO)C(=O)O e22ad5b294faf2e87974a8321cb31821 [1,0,0,0,0,0|3,0,0]=4 215 B8R0.8 CC(COCF)C(=O)O 415e8d45727d24f32c3b9f930225f08d [1,0,0,0,0,0|2,1,0]=4 216 B8R0.8 CC(NCC=O)C(=O)O 68b69b45ee2126dd65ee50d2916637e9 [1,0,0,0,0,0|3,0,0]=4 217 B8R0.8 CC(OCC=O)C(=O)O f7d574d73325531577cc3be3ba579ff3 [1,0,0,0,0,0|2,1,0]=4 218 B8R0.8 CCNCC(C)C(=O)O f1d53d3e850c3e5f7eacfd1722a00821 [1,0,0,0,0,0|2,0,1]=4 219 B8R0.8 CCNCC(F)C(=O)O 3b295cc4c966015ef89d181bb2cf0fd1 [1,0,0,0,0,0|2,0,1]=4 220 B8R0.8 CCNCC(O)C(=O)O 199a2ff9ee4d2808377aac2de3a1300d [1,0,0,0,0,0|2,0,1]=4 221 B8R0.8 CCNC[C@@H](C)C(=O)O c248e05b45d9e657c31f93c9072982c9 [1,0,0,0,0,0|2,0,1]=4 222 B8R0.8 CCNC[C@@H](O)C(=O)O 0b3a1c0d41c6b74588ef5eb637fd0fb0 [1,0,0,0,0,0|2,0,1]=4 223 B8R0.8 CCNC[C@H](C)C(=O)O 0c2e6d5b0da6964440e6e3ec89c9de07 [1,0,0,0,0,0|2,0,1]=4 224 B8R0.8 CCNC[C@H](O)C(=O)O 8f48edbc7af4278b5a62e9966729660b [1,0,0,0,0,0|2,0,1]=4 225 B8R0.8 CCOCC(C)C(=O)O 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B10R0.42 C=CCNCC(C)(C)C(=O)O 7a5029d733da1fe0fa513432f63a3ad9 [0,1,0,0,0,0|2,0,0]=3 271 B10R0.42 C=CCNCC(F)(F)C(=O)O fbda252313c6fc87338990736b37d1e1 [0,1,0,0,0,0|2,0,0]=3 272 B10R0.42 C=CCOCC(C)(C)C(=O)C a4ee95aa5a6e28e947053886a6e4b944 [0,1,0,0,0,0|2,1,0]=4 273 B10R0.42 C=CCOCC(C)(C)C(=O)N 9a43fb5f10a8c36119ba20babc71232d [0,1,0,0,0,0|2,1,0]=4 274 B10R0.42 C=CCOCC(C)(C)C(=O)O 7df28be7087856bd29e229941cc312d6 [0,1,0,0,0,0|1,1,0]=3 275 B10R0.42 CC(C)(CNCC=O)C(=O)O c2dbafb5772e6404a888bfd03b8d8a97 [0,1,0,0,0,0|3,0,0]=4 276 B10R0.42 CC(C)(COCC=O)C(=O)O 84db8c418cdddb8c413b0dd284c4984e [0,1,0,0,0,0|2,1,0]=4 277 B10R0.42 O=CCNCC(F)(F)C(=O)O 31695dae06afe2412ef15df8385a7c4c [0,1,0,0,0,0|3,0,0]=4 278 B10R0.75 C/C=C/CNCC(C)C(=O)O 9b6e5d3f8689831e5d980490aaaee565 [0,1,0,0,0,0|2,0,0]=3 279 B10R0.75 C/C=C/CNCC(F)C(=O)O f5ac822664a04159d0acd29af333ebb5 [0,1,0,0,0,0|2,0,0]=3 280 B10R0.75 C/C=C/CNCC(O)C(=O)O 81a5cd467106a3dc74a4166223b5a7f7 [0,1,0,0,0,0|2,0,0]=3 281 B10R0.75 C/C=C/CNC[C@@H](C)C(=O)O 7cead21caf76faff5c18b38001067b9d [0,1,0,0,0,0|2,0,0]=3 282 B10R0.75 C/C=C/CNC[C@@H](O)C(=O)O 933e39be6b567942a29ce50c22dec874 [0,1,0,0,0,0|2,0,0]=3 283 B10R0.75 C/C=C/CNC[C@H](C)C(=O)O 7c40ea8caae029d043f3f27b759e3b76 [0,1,0,0,0,0|2,0,0]=3 284 B10R0.75 C/C=C/CNC[C@H](O)C(=O)O 2643aa9b5f1422258befebde8fee6ed0 [0,1,0,0,0,0|2,0,0]=3 285 B10R0.75 C/C=C/COCC(=O)C(=O)O 2efe149547d26edbc564ea52d2a84d8a [0,1,0,0,0,0|1,1,1]=4 286 B10R0.75 C/C=C/COCC(C)C(=O)C 0774ce1e26f8062d3bb4c8c51c4ee6c6 [0,1,0,0,0,0|2,1,0]=4 287 B10R0.75 C/C=C/COCC(C)C(=O)O 791efd0d2d3b7ba675c897c5aea33f2c [0,1,0,0,0,0|1,1,0]=3 288 B10R0.75 C/C=C/COC[C@@H](C)C(=O)O ff13c0adbc344d4a9535665fbbb2ae47 [0,1,0,0,0,0|1,1,0]=3 289 B10R0.75 C/C=C/COC[C@H](C)C(=O)O d7f06b87f711c5ed865d11cd761beeae [0,1,0,0,0,0|1,1,0]=3 290 B10R0.75 C/C=C\CNCC(C)C(=O)O f884294ea8e18ac53432b582889c58fd [0,1,0,0,0,0|2,0,0]=3 291 B10R0.75 C/C=C\CNCC(F)C(=O)O 69420df7820f940f56794aa927ec0696 [0,1,0,0,0,0|2,0,0]=3 292 B10R0.75 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C=C(COC/C=C/C)C(=O)O 22aee2ba74291662b332f12068051736 [0,1,0,0,0,0|1,1,1]=4 304 B10R0.75 C=C(COC/C=C/Cl)C(=O)O 60ffc2e22a1586c8aa22bb3886a48cfc [0,1,0,0,0,0|1,1,1]=4 305 B10R0.75 C=C(COC/C=C\C)C(=O)O 0d0ea95b5c5a02c065605d9dde3ee02c [0,1,0,0,0,0|1,1,1]=4 306 B10R0.75 C=C(COC/C=C\Cl)C(=O)O 039248734f865586ca0b9bdf6bc050b4 [0,1,0,0,0,0|1,1,1]=4 307 B10R0.75 C=C(COCC=CC)C(=O)O 8e89be43877517ec333fed1eb826d994 [0,1,0,0,0,0|1,1,1]=4 308 B10R0.75 C=C(COCC=CCl)C(=O)O d0e0c3bfbe08954bb0a7fa0978a7a0fd [0,1,0,0,0,0|1,1,1]=4 309 B10R0.75 C=C=CCCOC(C)C(=O)O 170b15683c196d48e420c676589eec6b [0,1,0,0,0,0|3,0,0]=4 310 B10R0.75 C=C=CCCOC(F)C(=O)O ab6dbe9a46e233f6ef219dc587b79da6 [0,1,0,0,0,0|3,0,0]=4 311 B10R0.75 C=C=CCCO[C@@H](C)C(=O)O e8d71ba160f1324c2851b6c546d21795 [0,1,0,0,0,0|3,0,0]=4 312 B10R0.75 C=C=CCCO[C@@H](F)C(=O)O c8be5c0e2dd7ddfc69c14d84e49393e7 [0,1,0,0,0,0|3,0,0]=4 313 B10R0.75 C=C=CCCO[C@H](C)C(=O)O 9a15664f73041ef62baab71793b0cbb1 [0,1,0,0,0,0|3,0,0]=4 314 B10R0.75 C=CCCCNC(C)C(=O)C 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[0,1,0,0,0,0|3,0,0]=4 469 B10R0.83 C=CCCN[C@H](C)C(=O)OC 65c8cb50e93edecedd2a277eb1ad7ac5 [0,1,0,0,0,0|3,0,0]=4 470 B10R0.83 C=CCCOC(C)C(=O)OC a2c6a2609b4af9e4a357a9b1e2188175 [0,1,0,0,0,0|3,0,0]=4 471 B10R0.83 C=CCCO[C@@H](C)C(=O)OC 4d654d68580b5503759c7337d4a6186b [0,1,0,0,0,0|3,0,0]=4 472 B10R0.83 C=CCCO[C@H](C)C(=O)OC 14edb9984d896eff73ddc14b01bd786f [0,1,0,0,0,0|3,0,0]=4 473 B10R0.83 C=CCNCC(C)C(=O)OC e9db0fe8178e10de550bb895f04b5b3f [0,1,0,0,0,0|2,0,0]=3 474 B10R0.83 C=CCOCC(=C)C(=O)OC c25487749e2240a5a91f37f2c1940025 [0,1,0,0,0,0|1,1,1]=4 475 B10R0.83 C=CCOCC(C)C(=O)OC 49391431ea4e579f2331e45f8430cc33 [0,1,0,0,0,0|1,1,0]=3 476 B10R0.83 C=CCOCC(F)C(=O)OC a715ee830a14d8121db0673198e40e6d [0,1,0,0,0,0|1,1,0]=3 477 B10R0.83 C=CCOC[C@@H](C)C(=O)OC 144b54b1eeb66f0fcd0616e4ab857b9f [0,1,0,0,0,0|1,1,0]=3 478 B10R0.83 C=CCOC[C@H](C)C(=O)OC 916e923c378872e54f4fc93ee1b2fbe6 [0,1,0,0,0,0|1,1,0]=3 479 B10R0.83 COC(=O)C(C)CNCC=O 5e8ba7ae95798776bc493df23c669f7b [0,1,0,0,0,0|3,0,0]=4 480 B10R0.83 COC(=O)C(C)COCC=O 71e6947b447f5ef308550dc6397e840c [0,1,0,0,0,0|2,1,0]=4 481 B10R0.83 COC(=O)C(F)COCC=O fd05fc4b19c0388b0659986c74e630d6 [0,1,0,0,0,0|2,1,0]=4 482 B10R0.83 COC(=O)[C@@H](C)COCC=O f01ed71fe0c5325711f0e6e2d23ced5b [0,1,0,0,0,0|2,1,0]=4 483 B10R0.83 COC(=O)[C@H](C)COCC=O 5f2db105280acc1c4bd0b6a8e1b8f486 [0,1,0,0,0,0|2,1,0]=4 484 B10R0.86 C#CC(OCCC=C)C(=O)O c65f9081c9ced89ff71176bc194e0970 [0,1,0,0,0,0|3,0,0]=4 485 B10R0.86 C=CCCNC(C=C)C(=O)O 5da726c76f53c0f5a8ce4485d34d1eae [0,1,0,0,0,0|3,0,0]=4 486 B10R0.86 C=CCCNC(CC)C(=O)O b38a63128729554bdef7354a7315473b [0,1,0,0,0,0|3,0,0]=4 487 B10R0.86 C=CCCNC(CCl)C(=O)O c13012e76932de374c0aacf222b2165f [0,1,0,0,0,0|3,0,0]=4 488 B10R0.86 C=CCCNC(CF)C(=O)O 736bc4948ebde1f5b57fc31c93429cfb [0,1,0,0,0,0|3,0,0]=4 489 B10R0.86 C=CCCNC(CO)C(=O)O c0e45473661a63fa056bc6cc9af36c51 [0,1,0,0,0,0|3,0,0]=4 490 B10R0.86 C=CCCNC(CS)C(=O)O 24d298878a9a9e4f03f6e07f9e782d64 [0,1,0,0,0,0|3,0,0]=4 491 B10R0.86 C=CCCN[C@@H](C=C)C(=O)O 02d8c03704d78c47a6185a91d9b6bc0f [0,1,0,0,0,0|3,0,0]=4 492 B10R0.86 C=CCCN[C@@H](CC)C(=O)O d50064e68057e9a5ef2adf62fb26acb4 [0,1,0,0,0,0|3,0,0]=4 493 B10R0.86 C=CCCN[C@@H](CCl)C(=O)O 2fbd491340397f82347a0d84a40951de [0,1,0,0,0,0|3,0,0]=4 494 B10R0.86 C=CCCN[C@@H](CO)C(=O)O f7963050d2a61147bafffe6327fbc153 [0,1,0,0,0,0|3,0,0]=4 495 B10R0.86 C=CCCN[C@@H](CS)C(=O)O 9a5cfc224acb352f7b820ea7f0da9b6e [0,1,0,0,0,0|3,0,0]=4 496 B10R0.86 C=CCCN[C@H](CC)C(=O)O e0e49e018fd9ca2bb1356728e0c98081 [0,1,0,0,0,0|3,0,0]=4 497 B10R0.86 C=CCCN[C@H](CCl)C(=O)O 44864c723f6b17fb0764544e44392885 [0,1,0,0,0,0|3,0,0]=4 498 B10R0.86 C=CCCN[C@H](CO)C(=O)O c4cd5fd2153d2c32716479bbeff050f3 [0,1,0,0,0,0|3,0,0]=4 499 B10R0.86 C=CCCN[C@H](CS)C(=O)O cdedbcd486e07e981d1d5f6036face39 [0,1,0,0,0,0|3,0,0]=4 500 B10R0.86 C=CCCOC(CC)C(=O)O 672fa2269259837a98a794ef924e23a3 [0,1,0,0,0,0|3,0,0]=4 501 B10R0.86 C=CCCOC(CF)C(=O)O 85623084edc5d9ee682de4078786d143 [0,1,0,0,0,0|3,0,0]=4 502 B10R0.86 C=CCCO[C@@H](CC)C(=O)O 445e86d0264e72cc48fff6eaff300a71 [0,1,0,0,0,0|3,0,0]=4 503 B10R0.86 C=CCCO[C@H](CC)C(=O)O a280ef01e77560db8b02b8c4ad02fae8 [0,1,0,0,0,0|3,0,0]=4 504 B10R0.86 C=CCCO[C@H](CF)C(=O)O 77d8d51fa064e8c0772c62eec9377777 [0,1,0,0,0,0|3,0,0]=4 505 B10R0.86 C=CCNCC(C#N)C(=O)O e1cbeb4f301e52455c126e4c375890cc [0,1,0,0,0,0|1,0,1]=3 506 B10R0.86 C=CCNC[C@H](CC)C(=O)O a5b87ef4174a7fd64cbe5a7c5e5e7b2b [0,1,0,0,0,0|2,0,0]=3 507 B10R0.86 C=CCNC[C@H](CO)C(=O)O 95231be1c872ff6363a3b8533d2aaf35 [0,1,0,0,0,0|2,0,0]=3 508 B10R0.86 CC[C@@H](CNCC=O)C(=O)O a191bd1173eaecf5eadec5abc348c827 [0,1,0,0,0,0|3,0,0]=4 509 B10R0.86 N#CC(CNCC=O)C(=O)O 36c64e7da8822f148efbd6a8f0040a43 [0,1,0,0,0,0|2,0,1]=4 510 B10R0.86 O=CCNC[C@H](CO)C(=O)O f586387368b7f59d955231d9979669ab [0,1,0,0,0,0|3,0,0]=4 511 B10R0.98 C=C(Br)CNCC(=C)C(=O)O 147a6b55ad2d14e77c0663dfc000e76a [0,1,0,0,0,0|2,0,1]=4 512 B10R0.98 C=C(Br)CNCC(=O)C(=O)O 9b5bfec56a752baaf48c6d30f4a95c89 [0,1,0,0,0,0|2,0,1]=4 513 B10R0.98 C=C(Br)CNCC(C)C(=O)O 55034e04c4415cbfab1db299c415a0f8 [0,1,0,0,0,0|2,0,0]=3 514 B10R0.98 C=C(Br)CNCC(F)C(=O)O aad5729da8d772e07a5bbafe61bfc97d [0,1,0,0,0,0|2,0,0]=3 515 B10R0.98 C=C(Br)CNCC(O)C(=O)O 0bf3a7c19b335e7856478fe9520961ad [0,1,0,0,0,0|2,0,0]=3 516 B10R0.98 C=C(Br)CNC[C@@H](C)C(=O)O e95f3ceb64c285363a8d049217d58ac4 [0,1,0,0,0,0|2,0,0]=3 517 B10R0.98 C=C(Br)CNC[C@@H](O)C(=O)O c3aa0ba8894cf37314cd0bb5605bdff8 [0,1,0,0,0,0|2,0,0]=3 518 B10R0.98 C=C(Br)CNC[C@H](C)C(=O)O 841f4340ac9e892a3589471a5e61cc6b [0,1,0,0,0,0|2,0,0]=3 519 B10R0.98 C=C(Br)CNC[C@H](O)C(=O)O 4529f65b320a02317caaddcc382acdb9 [0,1,0,0,0,0|2,0,0]=3 520 B10R0.98 C=C(Br)COCC(=C)C(=O)O 64c9df95c93528c72f3fae15c50caa96 [0,1,0,0,0,0|1,1,1]=4 521 B10R0.98 C=C(Br)COCC(C)C(=O)C ebb534f375662179fbf4b19ab04acaf8 [0,1,0,0,0,0|2,1,0]=4 522 B10R0.98 C=C(Br)COCC(C)C(=O)O b48c08c4661880ad38ceaec3ea54a2df [0,1,0,0,0,0|1,1,0]=3 523 B10R0.98 C=C(Br)COC[C@@H](C)C(=O)O 612632d2b28ff85a87b0933fa382d912 [0,1,0,0,0,0|1,1,0]=3 524 B10R0.98 C=C(Br)COC[C@H](C)C(=O)O fba0e4c655922de1074a4a6c5e0285aa [0,1,0,0,0,0|1,1,0]=3 525 B10R0.98 C=C(C)CCNC(C)C(=O)O b0e0e4fd1004d6886a2c7bb1bac44ff4 [0,1,0,0,0,0|3,0,0]=4 526 B10R0.98 C=C(C)CCNC(O)C(=O)O 3a381811292a13207580c8c58da3c06c [0,1,0,0,0,0|3,0,0]=4 527 B10R0.98 C=C(C)CCN[C@@H](C)C(=O)O cf4d2e83ba1da80531ea16678389966e [0,1,0,0,0,0|3,0,0]=4 528 B10R0.98 C=C(C)CCN[C@H](C)C(=O)O c39d41be1a4b65b510a7cd65818f6800 [0,1,0,0,0,0|3,0,0]=4 529 B10R0.98 C=C(C)CNCC(=C)C(=O)O 4785d2c5c046dc339278b3e68a93a065 [0,1,0,0,0,0|2,0,1]=4 530 B10R0.98 C=C(C)CNCC(=O)C(=O)O 04f4f45128e26e153c830ab03cc70ce8 [0,1,0,0,0,0|2,0,1]=4 531 B10R0.98 C=C(C)CNCC(C)C(=O)O 6d7030fcc19440f6f3be5ef4d03704b2 [0,1,0,0,0,0|2,0,0]=3 532 B10R0.98 C=C(C)CNCC(F)C(=O)O 539b77e968f4d5cba623a31a349483a1 [0,1,0,0,0,0|2,0,0]=3 533 B10R0.98 C=C(C)CNCC(O)C(=O)O 0c7f2cbe370bf8fdbddb195b6140866f [0,1,0,0,0,0|2,0,0]=3 534 B10R0.98 C=C(C)CNC[C@@H](C)C(=O)O e218a48bfdebd811193dbefbb7dc4953 [0,1,0,0,0,0|2,0,0]=3 535 B10R0.98 C=C(C)CNC[C@@H](O)C(=O)O 943a88840b3dce10afd255b47022e5f7 [0,1,0,0,0,0|2,0,0]=3 536 B10R0.98 C=C(C)CNC[C@H](C)C(=O)O 0120729daa22b2e6616ba9fafb81b145 [0,1,0,0,0,0|2,0,0]=3 537 B10R0.98 C=C(C)CNC[C@H](O)C(=O)O 297d2359ccb87cf853bd202bbfbfe49c [0,1,0,0,0,0|2,0,0]=3 538 B10R0.98 C=C(C)COCC(=C)C(=O)O 5ad7e14e2222132bc0da069fc45f480f [0,1,0,0,0,0|1,1,1]=4 539 B10R0.98 C=C(C)COCC(C)C(=O)C 94c0c39bce5a9e0af80e49b48f835740 [0,1,0,0,0,0|2,1,0]=4 540 B10R0.98 C=C(C)COCC(C)C(=O)O 93baf4cba2d031846073fe0ce8d4d86e [0,1,0,0,0,0|1,1,0]=3 541 B10R0.98 C=C(C)COC[C@@H](C)C(=O)O 51e76c87bd8016021d24b2282fff3b6c [0,1,0,0,0,0|1,1,0]=3 542 B10R0.98 C=C(C)COC[C@H](C)C(=O)O eec220459a8fb63a795115bd99bf9531 [0,1,0,0,0,0|1,1,0]=3 543 B10R0.98 C=C(Cl)CNCC(C)C(=O)O f8d92551e87d758ed9e5d2d2668f305d [0,1,0,0,0,0|2,0,0]=3 544 B10R0.98 C=C(Cl)CNCC(O)C(=O)O e82a946c8038d43ec159c17a34c63343 [0,1,0,0,0,0|2,0,0]=3 545 B10R0.98 C=C(Cl)CNC[C@@H](C)C(=O)O fec1ef9d2357531d354ac6a5beb087ae [0,1,0,0,0,0|2,0,0]=3 546 B10R0.98 C=C(Cl)CNC[C@@H](O)C(=O)O 0bcfc7304b64b099daac4a5a65151203 [0,1,0,0,0,0|2,0,0]=3 547 B10R0.98 C=C(Cl)CNC[C@H](C)C(=O)O 63d49ae3b8ec413496f74fd689cff937 [0,1,0,0,0,0|2,0,0]=3 548 B10R0.98 C=C(Cl)CNC[C@H](O)C(=O)O f58029e04a7a57f712107bb7acf9af5e [0,1,0,0,0,0|2,0,0]=3 549 B10R0.98 C=C(Cl)COCC(=C)C(=O)O 8c639d5f0f0869206cb2b0a188e4a4fe [0,1,0,0,0,0|1,1,1]=4 550 B10R0.98 C=C(Cl)COCC(=O)C(=O)O 672671a83011e0948ece65044512223f [0,1,0,0,0,0|1,1,1]=4 551 B10R0.98 C=C(Cl)COCC(C)C(=O)C 33f72a213abc0831362af9927b34c4fb [0,1,0,0,0,0|2,1,0]=4 552 B10R0.98 C=C(Cl)COCC(C)C(=O)O 6c9ce5f7542ed1aa56bba22f9ff926dc [0,1,0,0,0,0|1,1,0]=3 553 B10R0.98 C=C(Cl)COC[C@@H](C)C(=O)O 9076c4e0ea28780ad0cbfeb5bc50d4df [0,1,0,0,0,0|1,1,0]=3 554 B10R0.98 C=C(Cl)COC[C@H](C)C(=O)O 1ba6715cbf248fd58d3c081399a4a54e [0,1,0,0,0,0|1,1,0]=3 555 B10R0.98 C=C(F)CNCC(C)C(=O)O b69c9eb980c578d059eb8c37fe5f0254 [0,1,0,0,0,0|2,0,0]=3 556 B10R0.98 C=C(F)CNCC(F)C(=O)O f2dd9894db1ff2c8f77d50077717598e [0,1,0,0,0,0|2,0,0]=3 557 B10R0.98 C=C(F)CNCC(O)C(=O)O 1a3ee6d627befde4669371c4716eda3c [0,1,0,0,0,0|2,0,0]=3 558 B10R0.98 C=C(F)CNC[C@@H](C)C(=O)O 29f6444e5f3cfc2c3b54979991bb41ce [0,1,0,0,0,0|2,0,0]=3 559 B10R0.98 C=C(F)CNC[C@@H](O)C(=O)O 3b4ec7a893c6cd135772f3125f51d45f [0,1,0,0,0,0|2,0,0]=3 560 B10R0.98 C=C(F)CNC[C@H](C)C(=O)O 06a0f84d619fd7ef86cef2250b36c7e0 [0,1,0,0,0,0|2,0,0]=3 561 B10R0.98 C=C(F)CNC[C@H](O)C(=O)O 83f81515f5f5cf2bfe63666deb212168 [0,1,0,0,0,0|2,0,0]=3 562 B10R0.98 C=C(F)COCC(=C)C(=O)O 25ad4a6214511d0c7aaf85598562cb7b [0,1,0,0,0,0|1,1,1]=4 563 B10R0.98 C=C(F)COCC(C)C(=O)C 0eeee7d9640dafd2a188c9e41f6cdc4b [0,1,0,0,0,0|2,1,0]=4 564 B10R0.98 C=C(F)COCC(C)C(=O)O 7c2021118e383d387a53311bf3d96b1b [0,1,0,0,0,0|1,1,0]=3 565 B10R0.98 C=C(F)COC[C@@H](C)C(=O)O 13a94138fe864819ea6a127e5aa936b1 [0,1,0,0,0,0|1,1,0]=3 566 B10R0.98 C=C(F)COC[C@H](C)C(=O)O 357cd72063f11e3d746615e39091f699 [0,1,0,0,0,0|1,1,0]=3 567 B10R0.98 C=C(I)COCC(=C)C(=O)O 3c9a0137345db73bcfb281b3068c7f46 [0,1,0,0,0,0|1,1,1]=4 568 B10R0.98 C=C(I)COCC(C)C(=O)O de73d4ed4bc664660fbeb32e5b41d852 [0,1,0,0,0,0|1,1,0]=3 569 B10R0.98 CC(=O)CNCC(C)C(=O)O 954f59d2a15bcc577e78fb0280f85f2d [0,1,0,0,0,0|2,0,1]=4 570 B10R0.98 CC(=O)CNCC(O)C(=O)O 436043327e17179b869da8149709b3ca [0,1,0,0,0,0|2,0,1]=4 571 B10R0.98 CC(=O)CNC[C@H](O)C(=O)O 9245e0f36479d27493764ee57f2273cf [0,1,0,0,0,0|2,0,1]=4 572 B10R0.98 CC(=O)COCC(C)C(=O)O 2c26bd0abfa54a0d285268c0f23477b3 [0,1,0,0,0,0|1,1,1]=4 573 B10R0.98 CC(CNCC(=O)N)C(=O)O 9198c97e7746930465467e41f4c0bd88 [0,1,0,0,0,0|3,0,0]=4 574 B10R0.98 CC(CNCC(=O)O)C(=O)O f8e1044cdd6b9330f503ac0aff0be28a [0,1,0,0,0,0|3,0,0]=4 575 B10R0.98 CC(COCC(=O)N)C(=O)O 3c45e5cbc92812ce8a58057597ed7f0e [0,1,0,0,0,0|2,1,0]=4 576 B10R0.98 CC(COCC(=O)O)C(=O)O e854bc6f351dc52d45f5c2c753b51533 [0,1,0,0,0,0|2,1,0]=4 577 B10R0.98 CC(COCC(=S)N)C(=O)O a560e01b30c9841bfed6e57eb30d8583 [0,1,0,0,0,0|2,1,0]=4 578 B10R0.98 C[C@@H](CNCC(=O)N)C(=O)O 249c0e618aa02933a63838ba885858d2 [0,1,0,0,0,0|3,0,0]=4 579 B10R0.98 C[C@@H](CNCC(=O)O)C(=O)O 41bcb7b2c0c8633ab7ff5ad85d898dca [0,1,0,0,0,0|3,0,0]=4 580 B10R0.98 C[C@@H](COCC(=O)N)C(=O)O dd0265945df19e2e6fe1583fc8fa32c0 [0,1,0,0,0,0|2,1,0]=4 581 B10R0.98 C[C@@H](COCC(=O)O)C(=O)O 0fec438ef6c26f9e3ead4fee1dcbed12 [0,1,0,0,0,0|2,1,0]=4 582 B10R0.98 C[C@H](CNCC(=O)N)C(=O)O cdbc7160a071330689b59c22e6a51701 [0,1,0,0,0,0|3,0,0]=4 583 B10R0.98 C[C@H](CNCC(=O)O)C(=O)O 094fb986ff470e0636a77801e4b252e5 [0,1,0,0,0,0|3,0,0]=4 584 B10R0.98 C[C@H](COCC(=O)N)C(=O)O 2a7fd7602682a342e142cc2349b06fb9 [0,1,0,0,0,0|2,1,0]=4 585 B10R0.98 C[C@H](COCC(=O)O)C(=O)O 17d8376940bbbbd6ec3777b32b699102 [0,1,0,0,0,0|2,1,0]=4 586 B10R0.98 NC(=O)CNCC(F)C(=O)O c09412c6a1a6f0d0338cdf9a9bee01df [0,1,0,0,0,0|3,0,0]=4 587 B10R0.98 NC(=O)CNCC(O)C(=O)O 78940daeafb6eddfe053855580b48e7c [0,1,0,0,0,0|3,0,0]=4 588 B10R0.98 NC(=O)CNC[C@@H](O)C(=O)O 77d839c939d9086737b4aa323c21f845 [0,1,0,0,0,0|3,0,0]=4 589 B10R0.98 NC(=O)CNC[C@H](O)C(=O)O 43e927506234137160943374987780d9 [0,1,0,0,0,0|3,0,0]=4 590 B10R0.98 O=C(O)CNCC(F)C(=O)O fe90da20be01f25dfd15e9a6ecb66409 [0,1,0,0,0,0|3,0,0]=4 591 B10R0.98 O=C(O)CNCC(O)C(=O)O fc257139eff6384ed1e8d56998b04344 [0,1,0,0,0,0|3,0,0]=4 592 B10R0.98 O=C(O)CNC[C@@H](O)C(=O)O 028cb59c2af7ee9b43aad02aa282f28d [0,1,0,0,0,0|3,0,0]=4 593 B10R0.98 O=C(O)CNC[C@H](O)C(=O)O 4a109bd6ec6148763287c6afc3f13aba [0,1,0,0,0,0|3,0,0]=4 594 B10R1.37 C=CCOCC1CCC1=O 7b4063c7af0eef751a04c08de14319e3 [0,0,0,1,0,0|2,1,0]=4 595 B10R1.93 C=CCN1CC(C1)C(=O)N 198b0751b3923759982b6e53c5a1f034 [0,0,0,1,0,0|3,0,0]=4 596 B10R1.93 C=CCN1CC(C1)C(=O)O fafda17d10fc44f0899fc8d60e670176 [0,0,0,1,0,0|2,0,0]=3 597 B10R1.93 O=CCN1CC(C1)C(=O)O 34bef628163a23b07df0252319a6c252 [0,0,0,1,0,0|3,0,0]=4 598 B10R0.6 C=CCCCN(C)CC(=O)O d2fe223ad417384f82c8160cc6d03b88 [0,0,0,0,0,1|3,0,0]=4 599 B10R0.6 C=CCCNC(C)CC(=O)O 3462b723563a9c33444b9ccf63ec30d3 [0,0,0,0,0,1|3,0,0]=4 600 B10R0.6 C=CCCN[C@@H](C)CC(=O)O 1779298be8abb8b92e976d2859b9037c [0,0,0,0,0,1|3,0,0]=4 601 B10R0.6 C=CCCN[C@H](C)CC(=O)O f218325f7743dd87d57e7b59a343737f [0,0,0,0,0,1|3,0,0]=4 602 B10R0.6 C=CCCOC(C)CC(=O)O fbb02c9c03cb7d62b2b5dd8137d636db [0,0,0,0,0,1|3,0,0]=4 603 B10R0.6 C=CCCO[C@@H](C)CC(=O)O 3d048d08049cf41703f7c8e1587622d4 [0,0,0,0,0,1|3,0,0]=4 604 B10R0.6 C=CCCO[C@H](C)CC(=O)O e8f10a2960ea1e2af6f137f5bfdbe2b1 [0,0,0,0,0,1|3,0,0]=4 605 B10R0.6 C=CCNCC(O)CC(=O)O 7a7efd0e4b33dc99b159fa1abd1bd7ba [0,0,0,0,0,1|2,0,0]=3 606 B10R0.6 C=CCNC[C@@H](O)CC(=O)O e20bc22e9057005168f2f26c747cfddf [0,0,0,0,0,1|2,0,0]=3 607 B10R0.6 C=CCNC[C@H](O)CC(=O)O e7d222ed1b7dc2214a2f5c45c41bbe8d [0,0,0,0,0,1|2,0,0]=3 608 B10R0.6 C=CCOCC(C)NC(=O)C 0a58b17c31de8da11eba469eb9dbd2e3 [0,0,0,0,0,1|2,1,0]=4 609 B10R0.6 C=CCOC[C@@H](C)NC(=O)C 550987939ad0336094d646f663c0e1fa [0,0,0,0,0,1|2,1,0]=4 610 B10R0.6 O=CCNCC(O)CC(=O)O 6070832e59ee18684b70841f45098cd3 [0,0,0,0,0,1|3,0,0]=4 611 B10R0.6 O=CCNC[C@@H](O)CC(=O)O e3a83ec84e1a6fff2cd7a72a11a93bab [0,0,0,0,0,1|3,0,0]=4 612 B10R0.6 O=CCNC[C@H](O)CC(=O)O d4ee3cf2c58dfa9825eb65ae01e726e4 [0,0,0,0,0,1|3,0,0]=4 613 B7R0.1 C=CCCCNC=O 1cec4421bae4af7df60106eb6ddcfad0 [2,0,0,0,0,0|2,0,0]=4 614 B7R0.1 C=CCCNCC=C ed28868ac318a2b10127bb777ccfd9d8 [2,0,0,0,0,0|2,0,0]=4 615 B7R0.1 C=CCCNCC=O c2b6ae4db4c393ea2eb8af295ed3c4e1 [2,0,0,0,0,0|2,0,0]=4 616 B7R0.1 C=CCCOCC=C 939c1a141ebeb73d6fcd232d33a4a17c [2,0,0,0,0,0|1,1,0]=4 617 B7R0.1 C=CCCOCC=O 6dd80ffa9b8242d7dabff7bfee08f19c [2,0,0,0,0,0|2,0,0]=4 618 B7R0.1 C=CCNCCCO aa8bb641288fa90753fbda311da1a40c [2,0,0,0,0,0|1,0,1]=4 619 B7R0.1 C=CCOCCC=O cc02b0802c9074f33779663465b59ae3 [2,0,0,0,0,0|0,1,0]=3 620 B7R0.1 O=CCCOCC=O 8abc222377ef79acc62e6e971cef3b5b [2,0,0,0,0,0|1,1,0]=4 621 B7R0.3 C=CCCN(C)C=O adf6557a42cae72b9ac47eaa39c6c3f7 [2,0,0,0,0,0|2,0,0]=4 622 B7R0.3 C=CCOC(C)C=O 6657ba082e9c102df1bd1e051b83669e [2,0,0,0,0,0|1,1,0]=4 623 B7R0.4 C=CCCNC(=O)C 479f81177c8b7d1f361bf6380aad1391 [2,0,0,0,0,0|2,0,0]=4 624 B7R0.4 C=CCNCC(=O)C c379877cdd29970c778896dc66ad00a6 [2,0,0,0,0,0|2,0,0]=4 625 B7R0.4 C=CCNCC(=O)N 4c9ed8797e68589a4063017023a51a00 [2,0,0,0,0,0|1,0,1]=4 626 B7R0.4 C=CCNCC(=O)O 6133d6411223a422a790fc62a49552d6 [2,0,0,0,0,0|1,0,0]=3 627 B7R0.4 C=CCNCC(C)O dde411813044e811a6123a529ae27585 [2,0,0,0,0,0|2,0,0]=4 628 B7R0.4 C=CCNC[C@@H](C)O ec4536a6022457f632f6d265caa69d4d [2,0,0,0,0,0|2,0,0]=4 629 B7R0.4 C=CCNC[C@H](C)O 42afe3d5f35955757d07afc6e0f5adfa [2,0,0,0,0,0|2,0,0]=4 630 B7R0.4 C=CCOCC(=O)C 6cc60c3b69d2e2990673da8a49479ff3 [2,0,0,0,0,0|1,1,0]=4 631 B7R0.4 C=CCOCC(=O)N 827d4ca2bb9539e8def9891e687c2849 [2,0,0,0,0,0|0,1,1]=4 632 B7R0.4 C=CCOCC(=O)O 7136a2a50022493c85115a32aa055df0 [2,0,0,0,0,0|0,1,0]=3 633 B7R0.4 C=CCOCS(=O)O a1ef4061d59bf78682bff1f70f194383 [2,0,0,0,0,0|1,1,0]=4 634 B7R0.4 CCNCCC(=O)O 88c0515bc1747e6ea081f59eb14f48f3 [2,0,0,0,0,0|1,0,1]=4 635 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [2,0,0,0,0,0|0,1,1]=4 636 B7R0.4 O=C(O)CCNCF 05f9560a9c5090f2158d127e76253bb5 [2,0,0,0,0,0|2,0,0]=4 637 B7R0.4 O=C(O)CCNCO 4eda81a5ddb9ef19630be70331f35e71 [2,0,0,0,0,0|2,0,0]=4 638 B7R0.4 O=C(O)CCOCF 47a2f1a64d70f1fd70ee05dd145bf666 [2,0,0,0,0,0|1,1,0]=4 639 B7R0.4 O=CCNCC(=O)O 08ed280de66551066677a6ffd3df2c93 [2,0,0,0,0,0|2,0,0]=4 640 B7R0.4 O=CCOCC(=O)O af4627a358303a05a36059ce17b001ba [2,0,0,0,0,0|1,1,0]=4 641 B9R0.20 C=CCOCC(C)(C)C=O 14a82d3ff81b868d329cb58e0f843d0a [1,1,0,0,0,0|1,1,0]=4 642 B9R0.46 C=CCCCNC(C)C=O 59c0c92674c55399647b0ed64c79283b [1,1,0,0,0,0|2,0,0]=4 643 B9R0.46 C=CCCCN[C@H](C)C=O 2828f177481a652fa86431be78bfb98a [1,1,0,0,0,0|2,0,0]=4 644 B9R0.46 C=CCCCOC(C)C=O 0d3b57c48d11263bb29fbe3d1711e4f6 [1,1,0,0,0,0|2,0,0]=4 645 B9R0.46 C=CCCCO[C@H](C)C=O 9bcfd1d4d3f44a169a8584e77cafa925 [1,1,0,0,0,0|2,0,0]=4 646 B9R0.2 C/C=C/CCOCC(=O)O d02eb75e5aadfb9961c8467e0504d028 [1,1,0,0,0,0|2,0,0]=4 647 B9R0.2 C/C=C/CNCCC(=O)N 2c66c5b06aebbc0554671340b76b821f [1,1,0,0,0,0|2,0,0]=4 648 B9R0.2 C/C=C/CNCCC(=O)O 320ccfadee70343ec534463874adee9c [1,1,0,0,0,0|1,0,0]=3 649 B9R0.2 C/C=C/CNCCS(=O)O d88302a45905a749b1c62df3b0b218da [1,1,0,0,0,0|2,0,0]=4 650 B9R0.2 C/C=C/COCCC(=O)C 858ea95d33d428d48407fa618083ad57 [1,1,0,0,0,0|1,1,0]=4 651 B9R0.2 C/C=C/COCCC(=O)N 9f1ef4b90fcdbe460fd864847b4fb003 [1,1,0,0,0,0|1,1,0]=4 652 B9R0.2 C/C=C/COCCC(=O)O de4483f9043c4323aa635f969181027c [1,1,0,0,0,0|0,1,0]=3 653 B9R0.2 C/C=C\CNCCC(=O)N d1ba06ad775bc882fa1fc61022310a26 [1,1,0,0,0,0|2,0,0]=4 654 B9R0.2 C/C=C\CNCCC(=O)O 3db27db0f3bf53817103cf733a337082 [1,1,0,0,0,0|1,0,0]=3 655 B9R0.2 C/C=C\CNCCS(=O)O b563b810dc1a25926eca1b23efe9707e [1,1,0,0,0,0|2,0,0]=4 656 B9R0.2 C/C=C\COCCC(=O)C 2a3ddac5ad4ddb2079c9ab12180deff2 [1,1,0,0,0,0|1,1,0]=4 657 B9R0.2 C/C=C\COCCC(=O)N 2f6e28aba292265c8dfbc55d4ac756f7 [1,1,0,0,0,0|1,1,0]=4 658 B9R0.2 C/C=C\COCCC(=O)O 77884cf4196c6ee578ac2dc56b34854b [1,1,0,0,0,0|0,1,0]=3 659 B9R0.2 C=C=CCCOCC(=O)O 3d2f778bfede470814833932641b8dd6 [1,1,0,0,0,0|2,0,0]=4 660 B9R0.2 C=CCCCCNC(=O)C e363a045dea279ada86c2460a8f9bcff [1,1,0,0,0,0|2,0,0]=4 661 B9R0.2 C=CCCCNCC(=O)C 6f9860b69421ae53f4aa8aab3f88206c [1,1,0,0,0,0|2,0,0]=4 662 B9R0.2 C=CCCCNCC(=O)N 8c050bcb16397c545676f8ccaf3ff612 [1,1,0,0,0,0|2,0,0]=4 663 B9R0.2 C=CCCCNCC(=O)O a6a74f703c15b040a944f1de5b7b31dd [1,1,0,0,0,0|1,0,0]=3 664 B9R0.2 C=CCCCOCC(=O)C d117c37583b469359d4bb73ae405c58e [1,1,0,0,0,0|2,0,0]=4 665 B9R0.2 C=CCCCOCC(=O)N a71db548756a9d786302c30982c036e5 [1,1,0,0,0,0|2,0,0]=4 666 B9R0.2 C=CCCCOCC(=O)O 1c361a5699eb9366896dc4e13da269f8 [1,1,0,0,0,0|1,0,0]=3 667 B9R0.2 C=CCCCOCS(=O)O c9d562aa38377771bc1c2a1e6304d1e4 [1,1,0,0,0,0|2,0,0]=4 668 B9R0.2 C=CCCNCCC(=O)C 931becbc31ffa1a17243333f7bced09b [1,1,0,0,0,0|2,0,0]=4 669 B9R0.2 C=CCCNCCC(=O)N 185ea1dfba44894df83c1b20bfe59e67 [1,1,0,0,0,0|2,0,0]=4 670 B9R0.2 C=CCCNCCC(=O)O 6eb4f7dd1144c7fedf5fea8b2859a1ee [1,1,0,0,0,0|1,0,0]=3 671 B9R0.2 C=CCCNCCS(=O)O d396b92b845845b863daeac25bb9a091 [1,1,0,0,0,0|2,0,0]=4 672 B9R0.2 C=CCCOCCC(=O)C 132546dab84893072980505fc0c16835 [1,1,0,0,0,0|1,1,0]=4 673 B9R0.2 C=CCCOCCC(=O)N aee188e7bbb14f2cdec6e6f3ddb9e064 [1,1,0,0,0,0|1,1,0]=4 674 B9R0.2 C=CCCOCCC(=O)O 4d70a4bce8840eff55803b219a083b32 [1,1,0,0,0,0|0,1,0]=3 675 B9R0.2 C=CCNC/C=C/C(=O)O 636992344ad4cc5c0805bc5588e83c40 [1,1,0,0,0,0|1,0,1]=4 676 B9R0.2 C=CCNCC#CC(=O)O d0fa4e14b8caa93906b48dd9438061b3 [1,1,0,0,0,0|1,0,1]=4 677 B9R0.2 C=CCNCC=CC(=O)O 6366a056fc5f421ff29841bcd01bc941 [1,1,0,0,0,0|1,0,1]=4 678 B9R0.2 C=CCNCCCC(=O)N d7d54590933421a302fe06ba923c08bd [1,1,0,0,0,0|2,0,0]=4 679 B9R0.2 C=CCNCCCC(=O)O 524c2ab7faae5f35e54c1740aff30774 [1,1,0,0,0,0|1,0,0]=3 680 B9R0.2 C=CCNCCNC(=O)C c42155b1cb479e87c905460fc595ad3c [1,1,0,0,0,0|2,0,0]=4 681 B9R0.2 C=CCOC/C=C/C(=O)O 1f8cd64a72cdcfc5032c523eb9c51e0c [1,1,0,0,0,0|0,1,1]=4 682 B9R0.2 C=CCOCC#CC(=O)O 91dd2415be61ce52a2228c796965255c [1,1,0,0,0,0|0,1,1]=4 683 B9R0.2 C=CCOCC=CC(=O)O ee8389b68c24cebb495b0c3b85f03986 [1,1,0,0,0,0|0,1,1]=4 684 B9R0.2 C=CCOCCCC(=O)C 7c50ee2dd017285f672ea091a47723d2 [1,1,0,0,0,0|1,1,0]=4 685 B9R0.2 C=CCOCCCC(=O)N c9f1b7b97de59f816cade2621052d370 [1,1,0,0,0,0|1,1,0]=4 686 B9R0.2 C=CCOCCNC(=O)C a53ca486da172a5bf65bca1009789a59 [1,1,0,0,0,0|1,1,0]=4 687 B9R0.2 C=CCOCCNC(=O)N 465de225163de399654524066e987490 [1,1,0,0,0,0|1,1,0]=4 688 B9R0.2 C=CCOCCOC(=O)C b8c209519513104470d81d0ada77afd3 [1,1,0,0,0,0|1,1,0]=4 689 B9R0.2 C=COCCNCC(=O)O 8e73f67ff3897e4f73503772783dce81 [1,1,0,0,0,0|2,0,0]=4 690 B9R0.2 C=COCCOCC(=O)O 811f84f15057d7b4da539ff618db8abc [1,1,0,0,0,0|2,0,0]=4 691 B9R0.2 CC(=O)CCOC/C=C/Cl 3b7fc37c2aed6eee86fb8911e269fbb2 [1,1,0,0,0,0|1,1,0]=4 692 B9R0.2 CC(=O)CCOC/C=C\Cl eea620401ac1e1e324e3a532e9399043 [1,1,0,0,0,0|1,1,0]=4 693 B9R0.2 CC(=O)CCOCC=CCl 73178857dcc91ddbfb9e30b832de19a9 [1,1,0,0,0,0|1,1,0]=4 694 B9R0.2 CC=CCNCCC(=O)C 35fd160582ff98ad73df55f025e71a01 [1,1,0,0,0,0|2,0,0]=4 695 B9R0.2 CC=CCNCCC(=O)N cf9f0a2d0106defcb5146d803c4dc168 [1,1,0,0,0,0|2,0,0]=4 696 B9R0.2 CC=CCNCCC(=O)O 5c13e7fcfabbe27240aa9f1486a09b86 [1,1,0,0,0,0|1,0,0]=3 697 B9R0.2 CC=CCOCCC(=O)C 443b60d752a4c425d5fcb35df4bd4e1f [1,1,0,0,0,0|1,1,0]=4 698 B9R0.2 CC=CCOCCC(=O)N d78c99ebbe8ef49cc4ff16be18b2d3f9 [1,1,0,0,0,0|1,1,0]=4 699 B9R0.2 CC=CCOCCC(=O)O 34847ee459642c229d44db8cb0176d10 [1,1,0,0,0,0|0,1,0]=3 700 B9R0.2 NC(=O)CCNC/C=C/Cl 97ecb86b22ed37d60fc9b5bb75dabe09 [1,1,0,0,0,0|2,0,0]=4 701 B9R0.2 NC(=O)CCNC/C=C\Cl de57434b9543095288856016795d1d46 [1,1,0,0,0,0|2,0,0]=4 702 B9R0.2 NC(=O)CCNC/C=C\O 6d3289530c4f153e8d604e443bd28edc [1,1,0,0,0,0|2,0,0]=4 703 B9R0.2 NC(=O)CCOC/C=C/Cl 8656cc11d77737a8d755bb1a048bb528 [1,1,0,0,0,0|1,1,0]=4 704 B9R0.2 NC(=O)CCOC/C=C\Cl f655806da67a38d1af97bed22e411730 [1,1,0,0,0,0|1,1,0]=4 705 B9R0.2 NC(=O)CCOCC=CCl bfe13f48e6cf5df83948f32e2b8a23d8 [1,1,0,0,0,0|1,1,0]=4 706 B9R0.2 O=C(O)CCNC/C=C/Cl 5d212c009cbd6e0333406b94db80def8 [1,1,0,0,0,0|1,0,0]=3 707 B9R0.2 O=C(O)CCNC/C=C\Cl 2ed01caa28591236085182ea8dcca007 [1,1,0,0,0,0|1,0,0]=3 708 B9R0.2 O=C(O)CCNC/C=C\O cc7c46dff9df63934b5a7f5ec4dd9c26 [1,1,0,0,0,0|1,0,0]=3 709 B9R0.2 O=C(O)CCOC/C=C/Cl 2abbf4f0a2f661f4f26a27c9c78f4901 [1,1,0,0,0,0|0,1,0]=3 710 B9R0.2 O=C(O)CCOC/C=C\Cl df258de9bfd0d6613f70e3f829bf6607 [1,1,0,0,0,0|0,1,0]=3 711 B9R0.2 O=C(O)CCOCC=CCl 37717d633b95d88c1da7144f16178a4e [1,1,0,0,0,0|0,1,0]=3 712 B9R0.2 O=CCCCNCC(=O)O 00744a469b104f3f873a6267c7e8ee73 [1,1,0,0,0,0|2,0,0]=4 713 B9R0.2 O=CCCCOCC(=O)O b0cdc41918441c731c2718b00d81dcd2 [1,1,0,0,0,0|2,0,0]=4 714 B9R0.2 O=CCCNCCC(=O)O 65f36927815c9ad4e958ab911ae7459a [1,1,0,0,0,0|1,0,1]=4 715 B9R0.2 O=CCCOCCC(=O)O c361370d412c815155a03ec5c084d013 [1,1,0,0,0,0|0,1,1]=4 716 B9R0.2 O=CCNCCCC(=O)O b0fd6156dd240d44b8433e7a48df34bb [1,1,0,0,0,0|2,0,0]=4 717 B9R0.2 O=S(O)CCNC/C=C/Cl bfa9db628836da3c45b3aaa587e03eee [1,1,0,0,0,0|2,0,0]=4 718 B9R0.2 O=S(O)CCNC/C=C\Cl a00db550db3840503fb81569befd66d5 [1,1,0,0,0,0|2,0,0]=4 719 B9R0.2 O=S(O)CCNC/C=C\O 9ebd95a8cc1950b38af1cd935b87a493 [1,1,0,0,0,0|2,0,0]=4 720 B9R0.4 C=CCCN(C)CC(=O)O c45dddea24cad7bcd2fe878b0aa2a882 [1,1,0,0,0,0|2,0,0]=4 721 B9R0.4 C=CCNC(C)CC(=O)O 6ae10b64077133545f3d91156e398a8c [1,1,0,0,0,0|1,0,0]=3 722 B9R0.4 C=CCN[C@@H](C)CC(=O)O e24fbde4dfaa347b67a58faa90e875fd [1,1,0,0,0,0|1,0,0]=3 723 B9R0.4 C=CCN[C@H](C)CC(=O)O 68d1d33710689e20c468e0a1bf3fde2f [1,1,0,0,0,0|1,0,0]=3 724 B9R0.4 C=CCOC(C)CC(=O)N 672a9e5f9e0304cb67614996d46bff59 [1,1,0,0,0,0|1,1,0]=4 725 B9R0.4 C=CCOC(C)CC(=O)O 6aa6c0b2ae081456bfb4b15bc98ff0b4 [1,1,0,0,0,0|0,1,0]=3 726 B9R0.4 C=CCO[C@@H](C)CC(=O)O 2f3de0688fccb90592132bae9389e4e8 [1,1,0,0,0,0|0,1,0]=3 727 B9R0.4 C=CCO[C@H](C)CC(=O)O 82558ab3b4b44d284dc8a385450a58eb [1,1,0,0,0,0|0,1,0]=3 728 B9R0.4 CC(CC(=O)O)NCC=O 0b9db54dda8ed6cd9b17284ce8476910 [1,1,0,0,0,0|2,0,0]=4 729 B9R0.4 CC(CC(=O)O)OCC=O 9fd72e4383abedaf34b13def7c8a057b [1,1,0,0,0,0|1,1,0]=4 730 B9R0.4 C[C@@H](CC(=O)O)NCC=O 61f815c552e042769d4d4f90edfce438 [1,1,0,0,0,0|2,0,0]=4 731 B9R0.4 C[C@@H](CC(=O)O)OCC=O afad9ddae2004cc03830c79908d592c0 [1,1,0,0,0,0|1,1,0]=4 732 B9R0.4 C[C@H](CC(=O)O)NCC=O 8ad60e5c3f750e74022ec085d11788c1 [1,1,0,0,0,0|2,0,0]=4 733 B9R0.4 C[C@H](CC(=O)O)OCC=O 5898615cb0e02bab189a5a3da6d20aec [1,1,0,0,0,0|1,1,0]=4 734 B9R0.38 C=CCNCCS(=O)(=O)O 1b11cd206b5410a0e3bff4be9c4cb0da [1,1,0,0,0,0|2,0,0]=4 735 B9R0.38 C=CCOCCS(=O)(=O)O 40c552299511997fb722363a6bb106c3 [1,1,0,0,0,0|1,1,0]=4 736 B9R0.48 C=CCC(C)OCC(=O)O d4c2db20e21f45057095c6dd9b09bcfe [1,1,0,0,0,0|2,0,0]=4 737 B9R0.48 C=CCN(C)CCC(=O)C 942bc8a400e1b9da00c1ec7d56004de6 [1,1,0,0,0,0|2,0,0]=4 738 B9R0.48 C=CCN(C)CCC(=O)N 07642a8517d71873da975b6e3cda5e5e [1,1,0,0,0,0|2,0,0]=4 739 B9R0.48 C=CCN(C)CCC(=O)O 85c31c0123bc751a9540d6f16d5ab7f5 [1,1,0,0,0,0|1,0,0]=3 740 B9R0.48 C=CC[C@@H](C)OCC(=O)O e1ec2ca024444d722f0b6bd34535e0cd [1,1,0,0,0,0|2,0,0]=4 741 B9R0.48 C=CC[C@H](C)OCC(=O)O 6ea8726abd2765890e4fcb26b01386e0 [1,1,0,0,0,0|2,0,0]=4 742 B9R0.48 CN(CC=O)CCC(=O)O c2208c5f20eb019e9eb30d465cfc143b [1,1,0,0,0,0|2,0,0]=4 743 B9R0.55 C=C(Br)CCOCC(=O)O a9e36997fe5836e0f9241f25906160f7 [1,1,0,0,0,0|2,0,0]=4 744 B9R0.55 C=C(Br)CNCCC(=O)C 39822f5384ade9c78a7520db0c659c30 [1,1,0,0,0,0|2,0,0]=4 745 B9R0.55 C=C(Br)CNCCC(=O)N df9496684a89dd9bf4a07a4b0092a1c2 [1,1,0,0,0,0|2,0,0]=4 746 B9R0.55 C=C(Br)CNCCC(=O)O 24d418da2c74050d4e807f3cdc1c65d8 [1,1,0,0,0,0|1,0,0]=3 747 B9R0.55 C=C(Br)CNCCS(=O)O 2d33e204041cac91ec899a513cfb84f7 [1,1,0,0,0,0|2,0,0]=4 748 B9R0.55 C=C(Br)COCCC(=O)C 3de7a9d2be91571b091b9406e173ccef [1,1,0,0,0,0|1,1,0]=4 749 B9R0.55 C=C(Br)COCCC(=O)N 1dfd089a3d8827e18964c64fbe54a046 [1,1,0,0,0,0|1,1,0]=4 750 B9R0.55 C=C(Br)COCCC(=O)O fa101352e435d76fadec151481d8b4d9 [1,1,0,0,0,0|0,1,0]=3 751 B9R0.55 C=C(C)CCNCC(=O)O 14f79230f366d4f53483d592ca1209f4 [1,1,0,0,0,0|2,0,0]=4 752 B9R0.55 C=C(C)CCOCC(=O)O d511df34cdc214eb72cb2dd39c037f73 [1,1,0,0,0,0|2,0,0]=4 753 B9R0.55 C=C(C)CNCCC(=O)C 8f02e27a7c607dfc1a5bc61e972fbe37 [1,1,0,0,0,0|2,0,0]=4 754 B9R0.55 C=C(C)CNCCC(=O)N 2b98860e45e58e139d93177c6c6c578a [1,1,0,0,0,0|2,0,0]=4 755 B9R0.55 C=C(C)CNCCC(=O)O c94702ac8441eb8e035c8c88a218653b [1,1,0,0,0,0|1,0,0]=3 756 B9R0.55 C=C(C)CNCCS(=O)O be713806f813a34f6e21929145611649 [1,1,0,0,0,0|2,0,0]=4 757 B9R0.55 C=C(C)COCCC(=O)C 70cdb13dc4d6f031583b0aab7b94bdad [1,1,0,0,0,0|1,1,0]=4 758 B9R0.55 C=C(C)COCCC(=O)N 2711f42315610cfc7376cfa714d91ab6 [1,1,0,0,0,0|1,1,0]=4 759 B9R0.55 C=C(C)COCCC(=O)O e23f99666316477d86f1528d4f6e582f [1,1,0,0,0,0|0,1,0]=3 760 B9R0.55 C=C(Cl)CNCCC(=O)N 93697431177f7d1d3d8754b3eed927e7 [1,1,0,0,0,0|2,0,0]=4 761 B9R0.55 C=C(Cl)CNCCC(=O)O d7a8796dbf447df8169b63ab3acf3abc [1,1,0,0,0,0|1,0,0]=3 762 B9R0.55 C=C(Cl)CNCCS(=O)O d622984190ba7a88bc7cab790bfe0eaa [1,1,0,0,0,0|2,0,0]=4 763 B9R0.55 C=C(Cl)COCCC(=O)C 1d0a6b94806f8a7aaa04bfb13a539cc6 [1,1,0,0,0,0|1,1,0]=4 764 B9R0.55 C=C(Cl)COCCC(=O)N fcd345abd77b415ad4565155dc2be060 [1,1,0,0,0,0|1,1,0]=4 765 B9R0.55 C=C(Cl)COCCC(=O)O 7e4609936e0015efd3cbad5e831ce239 [1,1,0,0,0,0|0,1,0]=3 766 B9R0.55 C=C(F)CNCCC(=O)N 3e56630644b7a2239b52decce5677c53 [1,1,0,0,0,0|2,0,0]=4 767 B9R0.55 C=C(F)CNCCC(=O)O 0aeb2472ea35931086b539b89b183be7 [1,1,0,0,0,0|1,0,0]=3 768 B9R0.55 C=C(F)CNCCS(=O)O a36d689636ae67b1a1524ade05e92469 [1,1,0,0,0,0|2,0,0]=4 769 B9R0.55 C=C(F)COCCC(=O)C 14c6148d706193f8e2872ddcaa3c4b51 [1,1,0,0,0,0|1,1,0]=4 770 B9R0.55 C=C(F)COCCC(=O)N 91e7fe313ab7e7b2424d4436a86abfb3 [1,1,0,0,0,0|1,1,0]=4 771 B9R0.55 C=C(F)COCCC(=O)O e2dfc5b0ed80dc98b9e248c432aacba3 [1,1,0,0,0,0|0,1,0]=3 772 B9R0.55 C=C(I)COCCC(=O)C 042142a0d1d4ddb0dd2365906a1b7a4b [1,1,0,0,0,0|1,1,0]=4 773 B9R0.55 C=C(I)COCCC(=O)N 87fffae4e1603df1adfff53627b83cce [1,1,0,0,0,0|1,1,0]=4 774 B9R0.55 C=C(I)COCCC(=O)O 3a5c69e24d6ce770f5447a1d28609b12 [1,1,0,0,0,0|0,1,0]=3 775 B9R0.55 CC(=O)CNCCC(=O)O f7e1177d8b3728ece360d0f60d2f3d30 [1,1,0,0,0,0|1,0,1]=4 776 B9R0.55 CC(=O)COCCC(=O)O 9181529c791e851b859a70ea035f0690 [1,1,0,0,0,0|0,1,1]=4 777 B9R0.55 NC(=O)CNCCC(=O)O 2ba606c8f6665fb6dce79962b1dc62fe [1,1,0,0,0,0|2,0,0]=4 778 B9R0.55 NC(=O)COCCC(=O)O 5888c606ee8d1d7646cca4bfa757c6be [1,1,0,0,0,0|1,1,0]=4 779 B9R0.55 NC(=S)COCCC(=O)O ebe51905059637175c84868e10b683b2 [1,1,0,0,0,0|1,1,0]=4 780 B9R0.55 O=C(O)CCNCC(=O)O 43f65cc1fd2997c2e3d09ce76b5140c2 [1,1,0,0,0,0|2,0,0]=4 781 B9R0.55 O=C(O)CCOCC(=O)O 4d49b71bab3c022809a84bb2137ebcf3 [1,1,0,0,0,0|1,1,0]=4 782 B9R0.6 C=CCN(C)C(C)C(=O)O f6b2c3ab8b402a6878286b05dfc5fd3e [1,1,0,0,0,0|2,0,0]=4 783 B9R0.6 C=CCN(C)C(F)C(=O)O ab7a74ec0ddb69d787bf6b8dfef0e9ee [1,1,0,0,0,0|2,0,0]=4 784 B9R0.6 C=CCN(C)[C@@H](C)C(=O)O 1741857d459e250d6c8b9c98af2739eb [1,1,0,0,0,0|2,0,0]=4 785 B9R0.6 C=CCN(C)[C@@H](F)C(=O)O 6d6fc63e5762305ad41a64197462de3f [1,1,0,0,0,0|2,0,0]=4 786 B9R0.6 C=CCN(C)[C@H](C)C(=O)O 715529504fd342c238b40582e484fd03 [1,1,0,0,0,0|2,0,0]=4 787 B9R0.7 C=C(Br)CNC(C)C(=O)O 4b4b833b0923408e022a05775b239322 [1,1,0,0,0,0|2,0,0]=4 788 B9R0.7 C=C(Br)CNC(O)C(=O)O 2b46230f8f2eb6f3ae5bb80abde56ea4 [1,1,0,0,0,0|2,0,0]=4 789 B9R0.7 C=C(Br)CN[C@@H](C)C(=O)O c90358467ea0b56e6c191c6df9f74b1f [1,1,0,0,0,0|2,0,0]=4 790 B9R0.7 C=C(Br)CN[C@H](C)C(=O)O d8adcc4e0215fdbc5391473a8aa71ebc [1,1,0,0,0,0|2,0,0]=4 791 B9R0.7 C=C(C)CNC(C)C(=O)O 71c7739e8b991e4abf0435840a700d0a [1,1,0,0,0,0|2,0,0]=4 792 B9R0.7 C=C(C)CNC(O)C(=O)O 94b0a208e5c50adf06a4627f23c6b8af [1,1,0,0,0,0|2,0,0]=4 793 B9R0.7 C=C(C)CN[C@@H](C)C(=O)O e7bfbf33da3040405841b806d36ec309 [1,1,0,0,0,0|2,0,0]=4 794 B9R0.7 C=C(C)CN[C@H](C)C(=O)O cd53bb67574651329e24959a91da937e [1,1,0,0,0,0|2,0,0]=4 795 B9R0.7 C=C(C)COC(C)C(=O)O ed04993e273c116d7e5f18b49ab43ad1 [1,1,0,0,0,0|1,1,0]=4 796 B9R0.7 C=C(C)CO[C@@H](C)C(=O)O a50f171d31d69d7b32f91370f5a6fc24 [1,1,0,0,0,0|1,1,0]=4 797 B9R0.7 C=C(C)CO[C@H](C)C(=O)O c708914884c2538adc7cf2cddac67a9b [1,1,0,0,0,0|1,1,0]=4 798 B9R0.7 C=C(Cl)CNC(C)C(=O)O 02718e80e93fe98eb1ff5478307d6c36 [1,1,0,0,0,0|2,0,0]=4 799 B9R0.7 C=C(Cl)CNC(O)C(=O)O 45c573a0278d95c52970c36ba147177f [1,1,0,0,0,0|2,0,0]=4 800 B9R0.7 C=C(Cl)CN[C@@H](C)C(=O)O 37f8e6538c7ee1a3cbee956899fb12c5 [1,1,0,0,0,0|2,0,0]=4 801 B9R0.7 C=C(Cl)CN[C@H](C)C(=O)O 42e250ec14ba01035d59dbf8319004fa [1,1,0,0,0,0|2,0,0]=4 802 B9R0.7 C=C(Cl)COC(C)C(=O)O 26f257e38ca3714915ce59cd8bb66d72 [1,1,0,0,0,0|1,1,0]=4 803 B9R0.7 C=C(Cl)CO[C@@H](C)C(=O)O 995e458269b8e2aae8fa9540c89458c7 [1,1,0,0,0,0|1,1,0]=4 804 B9R0.7 C=C(Cl)CO[C@H](C)C(=O)O a0d5dabcab99774054f62d770ba3fbae [1,1,0,0,0,0|1,1,0]=4 805 B9R0.7 C=C(F)CNC(C)C(=O)O 5561b129a7713849bedffff3fa68eced [1,1,0,0,0,0|2,0,0]=4 806 B9R0.7 C=C(F)CNC(O)C(=O)O e9bfcfac9d1bdc85a515e0ebd8b4d7d8 [1,1,0,0,0,0|2,0,0]=4 807 B9R0.7 C=C(F)CN[C@@H](C)C(=O)O 0d1198cdf44620e161e507566e03c846 [1,1,0,0,0,0|2,0,0]=4 808 B9R0.7 C=C(F)CN[C@H](C)C(=O)O 2d73552c9ce59fea30b19426f027d96b [1,1,0,0,0,0|2,0,0]=4 809 B9R0.13 C#CC(OCC=C)C(=O)O b723a6cd42a7bd1594bfb45f8e323d35 [1,1,0,0,0,0|1,1,0]=4 810 B9R0.13 C=CCNC(C=C)C(=O)O 3c146582fe4d02d83bcbf2879e10a0d7 [1,1,0,0,0,0|2,0,0]=4 811 B9R0.13 C=CCNC(CC)C(=O)O de481e2466eaff6f0a27732f6dfc352c [1,1,0,0,0,0|2,0,0]=4 812 B9R0.13 C=CCNC(CCl)C(=O)O 51d569ab421a7c730ad7e561c39f69e0 [1,1,0,0,0,0|2,0,0]=4 813 B9R0.13 C=CCNC(CF)C(=O)O 97345d50ac0f4b1a6a6d8829153c5052 [1,1,0,0,0,0|2,0,0]=4 814 B9R0.13 C=CCNC(CO)C(=O)O ebd5ac6e6c53346c54b338bece00fb23 [1,1,0,0,0,0|2,0,0]=4 815 B9R0.13 C=CCNC(CS)C(=O)O b4129a0343234a5d5329e18d3c102a77 [1,1,0,0,0,0|2,0,0]=4 816 B9R0.13 C=CCN[C@@H](C=C)C(=O)O a410b35a2e2e9a94678cdf08be8f238e [1,1,0,0,0,0|2,0,0]=4 817 B9R0.13 C=CCN[C@@H](CC)C(=O)O f74085695e69590e183acfa0aa7f80ba [1,1,0,0,0,0|2,0,0]=4 818 B9R0.13 C=CCN[C@@H](CCl)C(=O)O 9b5b719bda2bc91c4b4b7e7c9187da1d [1,1,0,0,0,0|2,0,0]=4 819 B9R0.13 C=CCN[C@@H](CO)C(=O)O b29aca030e09865f65325baf1c255358 [1,1,0,0,0,0|2,0,0]=4 820 B9R0.13 C=CCN[C@@H](CS)C(=O)O 36ae2e4970c8d105a6d95b29eb80d440 [1,1,0,0,0,0|2,0,0]=4 821 B9R0.13 C=CCN[C@H](CC)C(=O)O 7c854a9c251bf6bc5a5bfa1dcc576f30 [1,1,0,0,0,0|2,0,0]=4 822 B9R0.13 C=CCN[C@H](CCl)C(=O)O 083db315671b359169888092e2d4fd21 [1,1,0,0,0,0|2,0,0]=4 823 B9R0.13 C=CCN[C@H](CO)C(=O)O 1cf51ca28fd4c1d8fb4c1e05f8afb943 [1,1,0,0,0,0|2,0,0]=4 824 B9R0.13 C=CCN[C@H](CS)C(=O)O edfcc72971c264a736a8fb5f40c3ca0d [1,1,0,0,0,0|2,0,0]=4 825 B9R0.13 C=CCOC(CC)C(=O)O 12409b9eb4eba52a2e88ae57af39313b [1,1,0,0,0,0|1,1,0]=4 826 B9R0.13 C=CCO[C@@H](CC)C(=O)O c4783edc56f8b5c2c19ad9c9b07b9c02 [1,1,0,0,0,0|1,1,0]=4 827 B9R0.13 C=CCO[C@H](CC)C(=O)O 70a5ce7549ed58c5a9a74e77d4d2f7d4 [1,1,0,0,0,0|1,1,0]=4 828 B9R0.13 C=CCO[C@H](CF)C(=O)O 5385b95a414979d84d7f63e5f835f858 [1,1,0,0,0,0|1,1,0]=4 829 B9R0.42 C=CC(C)NC(C)C(=O)O a21c364ebf806c0b489514351780d545 [1,1,0,0,0,0|2,0,0]=4 830 B9R0.42 C=CC(C)NC(F)C(=O)O 1eccd6464ff529fb4db555016f5871dd [1,1,0,0,0,0|2,0,0]=4 831 B9R0.42 C=CC(C)NC(O)C(=O)O fa689c4ff06c77f4ca819c8817c7139e [1,1,0,0,0,0|2,0,0]=4 832 B9R0.42 C=CC(C)N[C@@H](C)C(=O)O e755310822c45c5c0e8f3967eb2f796d [1,1,0,0,0,0|2,0,0]=4 833 B9R0.42 C=CC(C)N[C@@H](F)C(=O)O f8ccfdc02c2ecebd328c5bb049755359 [1,1,0,0,0,0|2,0,0]=4 834 B9R0.42 C=CC(C)N[C@H](C)C(=O)O 531b54e5cb86764563ede07ae1e5c672 [1,1,0,0,0,0|2,0,0]=4 835 B9R0.42 C=CC(C)OC(C)C(=O)O 7ad7bfd5d12674284fda7343264d4010 [1,1,0,0,0,0|1,1,0]=4 836 B9R0.42 C=CC(C)OC(F)C(=O)O dc858461fd4448cf8bafbd4c16ac84b1 [1,1,0,0,0,0|1,1,0]=4 837 B9R0.42 C=CC(C)O[C@@H](C)C(=O)O bb2c583a8ab947fc145c650372492f42 [1,1,0,0,0,0|1,1,0]=4 838 B9R0.42 C=CC(C)O[C@@H](F)C(=O)O 2e5245a940b4552da584dc02a95df122 [1,1,0,0,0,0|1,1,0]=4 839 B9R0.42 C=CC(C)O[C@H](C)C(=O)O 8e408aefee5f547b572688db27ef4d72 [1,1,0,0,0,0|1,1,0]=4 840 B9R0.42 C=C[C@H](C)OC(C)C(=O)O 8d7835a70ef2a3a42126119cc794479e [1,1,0,0,0,0|1,1,0]=4 841 B9R0.42 C=C[C@H](C)OC(F)C(=O)O 372144629b8237608725934d0fc37d26 [1,1,0,0,0,0|1,1,0]=4 842 B9R0.42 C=C[C@H](C)O[C@@H](C)C(=O)O ff3034ea3182660e3cb7d8fdb64beb78 [1,1,0,0,0,0|1,1,0]=4 843 B9R0.42 C=C[C@H](C)O[C@@H](F)C(=O)O bb3d97d17638185127603f96874124ca [1,1,0,0,0,0|1,1,0]=4 844 B9R0.42 C=C[C@H](C)O[C@H](C)C(=O)O 8c5e3d102a805cdd88a206f50f9ef822 [1,1,0,0,0,0|1,1,0]=4 845 B9R0.51 C=CCNC(C)(C)C(=O)O 7c48e3ec7486216bc064908229fe4a3b [1,1,0,0,0,0|2,0,0]=4 846 B11R0.2 C/C=C/CNCC(O)CC(=O)O b57aec1813c0f10473009e25ecfdcd17 [0,1,0,0,0,1|2,0,0]=4 847 B11R0.2 C/C=C/CNC[C@@H](O)CC(=O)O 6cebfad36bbde9ce27ce4396e3eccddb [0,1,0,0,0,1|2,0,0]=4 848 B11R0.2 C/C=C/CNC[C@H](O)CC(=O)O 4737224d084e11f1d141e277fb13620f [0,1,0,0,0,1|2,0,0]=4 849 B11R0.2 C/C=C\CNCC(O)CC(=O)O 2c760e8130cc7e78ec738cf793ff787f [0,1,0,0,0,1|2,0,0]=4 850 B11R0.2 C/C=C\CNC[C@@H](O)CC(=O)O ae780dc13ce9b71233c4f2537c1f3a6a [0,1,0,0,0,1|2,0,0]=4 851 B11R0.2 C/C=C\CNC[C@H](O)CC(=O)O b44e01d013a74d41f45ca2a7a9734c5f [0,1,0,0,0,1|2,0,0]=4 852 B11R0.2 C=CCCCNC(C)CC(=O)O e88385591f109e5ccb6cd9db4f674a16 [0,1,0,0,0,1|2,0,0]=4 853 B11R0.2 C=CCCCN[C@@H](C)CC(=O)O 6624fe1d528d72bf55f18e827fe5de4c [0,1,0,0,0,1|2,0,0]=4 854 B11R0.2 C=CCCCN[C@H](C)CC(=O)O f81a8d09bbdd109c7b34008d5a7188eb [0,1,0,0,0,1|2,0,0]=4 855 B11R0.2 C=CCCCOC(C)CC(=O)O 7db8181421a3540b64e316ca5fa6d925 [0,1,0,0,0,1|2,0,0]=4 856 B11R0.2 C=CCCCO[C@@H](C)CC(=O)O 9a38c7dbbb0d537b283f2cef8c07b852 [0,1,0,0,0,1|2,0,0]=4 857 B11R0.2 C=CCCCO[C@H](C)CC(=O)O 8f91f1a49776bd2e354d270e3e1aea8b [0,1,0,0,0,1|2,0,0]=4 858 B11R0.2 C=CCCNCC(O)CC(=O)O 7a09c74223ee371fd41a82e413a1814c [0,1,0,0,0,1|2,0,0]=4 859 B11R0.2 C=CCCNC[C@@H](O)CC(=O)O c4eb6b76e60982c2f61532eaa9683327 [0,1,0,0,0,1|2,0,0]=4 860 B11R0.2 C=CCCNC[C@H](O)CC(=O)O 462e57b866cc82513846c0535ffc78fe [0,1,0,0,0,1|2,0,0]=4 861 B11R0.2 O=C(O)CC(O)CNC/C=C/Cl 0a7375cca8964a30ea8f26127136ee75 [0,1,0,0,0,1|2,0,0]=4 862 B11R0.2 O=C(O)CC(O)CNC/C=C\Cl e08565d862e570a2eaef62e22327f75d [0,1,0,0,0,1|2,0,0]=4 863 B11R0.2 O=C(O)CC(O)CNC/C=C\O 457ab81e35265014a0de4201076a9268 [0,1,0,0,0,1|2,0,0]=4 864 B11R0.2 O=C(O)C[C@@H](O)CNC/C=C/Cl 9a1d5b9e062c8e373c19a26b173ea46c [0,1,0,0,0,1|2,0,0]=4 865 B11R0.2 O=C(O)C[C@@H](O)CNC/C=C\Cl 41e0c44e40221441311257b63886ac0c [0,1,0,0,0,1|2,0,0]=4 866 B11R0.2 O=C(O)C[C@@H](O)CNC/C=C\O 9b7c9bb3af9d516aa8e147579da4d0de [0,1,0,0,0,1|2,0,0]=4 867 B11R0.2 O=C(O)C[C@H](O)CNC/C=C/Cl ae20c55250453ec68ae600f1af9af98a [0,1,0,0,0,1|2,0,0]=4 868 B11R0.2 O=C(O)C[C@H](O)CNC/C=C\Cl 5564f44fa7faa0c5c4a8ca03e3beb653 [0,1,0,0,0,1|2,0,0]=4 869 B11R0.2 O=C(O)C[C@H](O)CNC/C=C\O 253f16126988db8724fb2a6864ca22c6 [0,1,0,0,0,1|2,0,0]=4 870 B11R0.6 C=C(Br)CNCC(O)CC(=O)O c6870437c33411fe4b909f8c916717f4 [0,1,0,0,0,1|2,0,0]=4 871 B11R0.6 C=C(Br)CNC[C@@H](O)CC(=O)O 205adb8e9388eb491ac7179d83d5e426 [0,1,0,0,0,1|2,0,0]=4 872 B11R0.6 C=C(Br)CNC[C@H](O)CC(=O)O 97ce2b8f61e898d866c59add516ea93d [0,1,0,0,0,1|2,0,0]=4 873 B11R0.6 C=C(C)CNCC(O)CC(=O)O ea67254c54bb5475dc8a640b8a445b6b [0,1,0,0,0,1|2,0,0]=4 874 B11R0.6 C=C(C)CNC[C@@H](O)CC(=O)O 7e9a16bf747c66c49f958e59c342e175 [0,1,0,0,0,1|2,0,0]=4 875 B11R0.6 C=C(C)CNC[C@H](O)CC(=O)O c10ff8cf00bd20fb911af6a06f22f89a [0,1,0,0,0,1|2,0,0]=4 876 B11R0.6 C=C(Cl)CNCC(O)CC(=O)O 2a0f921d46cf1b430dfc902f470438a1 [0,1,0,0,0,1|2,0,0]=4 877 B11R0.6 C=C(Cl)CNC[C@@H](O)CC(=O)O fdbaa7c2e76436b7947a6bb787d9b35f [0,1,0,0,0,1|2,0,0]=4 878 B11R0.6 C=C(Cl)CNC[C@H](O)CC(=O)O 5b703e0e68c22d0945d92c7eed035b2f [0,1,0,0,0,1|2,0,0]=4 879 B11R0.6 C=C(F)CNCC(O)CC(=O)O f5ff6de94f8309fe3d7276bcd4f0fa41 [0,1,0,0,0,1|2,0,0]=4 880 B11R0.6 C=C(F)CNC[C@@H](O)CC(=O)O b0c635f5bda998b9602ba84e76b1801f 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6122738802386f6b8ee962816753c9b2 [0,2,0,0,0,0|2,0,0]=4 892 B11R0.33 C=C(Cl)CN(C)C[C@H](O)C(=O)O 73185328ecbc2fb35aed03a0ddfb8a7c [0,2,0,0,0,0|2,0,0]=4 893 B11R0.33 C=C(F)CN(C)C[C@H](O)C(=O)O a5f03785e81730af1051d936281d8e71 [0,2,0,0,0,0|2,0,0]=4 894 B11R0.37 C=CCN(C#N)CC(C)C(=O)O eb7ffcbb68f66ceb66d96f6c91a0cfa6 [0,2,0,0,0,0|2,0,0]=4 895 B11R0.37 C=CCN(C#N)CC(O)C(=O)O ff5abf70ed350da01fc4340106be716a [0,2,0,0,0,0|2,0,0]=4 896 B11R0.37 C=CCN(C#N)C[C@H](O)C(=O)O b82615b280239aebc5732958502f4d3c [0,2,0,0,0,0|2,0,0]=4 897 B11R0.117 C=CC(C)N(C)C[C@H](O)C(=O)O 467f57e5036e8867ee71a47bfc0259f5 [0,2,0,0,0,0|2,0,0]=4 898 B11R0.163 C/C=C/CN(C)C[C@H](O)C(=O)O 062992792c7e3b2e6aae7743980e9c2a [0,2,0,0,0,0|2,0,0]=4 899 B11R0.163 C/C=C\CN(C)C[C@H](O)C(=O)O a39fafdd8e31603e632081396e93a93a [0,2,0,0,0,0|2,0,0]=4 900 B11R0.163 C=CCCC(C)NC(C)C(=O)O f9af93963e3e2d83def7cb91e46efd82 [0,2,0,0,0,0|2,0,0]=4 901 B11R0.163 C=CCCC(C)NC(O)C(=O)O 1d600fd3eae9647b81bc0a8625914062 [0,2,0,0,0,0|2,0,0]=4 902 B11R0.163 C=CCCC(C)N[C@@H](C)C(=O)O 843711c408ec0938724f92aaa648f03b [0,2,0,0,0,0|2,0,0]=4 903 B11R0.163 C=CCCC(C)N[C@H](C)C(=O)O da652ba598d907dc630743686b87325c [0,2,0,0,0,0|2,0,0]=4 904 B11R0.163 C=CCCC(C)OC(C)C(=O)O 7220f56847738a689c33ea8428123870 [0,2,0,0,0,0|2,0,0]=4 905 B11R0.163 C=CCCC(C)OC(F)C(=O)O 17b9ea39f59f7ca92d4dcec5258508a5 [0,2,0,0,0,0|2,0,0]=4 906 B11R0.163 C=CCCC(C)O[C@@H](C)C(=O)O 61c7a334d394f3ca2b6b4871b548b00d [0,2,0,0,0,0|2,0,0]=4 907 B11R0.163 C=CCCC(C)O[C@@H](F)C(=O)O daa9a498c0bf28ba27706ae3404db243 [0,2,0,0,0,0|2,0,0]=4 908 B11R0.163 C=CCCC(C)O[C@H](C)C(=O)O cc167ee8be8c1c5bccc5108c345bab38 [0,2,0,0,0,0|2,0,0]=4 909 B11R0.163 C=CCCN(C)CC(C)C(=O)O aa5cd618c5d8ec62a906dc77457fcfa1 [0,2,0,0,0,0|2,0,0]=4 910 B11R0.163 C=CCCN(C)CC(O)C(=O)O afb21dbd8a2efd12b79dcc9a4f37d6fb [0,2,0,0,0,0|2,0,0]=4 911 B11R0.163 C=CCCN(C)C[C@H](O)C(=O)O 7af1380aef3e82e70d8176afa3bd7566 [0,2,0,0,0,0|2,0,0]=4 912 B11R0.163 C=CCC[C@@H](C)OC(C)C(=O)O 31c57082a2eedc6fce88aac16d66e2d9 [0,2,0,0,0,0|2,0,0]=4 913 B11R0.163 C=CCC[C@@H](C)OC(F)C(=O)O f7e40264acda5e4707d2b6cba6fc4333 [0,2,0,0,0,0|2,0,0]=4 914 B11R0.163 C=CCC[C@@H](C)O[C@@H](C)C(=O)O fa1b205b5db39dab941d2a5e2a1d30fd [0,2,0,0,0,0|2,0,0]=4 915 B11R0.163 C=CCC[C@@H](C)O[C@@H](F)C(=O)O fb9b31daeb2821e1b5907d0eafcb87cb [0,2,0,0,0,0|2,0,0]=4 916 B11R0.163 C=CCC[C@@H](C)O[C@H](C)C(=O)O d21af63119826f2837342de1b62466df [0,2,0,0,0,0|2,0,0]=4 917 B11R0.163 CN(C/C=C/Cl)C[C@H](O)C(=O)O 7d2f27093068453c7d77fe8ac80ea31d [0,2,0,0,0,0|2,0,0]=4 918 B11R0.163 CN(C/C=C\Cl)C[C@H](O)C(=O)O 595c48af5493a6534a03dd180d063fe1 [0,2,0,0,0,0|2,0,0]=4 919 B11R0.163 CN(C/C=C\O)C[C@H](O)C(=O)O 39d118ab3334b199554ff85689669182 [0,2,0,0,0,0|2,0,0]=4 920 B11R0.187 C=CCN(C)CC(C)C(=O)OC 448be923199653ac6bf0486902f9be21 [0,2,0,0,0,0|2,0,0]=4 921 B11R0.187 C=CCN(C)CC(O)C(=O)OC 359a7689ca7d2ea4915105410b70b17d [0,2,0,0,0,0|2,0,0]=4 922 B11R0.187 C=CCN(C)C[C@@H](C)C(=O)OC 12473c9e04f839d6919d5caa3219b6ff [0,2,0,0,0,0|2,0,0]=4 923 B11R0.187 C=CCN(C)C[C@H](C)C(=O)OC 2755db38e85b24b3bc69a857a55f1292 [0,2,0,0,0,0|2,0,0]=4 924 B11R0.74 C=CCOC(C)C(C)(C)C(=O)O e084f371322436368304e4f6383e577d [0,2,0,0,0,0|1,1,0]=4 925 B11R0.74 C=CCOC(C)C(F)(F)C(=O)O aa70a959eb3eb3fe29575b8f2c70c9f6 [0,2,0,0,0,0|1,1,0]=4 926 B11R0.125 C/C=C/CNCC(C)(C)C(=O)O 79b94a53a48c8745085e82af722ffc35 [0,2,0,0,0,0|2,0,0]=4 927 B11R0.125 C/C=C/CNCC(F)(F)C(=O)O 2cd7f32e52b15055f5d8fd5a68b0fade [0,2,0,0,0,0|2,0,0]=4 928 B11R0.125 C/C=C/COCC(C)(C)C(=O)O accd932fecb717519c5ab9a8f7bf4add [0,2,0,0,0,0|1,1,0]=4 929 B11R0.125 C/C=C/COCC(C)(O)C(=O)O a298d7e1287fa3cf0a211473753d6741 [0,2,0,0,0,0|1,1,0]=4 930 B11R0.125 C/C=C/COC[C@@](C)(O)C(=O)O 59937eef8511240c70539cb37ef95024 [0,2,0,0,0,0|1,1,0]=4 931 B11R0.125 C/C=C/COC[C@](C)(O)C(=O)O 980233f89442f6a2f1e6f0ea1a03b53b [0,2,0,0,0,0|1,1,0]=4 932 B11R0.125 C/C=C\CNCC(C)(C)C(=O)O 34fa2d25e243d3bedb6a8b5776478bf1 [0,2,0,0,0,0|2,0,0]=4 933 B11R0.125 C/C=C\CNCC(F)(F)C(=O)O b1be8ebbefda1d40f860de5afe4f7ac3 [0,2,0,0,0,0|2,0,0]=4 934 B11R0.125 C/C=C\COCC(C)(C)C(=O)O 00b905977b639a443cb44247e409385f [0,2,0,0,0,0|1,1,0]=4 935 B11R0.125 C/C=C\COCC(C)(O)C(=O)O 6f9a4ea9ae80b09f4104cce5e6732dda [0,2,0,0,0,0|1,1,0]=4 936 B11R0.125 C/C=C\COC[C@@](C)(O)C(=O)O e8347ed6f0bdc309b97e02f9243486de [0,2,0,0,0,0|1,1,0]=4 937 B11R0.125 C/C=C\COC[C@](C)(O)C(=O)O 95915786252f1932782617a36b6cc25f [0,2,0,0,0,0|1,1,0]=4 938 B11R0.125 C=CCCCNC(C)(C)C(=O)O 5d90cc6f3b3c074771e90ee16e61f307 [0,2,0,0,0,0|2,0,0]=4 939 B11R0.125 C=CCCNCC(C)(C)C(=O)O adc1de161802e707db3111afda6ed1d0 [0,2,0,0,0,0|2,0,0]=4 940 B11R0.125 C=CCCNCC(C)(O)C(=O)O a2c5e1c66b6d3a992c6d22b96ef9a413 [0,2,0,0,0,0|2,0,0]=4 941 B11R0.125 C=CCCNCC(F)(F)C(=O)O 4844b8405953d792e8f568a3caeb078e [0,2,0,0,0,0|2,0,0]=4 942 B11R0.125 C=CCCNC[C@@](C)(O)C(=O)O 377864cf4bc1e33651b4025b9e6c9462 [0,2,0,0,0,0|2,0,0]=4 943 B11R0.125 C=CCCNC[C@](C)(O)C(=O)O 5057b1a8aa39c4500c07bc83f6eb2ece [0,2,0,0,0,0|2,0,0]=4 944 B11R0.125 C=CCCOCC(C)(C)C(=O)O 313023e1645c5f5b5cd887aeefb33ecb [0,2,0,0,0,0|1,1,0]=4 945 B11R0.125 C=CCCOCC(C)(O)C(=O)O 6b88a490cacd575ce7e7ecf0d6265a41 [0,2,0,0,0,0|1,1,0]=4 946 B11R0.125 C=CCCOC[C@@](C)(O)C(=O)O 5c7b37706ac1de7bfb34f277541bff52 [0,2,0,0,0,0|1,1,0]=4 947 B11R0.125 C=CCCOC[C@](C)(O)C(=O)O e149668e9a87da8ee541959af237d133 [0,2,0,0,0,0|1,1,0]=4 948 B11R0.125 C=CCNCCC(C)(C)C(=O)O 9f3f15fc532e9fbcb430e77ea85f5e76 [0,2,0,0,0,0|2,0,0]=4 949 B11R0.125 CC(C)(CNC/C=C/Cl)C(=O)O 5f5b7b0caaa09850ba2930bf505a8b3e [0,2,0,0,0,0|2,0,0]=4 950 B11R0.125 CC(C)(CNC/C=C\Cl)C(=O)O e75632fa6d53ccded5a4516e9d2bd258 [0,2,0,0,0,0|2,0,0]=4 951 B11R0.125 CC(C)(CNC/C=C\O)C(=O)O 308d4355098f65e4c4aa67c1a0472f7a [0,2,0,0,0,0|2,0,0]=4 952 B11R0.125 CC(C)(COC/C=C/Cl)C(=O)O 497a8267660d9bbf7c47b133cb621c47 [0,2,0,0,0,0|1,1,0]=4 953 B11R0.125 CC(C)(COC/C=C\Cl)C(=O)O 77ef84e059aefbb27c07bf743ca72307 [0,2,0,0,0,0|1,1,0]=4 954 B11R0.125 CC(C)(COCC=CCl)C(=O)O 5220dce3f8dbb39a1619dd8c2de715c3 [0,2,0,0,0,0|1,1,0]=4 955 B11R0.125 CC(O)(COC/C=C/Cl)C(=O)O 24d7dbc283ea9e0394a685364c3c4ebf [0,2,0,0,0,0|1,1,0]=4 956 B11R0.125 CC(O)(COCC=CCl)C(=O)O 1832d0485f4b78afcda7daf7330aef8b [0,2,0,0,0,0|1,1,0]=4 957 B11R0.125 CC=CCNCC(C)(C)C(=O)O 39e82ac9abdae92db91b5313f10f72d1 [0,2,0,0,0,0|2,0,0]=4 958 B11R0.125 CC=CCNCC(C)(O)C(=O)O e7b9e0c687fc2d7611c9654967cb35a1 [0,2,0,0,0,0|2,0,0]=4 959 B11R0.125 CC=CCNC[C@@](C)(O)C(=O)O 4bebfe2d48ea4c9093393eca81fcdb59 [0,2,0,0,0,0|2,0,0]=4 960 B11R0.125 CC=CCNC[C@](C)(O)C(=O)O 409ab72af8028965256244607ec63124 [0,2,0,0,0,0|2,0,0]=4 961 B11R0.125 CC=CCOCC(C)(C)C(=O)O a634180443ed29a3193045fca5d485fc [0,2,0,0,0,0|1,1,0]=4 962 B11R0.125 CC=CCOCC(C)(O)C(=O)O c9172fdc408ad0c8370a696bb37dcd24 [0,2,0,0,0,0|1,1,0]=4 963 B11R0.125 CC=CCOC[C@@](C)(O)C(=O)O e131ac79526fc8424bb6d065256be7a9 [0,2,0,0,0,0|1,1,0]=4 964 B11R0.125 CC=CCOC[C@](C)(O)C(=O)O 7aaae9ff03855be01b57644d082f3b3b [0,2,0,0,0,0|1,1,0]=4 965 B11R0.125 C[C@@](O)(COC/C=C/Cl)C(=O)O 7ef431a72c91ed32e4cd17754c9e797d [0,2,0,0,0,0|1,1,0]=4 966 B11R0.125 C[C@@](O)(COCC=CCl)C(=O)O f1c1c70145d5f2a3a97d5855eb5aa825 [0,2,0,0,0,0|1,1,0]=4 967 B11R0.125 C[C@](O)(COC/C=C/Cl)C(=O)O 9b10c6e559b5296f491e97f7510c1b77 [0,2,0,0,0,0|1,1,0]=4 968 B11R0.125 C[C@](O)(COCC=CCl)C(=O)O 0f97527a0bd1c0322b3035d7fed8959e [0,2,0,0,0,0|1,1,0]=4 969 B11R0.125 O=C(O)C(F)(F)CNC/C=C/Cl 2192a7902485a2cb99ab8d977d24b840 [0,2,0,0,0,0|2,0,0]=4 970 B11R0.125 O=C(O)C(F)(F)CNC/C=C\Cl 8dbcf61f315b28829c864e4c9f970361 [0,2,0,0,0,0|2,0,0]=4 971 B11R0.125 O=C(O)C(F)(F)CNC/C=C\O 69653529d8caccc94ec99f9de3545537 [0,2,0,0,0,0|2,0,0]=4 972 B11R0.201 C=CC(C)NCC(C)(C)C(=O)O 98044bed6af48aa263581267ba9439ba [0,2,0,0,0,0|2,0,0]=4 973 B11R0.201 C=CC(C)NCC(C)(O)C(=O)O 76c618480735512da32b7b42878c72b3 [0,2,0,0,0,0|2,0,0]=4 974 B11R0.201 C=CC(C)NCC(F)(F)C(=O)O de59ce92a2c5869a81c5e72126705dca [0,2,0,0,0,0|2,0,0]=4 975 B11R0.201 C=CC(C)NC[C@@](C)(O)C(=O)O 3ea7d7e6c07a9beb69dbc8df58c010dd [0,2,0,0,0,0|2,0,0]=4 976 B11R0.201 C=CC(C)NC[C@](C)(O)C(=O)O 88452bfc44dba36021d4804242305c4d [0,2,0,0,0,0|2,0,0]=4 977 B11R0.201 C=CC(C)OCC(C)(C)C(=O)O b4cc3210feba7e6ebb3f5adc54bb553a [0,2,0,0,0,0|1,1,0]=4 978 B11R0.201 C=CC(C)OCC(C)(O)C(=O)O f23453ce3cdd88a81664af36fcac11e2 [0,2,0,0,0,0|1,1,0]=4 979 B11R0.201 C=CC(C)OC[C@@](C)(O)C(=O)O ca875b3c39add3328f273ce6a53346b8 [0,2,0,0,0,0|1,1,0]=4 980 B11R0.201 C=CC(C)OC[C@](C)(O)C(=O)O cdd28e04078b13a7732b88f2242013e0 [0,2,0,0,0,0|1,1,0]=4 981 B11R0.201 C=C[C@H](C)OCC(C)(C)C(=O)O 7df91a025b117ad130f0202671395b32 [0,2,0,0,0,0|1,1,0]=4 982 B11R0.201 C=C[C@H](C)OCC(C)(O)C(=O)O 0558a3686fa014ff983825170dc8168e [0,2,0,0,0,0|1,1,0]=4 983 B11R0.201 C=C[C@H](C)OC[C@@](C)(O)C(=O)O 68350a51ee3066f9483d186fce31095c [0,2,0,0,0,0|1,1,0]=4 984 B11R0.201 C=C[C@H](C)OC[C@](C)(O)C(=O)O 6242a83bd2d653d9a2e32561440f5ef9 [0,2,0,0,0,0|1,1,0]=4 985 B11R0.202 C=C(Br)CNCC(C)(C)C(=O)O 58bf665dc2bed7da0926b0c4bbf420de [0,2,0,0,0,0|2,0,0]=4 986 B11R0.202 C=C(Br)CNCC(C)(O)C(=O)O bafa3db8b6f7b34502567de58dbed664 [0,2,0,0,0,0|2,0,0]=4 987 B11R0.202 C=C(Br)CNCC(F)(F)C(=O)O c306dc4082a6e371addc606b897a1ea4 [0,2,0,0,0,0|2,0,0]=4 988 B11R0.202 C=C(Br)CNC[C@@](C)(O)C(=O)O a491e019b4f8ac8d5a87ccbf14a29a70 [0,2,0,0,0,0|2,0,0]=4 989 B11R0.202 C=C(Br)CNC[C@](C)(O)C(=O)O f2baf0392786b012c1eca9ae3919a0c0 [0,2,0,0,0,0|2,0,0]=4 990 B11R0.202 C=C(Br)COCC(C)(C)C(=O)O 68825d597b15cce916f462621482deea [0,2,0,0,0,0|1,1,0]=4 991 B11R0.202 C=C(C)CNCC(C)(C)C(=O)O a09e5ed58932dbdc22c0b08f5d116390 [0,2,0,0,0,0|2,0,0]=4 992 B11R0.202 C=C(C)CNCC(C)(O)C(=O)O 4480b0d95500b6c190ee789275304e59 [0,2,0,0,0,0|2,0,0]=4 993 B11R0.202 C=C(C)CNCC(F)(F)C(=O)O 6ac261f58e2116235eab05f278a608d8 [0,2,0,0,0,0|2,0,0]=4 994 B11R0.202 C=C(C)CNC[C@@](C)(O)C(=O)O c9a0d2763dc4cd59729e37203566c502 [0,2,0,0,0,0|2,0,0]=4 995 B11R0.202 C=C(C)CNC[C@](C)(O)C(=O)O 3e49cc7f4473ae7b94d0f0dcc24683a7 [0,2,0,0,0,0|2,0,0]=4 996 B11R0.202 C=C(C)COCC(C)(C)C(=O)O 1cc7cf788614f06d0960223253fa876e [0,2,0,0,0,0|1,1,0]=4 997 B11R0.202 C=C(C)COCC(C)(O)C(=O)O dedeca63649d82770937e15cfaa02d17 [0,2,0,0,0,0|1,1,0]=4 998 B11R0.202 C=C(C)COC[C@@](C)(O)C(=O)O 01650f264425d63290359c1fcf5a2e3d [0,2,0,0,0,0|1,1,0]=4 999 B11R0.202 C=C(C)COC[C@](C)(O)C(=O)O 56e099b3f94d745c8b94a0dc181d68e7 [0,2,0,0,0,0|1,1,0]=4 1000 B11R0.202 C=C(Cl)CNCC(C)(C)C(=O)O f13b3df27a2868ba4b4ee88291520b95 [0,2,0,0,0,0|2,0,0]=4 1001 B11R0.202 C=C(Cl)CNCC(F)(F)C(=O)O bf525fde4b9849aadbdff53984e2efa9 [0,2,0,0,0,0|2,0,0]=4 1002 B11R0.202 C=C(Cl)COCC(C)(C)C(=O)O f61b6c6775405a0e3378cac1d7927424 [0,2,0,0,0,0|1,1,0]=4 1003 B11R0.202 C=C(Cl)COCC(C)(O)C(=O)O cace1a8b1731230f237c7eec768858be [0,2,0,0,0,0|1,1,0]=4 1004 B11R0.202 C=C(Cl)COC[C@@](C)(O)C(=O)O 9222a5e6db487f28df93100453e40e2f [0,2,0,0,0,0|1,1,0]=4 1005 B11R0.202 C=C(Cl)COC[C@](C)(O)C(=O)O 8b2fe37538df7772eb4b280a2963da82 [0,2,0,0,0,0|1,1,0]=4 1006 B11R0.202 C=C(F)CNCC(C)(C)C(=O)O c6c76f13089bac59428299080faeec1b [0,2,0,0,0,0|2,0,0]=4 1007 B11R0.202 C=C(F)CNCC(F)(F)C(=O)O f0128313e874d65a119963eedd556955 [0,2,0,0,0,0|2,0,0]=4 1008 B11R0.202 C=C(F)COCC(C)(C)C(=O)O 78f0b4704d9b30b5dd6d60700a45dcbf [0,2,0,0,0,0|1,1,0]=4 1009 B11R0.202 C=C(I)COCC(C)(C)C(=O)O feb85295e793f4169aa9235c790b1d13 [0,2,0,0,0,0|1,1,0]=4 1010 B11R0.202 C=C(I)COCC(C)(O)C(=O)O 2d80a7c8f774c2a8dd0882a3b11e50c3 [0,2,0,0,0,0|1,1,0]=4 1011 B11R0.202 C=C(I)COC[C@@](C)(O)C(=O)O 49d41b359f604b1426c5d03b549626bf [0,2,0,0,0,0|1,1,0]=4 1012 B11R0.202 C=C(I)COC[C@](C)(O)C(=O)O 4610f857e21c37f5e58c0131a8c38835 [0,2,0,0,0,0|1,1,0]=4 1013 B11R0.326 C=CCOCC(C)(C)C(=O)OC b8a51bf1b04c370ab6813f701356f400 [0,2,0,0,0,0|1,1,0]=4 1014 B11R0.329 C=CCNCC(C)(CC)C(=O)O df9e9ff3ebd7e8592b562165e0c5aff7 [0,2,0,0,0,0|2,0,0]=4 1015 B11R0.29 C/C(=C/CNCC(C)C(=O)O)/I 6c22bd408ef494ac31bc7551326262e6 [0,2,0,0,0,0|2,0,0]=4 1016 B11R0.29 C/C(=C/CNCC(F)C(=O)O)/I 1e808e95f06399d9d95c540cfa73358f [0,2,0,0,0,0|2,0,0]=4 1017 B11R0.29 C/C(=C/CNCC(O)C(=O)O)/I 03f28a3161d49c4ccf4351a5b6f20516 [0,2,0,0,0,0|2,0,0]=4 1018 B11R0.29 C/C(=C/CNC[C@@H](C)C(=O)O)/I e0a9828f336eff73093da62728a4abed [0,2,0,0,0,0|2,0,0]=4 1019 B11R0.29 C/C(=C/CNC[C@@H](O)C(=O)O)/I 45893ae9abb39272cf8f4ab45316b5d9 [0,2,0,0,0,0|2,0,0]=4 1020 B11R0.29 C/C(=C/CNC[C@H](C)C(=O)O)/I 16fddf0bd3665dab458bd39f99ce8319 [0,2,0,0,0,0|2,0,0]=4 1021 B11R0.29 C/C(=C/CNC[C@H](O)C(=O)O)/I 39b7f539333796a886ba132018868a9b [0,2,0,0,0,0|2,0,0]=4 1022 B11R0.29 C/C(=C/COCC(C)C(=O)O)/Cl 391c41c25c1cf0d3a79d451f22081f5a [0,2,0,0,0,0|1,1,0]=4 1023 B11R0.29 C/C(=C/COCC(C)C(=O)O)/I 8e9f4331192ddfc58342329fe38fec63 [0,2,0,0,0,0|1,1,0]=4 1024 B11R0.29 C/C(=C/COC[C@@H](C)C(=O)O)/I 5d0c32b534edb6cc027d2a7a5afdf00a [0,2,0,0,0,0|1,1,0]=4 1025 B11R0.29 C/C(=C/COC[C@H](C)C(=O)O)/I e5620ac8f5e24196f615cad5673bcd51 [0,2,0,0,0,0|1,1,0]=4 1026 B11R0.29 C/C(=C\CNCC(C)C(=O)O)/Cl 1ba0f4eaad67a37b5cfce9c3e9d1c9f3 [0,2,0,0,0,0|2,0,0]=4 1027 B11R0.29 C/C(=C\CNCC(F)C(=O)O)/Cl 175c86619d7d23cb324b6db304601ebe [0,2,0,0,0,0|2,0,0]=4 1028 B11R0.29 C/C(=C\CNCC(O)C(=O)O)/Cl 760ce3b15f19847dd53a25b052ce0983 [0,2,0,0,0,0|2,0,0]=4 1029 B11R0.29 C/C(=C\CNC[C@@H](C)C(=O)O)/Cl 1a30ac8e7c0d1250adb0bb57d36fe5ae [0,2,0,0,0,0|2,0,0]=4 1030 B11R0.29 C/C(=C\CNC[C@@H](O)C(=O)O)/Cl ba3cced0b78585f12ba528f5dcb434a0 [0,2,0,0,0,0|2,0,0]=4 1031 B11R0.29 C/C(=C\CNC[C@H](C)C(=O)O)/Cl f214ad91f9d7b88b0077d88ce1756cc7 [0,2,0,0,0,0|2,0,0]=4 1032 B11R0.29 C/C(=C\CNC[C@H](O)C(=O)O)/Cl cf2c33488221db27563bbe97e16ba992 [0,2,0,0,0,0|2,0,0]=4 1033 B11R0.29 C/C(=C\COCC(C)C(=O)O)/Cl b40ef4f4f4eb91037bfdaa3b4d8ec332 [0,2,0,0,0,0|1,1,0]=4 1034 B11R0.29 C/C(=C\COC[C@@H](C)C(=O)O)/Cl a31729fbe1295d6b3ef828b4531a089b [0,2,0,0,0,0|1,1,0]=4 1035 B11R0.29 C/C(=C\COC[C@H](C)C(=O)O)/Cl abdfe45575cfe544df76545745295908 [0,2,0,0,0,0|1,1,0]=4 1036 B11R0.29 C=C(Br)CCOCC(C)C(=O)O 19a7c616cdd921fa85d222d4935f1d90 [0,2,0,0,0,0|1,1,0]=4 1037 B11R0.29 C=C(Br)CNCCC(F)C(=O)O 8701e974172c786978f7cca491352b48 [0,2,0,0,0,0|2,0,0]=4 1038 B11R0.29 C=C(Br)CNCCC(O)C(=O)O 2727b136631e0293db17f2775f84a2e2 [0,2,0,0,0,0|2,0,0]=4 1039 B11R0.29 C=C(Br)CNCC[C@H](O)C(=O)O 86cfae10a7f05c4130cff85b241597d5 [0,2,0,0,0,0|2,0,0]=4 1040 B11R0.29 C=C(C)CCCNC(C)C(=O)O fce2db971d82b0f16e89f81426b026eb [0,2,0,0,0,0|2,0,0]=4 1041 B11R0.29 C=C(C)CCCNC(O)C(=O)O a46fda0ff1f297f670fa93c354183b17 [0,2,0,0,0,0|2,0,0]=4 1042 B11R0.29 C=C(C)CCCN[C@@H](C)C(=O)O 3b8df86f3e6021b480c81f3b74d750e0 [0,2,0,0,0,0|2,0,0]=4 1043 B11R0.29 C=C(C)CCCN[C@H](C)C(=O)O b868608da4cc5d33c2eb16bf7ee78c92 [0,2,0,0,0,0|2,0,0]=4 1044 B11R0.29 C=C(C)CCNCC(C)C(=O)O 565fb2da5f7cef0404aa3f2f550607a2 [0,2,0,0,0,0|2,0,0]=4 1045 B11R0.29 C=C(C)CCNCC(F)C(=O)O 3dcff3eb63f93f2067026ffe1029bf82 [0,2,0,0,0,0|2,0,0]=4 1046 B11R0.29 C=C(C)CCNCC(O)C(=O)O 2a2f3e737230da1b8ca7b05cf94eb90c [0,2,0,0,0,0|2,0,0]=4 1047 B11R0.29 C=C(C)CCNC[C@@H](C)C(=O)O fdf4b5ef38b422773bf1762c1ac843bb [0,2,0,0,0,0|2,0,0]=4 1048 B11R0.29 C=C(C)CCNC[C@@H](O)C(=O)O 3ade3b9a075f571eadaa6bb622e49214 [0,2,0,0,0,0|2,0,0]=4 1049 B11R0.29 C=C(C)CCNC[C@H](C)C(=O)O 713a72cabe00f9e1693fa3fe49b14abf [0,2,0,0,0,0|2,0,0]=4 1050 B11R0.29 C=C(C)CCNC[C@H](O)C(=O)O 2219354d0622b1a07c5bbee6970d9d40 [0,2,0,0,0,0|2,0,0]=4 1051 B11R0.29 C=C(C)CCOCC(C)C(=O)O 800cbd8832e677f796eed2b0a867cc5d [0,2,0,0,0,0|1,1,0]=4 1052 B11R0.29 C=C(C)CCOC[C@@H](C)C(=O)O 27bcc99710bc3999b6262ccd9d780f8d [0,2,0,0,0,0|1,1,0]=4 1053 B11R0.29 C=C(C)CCOC[C@H](C)C(=O)O 0b42352ed42b149a6e08c73643a3a314 [0,2,0,0,0,0|1,1,0]=4 1054 B11R0.29 C=C(C)CNCCC(F)C(=O)O de20317bd0d176a6b118a22a7aacec6e [0,2,0,0,0,0|2,0,0]=4 1055 B11R0.29 C=C(C)CNCCC(O)C(=O)O 55576385ac39b05f4f4f1486b0a3f5d3 [0,2,0,0,0,0|2,0,0]=4 1056 B11R0.29 C=C(C)CNCC[C@H](O)C(=O)O e87a17b8a5719088b1cc2e05005acdee [0,2,0,0,0,0|2,0,0]=4 1057 B11R0.29 C=C(Cl)CNCCC(F)C(=O)O 00759d9a57af819e3dda8fe08491b3c8 [0,2,0,0,0,0|2,0,0]=4 1058 B11R0.29 C=C(Cl)CNCCC(O)C(=O)O b754d53862643ce791efd3bbb958d159 [0,2,0,0,0,0|2,0,0]=4 1059 B11R0.29 C=C(Cl)CNCC[C@H](O)C(=O)O 5f368dfca0bd137d77fc9824e5a4a786 [0,2,0,0,0,0|2,0,0]=4 1060 B11R0.29 C=C(F)CNCCC(F)C(=O)O 8c9c7eaeef4e74e9e87c5920f37445bd [0,2,0,0,0,0|2,0,0]=4 1061 B11R0.29 C=C(F)CNCCC(O)C(=O)O 2c78f82be34539e92de37dd6f7833459 [0,2,0,0,0,0|2,0,0]=4 1062 B11R0.29 C=C(F)CNCC[C@H](O)C(=O)O c05c970e9c4e0afaaaf1e8c486a15ae4 [0,2,0,0,0,0|2,0,0]=4 1063 B11R0.29 CC(=CCNCC(C)C(=O)O)C 3b28e47127368ec030feab73941f2877 [0,2,0,0,0,0|2,0,0]=4 1064 B11R0.29 CC(=CCNCC(C)C(=O)O)Cl f423a60c6f21096c07168da395edb7d2 [0,2,0,0,0,0|2,0,0]=4 1065 B11R0.29 CC(=CCNCC(C)C(=O)O)I 4bccd13e4e43e185e1f5376e12ddd21d [0,2,0,0,0,0|2,0,0]=4 1066 B11R0.29 CC(=CCNCC(F)C(=O)O)C 1d48ef133542c0c14af96d8b1966ac83 [0,2,0,0,0,0|2,0,0]=4 1067 B11R0.29 CC(=CCNCC(F)C(=O)O)Cl 227a221a64465521577cd6896221d8be [0,2,0,0,0,0|2,0,0]=4 1068 B11R0.29 CC(=CCNCC(F)C(=O)O)I 827a2b7f8d637b81b1fda290e7c1d383 [0,2,0,0,0,0|2,0,0]=4 1069 B11R0.29 CC(=CCNCC(O)C(=O)O)C 050795d6341c16ba17ade3fc0cba8a27 [0,2,0,0,0,0|2,0,0]=4 1070 B11R0.29 CC(=CCNCC(O)C(=O)O)Cl 055702398faf9bfdfc13bb025b0ffabc [0,2,0,0,0,0|2,0,0]=4 1071 B11R0.29 CC(=CCNCC(O)C(=O)O)I 2a26a307c5c33a2d2caf4e3f3e058e55 [0,2,0,0,0,0|2,0,0]=4 1072 B11R0.29 CC(=CCNC[C@@H](C)C(=O)O)C c90c8959c3d26ec7194e0fc20acd6d14 [0,2,0,0,0,0|2,0,0]=4 1073 B11R0.29 CC(=CCNC[C@@H](C)C(=O)O)Cl c4953fc43e82dcf688618f3fe20133c2 [0,2,0,0,0,0|2,0,0]=4 1074 B11R0.29 CC(=CCNC[C@@H](C)C(=O)O)I 1969d48fd8bd5181252d5ab1a2f24237 [0,2,0,0,0,0|2,0,0]=4 1075 B11R0.29 CC(=CCNC[C@@H](O)C(=O)O)C b61b27e3cb8305337ba7e4a93734c68a [0,2,0,0,0,0|2,0,0]=4 1076 B11R0.29 CC(=CCNC[C@@H](O)C(=O)O)Cl 58825d3fc806ff1cda7735baae82d2fd [0,2,0,0,0,0|2,0,0]=4 1077 B11R0.29 CC(=CCNC[C@@H](O)C(=O)O)I 3606681fc2324c6c561fe4e8828f997a [0,2,0,0,0,0|2,0,0]=4 1078 B11R0.29 CC(=CCNC[C@H](C)C(=O)O)C fcc0991b7219b5ee695c380bb8067ffc [0,2,0,0,0,0|2,0,0]=4 1079 B11R0.29 CC(=CCNC[C@H](C)C(=O)O)Cl eb396cc452acc4dba8f5f41e1907b206 [0,2,0,0,0,0|2,0,0]=4 1080 B11R0.29 CC(=CCNC[C@H](C)C(=O)O)I 7b3f7a8353949230aa2c7f2e7c9998aa [0,2,0,0,0,0|2,0,0]=4 1081 B11R0.29 CC(=CCNC[C@H](O)C(=O)O)C c124a3ddcb273a9ee0e1444aff8b7172 [0,2,0,0,0,0|2,0,0]=4 1082 B11R0.29 CC(=CCNC[C@H](O)C(=O)O)Cl 9e4bd7c847a99f05e73a926ffe55c36f [0,2,0,0,0,0|2,0,0]=4 1083 B11R0.29 CC(=CCNC[C@H](O)C(=O)O)I 48bb0ff3c80775dbe71e82ce5c56b95b [0,2,0,0,0,0|2,0,0]=4 1084 B11R0.29 CC(=CCOCC(C)C(=O)O)C 2e27c8f50d502a40ba83c97d1d2649fe [0,2,0,0,0,0|1,1,0]=4 1085 B11R0.29 CC(=CCOCC(C)C(=O)O)Cl 906559c11d138b330dc77cbf41f56430 [0,2,0,0,0,0|1,1,0]=4 1086 B11R0.29 CC(=CCOCC(C)C(=O)O)I 5463920f01781eb29c4e66336eb9049e [0,2,0,0,0,0|1,1,0]=4 1087 B11R0.29 CC(=CCOC[C@@H](C)C(=O)O)C bdf80a758ec9f41c035bb01c04b50f75 [0,2,0,0,0,0|1,1,0]=4 1088 B11R0.29 CC(=CCOC[C@@H](C)C(=O)O)Cl b1c65b39b8fb9a0242850103931e18c0 [0,2,0,0,0,0|1,1,0]=4 1089 B11R0.29 CC(=CCOC[C@@H](C)C(=O)O)I 13b0d4e01d60211f3de6882ee73fc399 [0,2,0,0,0,0|1,1,0]=4 1090 B11R0.29 CC(=CCOC[C@H](C)C(=O)O)C eb916112ca636c53a883f307c2736beb [0,2,0,0,0,0|1,1,0]=4 1091 B11R0.29 CC(=CCOC[C@H](C)C(=O)O)Cl d14a1ca3af67c121780614b4fa965e2d [0,2,0,0,0,0|1,1,0]=4 1092 B11R0.29 CC(=CCOC[C@H](C)C(=O)O)I 76076f68fa288af4fde216b3bde359a1 [0,2,0,0,0,0|1,1,0]=4 1093 B11R0.29 CC(CNCC=C(Cl)Cl)C(=O)O 81f676b4c3c493895d81f59b1d12057c [0,2,0,0,0,0|2,0,0]=4 1094 B11R0.29 CC(COCC=C(Cl)Cl)C(=O)O 9e6e14867f82522ce5536a28d2ed4034 [0,2,0,0,0,0|1,1,0]=4 1095 B11R0.29 C[C@@H](CNCC=C(Cl)Cl)C(=O)O 3eae7dcd08ec77ee896ced27d1cd0856 [0,2,0,0,0,0|2,0,0]=4 1096 B11R0.29 C[C@@H](COCC=C(Cl)Cl)C(=O)O 2fbb029bff2c9db5bf0ff6a4337fd143 [0,2,0,0,0,0|1,1,0]=4 1097 B11R0.29 C[C@H](CNCC=C(Cl)Cl)C(=O)O a1dd0b2da7513ecc04efb73e98e81d06 [0,2,0,0,0,0|2,0,0]=4 1098 B11R0.29 C[C@H](COCC=C(Cl)Cl)C(=O)O b7c93695c2a4d8399330acd2d0a44fee [0,2,0,0,0,0|1,1,0]=4 1099 B11R0.29 O=C(O)C(F)CNCC=C(Cl)Cl e229327afdc981e4a1182cd9f56d34b3 [0,2,0,0,0,0|2,0,0]=4 1100 B11R0.29 O=C(O)C(O)CNCC=C(Cl)Cl 178c9193528b3fe7aa5b868ac586a041 [0,2,0,0,0,0|2,0,0]=4 1101 B11R0.29 O=C(O)[C@@H](O)CNCC=C(Cl)Cl 8132a6a5f00089b62638b490a73c59fe [0,2,0,0,0,0|2,0,0]=4 1102 B11R0.29 O=C(O)[C@H](O)CNCC=C(Cl)Cl bfc6d58764ba2d7d1f79b0c9fd3f5c4c [0,2,0,0,0,0|2,0,0]=4 1103 B11R0.42 C/C=C/CCCOC(C)C(=O)O a43559789a71a47ad27f044b689b764d [0,2,0,0,0,0|2,0,0]=4 1104 B11R0.42 C/C=C/CCCOC(F)C(=O)O ef46eb1bedb7ba6ced96dc920c2e024a [0,2,0,0,0,0|2,0,0]=4 1105 B11R0.42 C/C=C/CCCO[C@@H](C)C(=O)O 1a82e68af940464ea49ad849222570c1 [0,2,0,0,0,0|2,0,0]=4 1106 B11R0.42 C/C=C/CCCO[C@@H](F)C(=O)O 4feb0996ff63c3d11afefefeb74eb93d [0,2,0,0,0,0|2,0,0]=4 1107 B11R0.42 C/C=C/CCCO[C@H](C)C(=O)O 626dcde4667bfeb9aed10f825c2c017f [0,2,0,0,0,0|2,0,0]=4 1108 B11R0.42 C/C=C/CCOCC(C)C(=O)O 0f8e1e8f02460e37c1ce08d06ff5c8ef [0,2,0,0,0,0|1,1,0]=4 1109 B11R0.42 C/C=C/CNCCC(F)C(=O)O ed37369ff43d5c7dc73bc32403cd3172 [0,2,0,0,0,0|2,0,0]=4 1110 B11R0.42 C/C=C/CNCCC(O)C(=O)O 330d368573b0a16e935f318b0bf29cda [0,2,0,0,0,0|2,0,0]=4 1111 B11R0.42 C/C=C/CNCC[C@H](O)C(=O)O 51663ea5aa777d00512b60c581e8dd62 [0,2,0,0,0,0|2,0,0]=4 1112 B11R0.42 C/C=C\CCCNC(C)C(=O)O f4cacd02f459850ee1968f0932e771bb [0,2,0,0,0,0|2,0,0]=4 1113 B11R0.42 C/C=C\CCCNC(O)C(=O)O 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C=C=CCCOCC(C)C(=O)O 32d4db45529da8baadc718b0101e3be7 [0,2,0,0,0,0|1,1,0]=4 1125 B11R0.42 C=CCCCCNC(C)C(=O)O ef3467223fd89dc986b31ceb793c94a2 [0,2,0,0,0,0|2,0,0]=4 1126 B11R0.42 C=CCCCCNC(F)C(=O)O 3eda636dc2e7f28e464cc27fb3c4e67e [0,2,0,0,0,0|2,0,0]=4 1127 B11R0.42 C=CCCCCNC(O)C(=O)O 54ba432986884fa133ea41d4291ad8d5 [0,2,0,0,0,0|2,0,0]=4 1128 B11R0.42 C=CCCCCN[C@@H](C)C(=O)O 11d49dc439a978136fe85f150411ad48 [0,2,0,0,0,0|2,0,0]=4 1129 B11R0.42 C=CCCCCN[C@@H](F)C(=O)O 4cdbd55cc52d3cd606666d598baa041b [0,2,0,0,0,0|2,0,0]=4 1130 B11R0.42 C=CCCCCN[C@H](C)C(=O)O 6336b98519562764364617a0efcdbfe6 [0,2,0,0,0,0|2,0,0]=4 1131 B11R0.42 C=CCCCCOC(C)C(=O)O 268ccf752852c616900da8c671378436 [0,2,0,0,0,0|2,0,0]=4 1132 B11R0.42 C=CCCCCO[C@@H](C)C(=O)O f3df5e1772cb5c7fd174d41c3a0bfeb4 [0,2,0,0,0,0|2,0,0]=4 1133 B11R0.42 C=CCCCCO[C@H](C)C(=O)O f195d31d72ffa962d27a71c5bd633f51 [0,2,0,0,0,0|2,0,0]=4 1134 B11R0.42 C=CCCCNCC(C)C(=O)O 1e4884361eab86fe6bf7c0c8a519b646 [0,2,0,0,0,0|2,0,0]=4 1135 B11R0.42 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6b8a82d8c3b83fdd0b2b0f5d5e367247 [0,2,0,0,0,0|2,0,0]=4 1212 B11R0.76 C=CCCCN[C@@H](C=C)C(=O)O 36ce0a2fef8cfe4c520e11bc0848ecf7 [0,2,0,0,0,0|2,0,0]=4 1213 B11R0.76 C=CCCCN[C@@H](CC)C(=O)O 397d45dc333851aed23fc554d3968250 [0,2,0,0,0,0|2,0,0]=4 1214 B11R0.76 C=CCCCN[C@@H](CCl)C(=O)O 1d9c3e53d253869b63ee438053ed1cd8 [0,2,0,0,0,0|2,0,0]=4 1215 B11R0.76 C=CCCCN[C@@H](CO)C(=O)O dee0442cc6a9e380c03763e51b251378 [0,2,0,0,0,0|2,0,0]=4 1216 B11R0.76 C=CCCCN[C@@H](CS)C(=O)O 4139846a91ddedbae3f78f65110e1ed8 [0,2,0,0,0,0|2,0,0]=4 1217 B11R0.76 C=CCCCN[C@H](CC)C(=O)O cd421bea10500a89e4157b045cf91553 [0,2,0,0,0,0|2,0,0]=4 1218 B11R0.76 C=CCCCN[C@H](CCl)C(=O)O 78b5327283126edac5541044d197a14c [0,2,0,0,0,0|2,0,0]=4 1219 B11R0.76 C=CCCCN[C@H](CO)C(=O)O bb9005c9ee40168c2b28b95862f8e0cd [0,2,0,0,0,0|2,0,0]=4 1220 B11R0.76 C=CCCCN[C@H](CS)C(=O)O 96ca7b382c5aae9169885bd2f2177f99 [0,2,0,0,0,0|2,0,0]=4 1221 B11R0.76 C=CCCCOC(CC)C(=O)O e01d4266ef6550267afc4a35c71722b2 [0,2,0,0,0,0|2,0,0]=4 1222 B11R0.76 C=CCCCOC(CF)C(=O)O f1a87f269d33656e3267176a55f3cad5 [0,2,0,0,0,0|2,0,0]=4 1223 B11R0.76 C=CCCCO[C@@H](CC)C(=O)O 4885387adfa274e9c9f971b14ef9d286 [0,2,0,0,0,0|2,0,0]=4 1224 B11R0.76 C=CCCCO[C@H](CC)C(=O)O f6e02e611bf2aa221123a94a50ab4b78 [0,2,0,0,0,0|2,0,0]=4 1225 B11R0.76 C=CCCCO[C@H](CF)C(=O)O b2227a61a75d767cbd69c0e5ce748cb2 [0,2,0,0,0,0|2,0,0]=4 1226 B11R0.76 C=CCCNCC(C#N)C(=O)O 8e7e757f2be15beba1139096d22a80d5 [0,2,0,0,0,0|1,0,1]=4 1227 B11R0.76 C=CCCNC[C@H](CC)C(=O)O 922fac991a91c4eba7f10b0c67541fc6 [0,2,0,0,0,0|2,0,0]=4 1228 B11R0.76 C=CCCNC[C@H](CO)C(=O)O b7fdd64501c3221d612496abedeaba0a [0,2,0,0,0,0|2,0,0]=4 1229 B11R0.76 C=CCNCCC(OC)C(=O)O 26e54d574cedec94536718cca2aeda9f [0,2,0,0,0,0|2,0,0]=4 1230 B11R0.76 CC[C@@H](CNC/C=C/Cl)C(=O)O 022ad6137a459c72f5f87e19f89a950b [0,2,0,0,0,0|2,0,0]=4 1231 B11R0.76 CC[C@@H](CNC/C=C\Cl)C(=O)O 66bd8e83d7a6a4b69d67df676266901c [0,2,0,0,0,0|2,0,0]=4 1232 B11R0.76 CC[C@@H](CNC/C=C\O)C(=O)O 6dc9fa20a0a0c13177364793693934bc [0,2,0,0,0,0|2,0,0]=4 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35a5e334f6a7be1ab09e513d971318ad [0,2,0,0,0,0|2,0,0]=4 1244 B11R0.109 C=C(C#N)CNC[C@@H](O)C(=O)O 7cb2db0b0a7c4e8ce760ce4a12cdcd83 [0,2,0,0,0,0|2,0,0]=4 1245 B11R0.109 C=C(C#N)CNC[C@H](C)C(=O)O c6a26aa98862c275a4ba577c0692e6ce [0,2,0,0,0,0|2,0,0]=4 1246 B11R0.109 C=C(C#N)CNC[C@H](O)C(=O)O e8528c3aac75eeabf52a43cf1677b8d8 [0,2,0,0,0,0|2,0,0]=4 1247 B11R0.109 C=C(C#N)COCC(C)C(=O)O 93882f98a07e5ef47eef3a887d09483c [0,2,0,0,0,0|1,1,0]=4 1248 B11R0.109 C=C(C#N)COC[C@@H](C)C(=O)O 1f910071328dd36d1b1efa9ada05ad4e [0,2,0,0,0,0|1,1,0]=4 1249 B11R0.109 C=C(C#N)COC[C@H](C)C(=O)O 909f0e52d07c9ef9c60f3f598cabd7b5 [0,2,0,0,0,0|1,1,0]=4 1250 B11R0.109 C=C(CC)CNCC(C)C(=O)O 7850d378a547ff56dcbb18aae16ecc6f [0,2,0,0,0,0|2,0,0]=4 1251 B11R0.109 C=C(CC)CNCC(F)C(=O)O c4743fd6185da8d18a390b52c2e3327c [0,2,0,0,0,0|2,0,0]=4 1252 B11R0.109 C=C(CC)CNCC(O)C(=O)O 6aa56d80037ad374469be02149561dfb [0,2,0,0,0,0|2,0,0]=4 1253 B11R0.109 C=C(CC)CNC[C@@H](C)C(=O)O 4890b5df034c04f260210207248e4712 [0,2,0,0,0,0|2,0,0]=4 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8c677024003b8c2990aaec7d26a3284a [0,2,0,0,0,0|2,0,0]=4 1265 B11R0.109 C=C(CNC[C@H](C)C(=O)O)OC 5c7dbfe281e614753dd4ffefe38343ea [0,2,0,0,0,0|2,0,0]=4 1266 B11R0.109 C=C(CNC[C@H](O)C(=O)O)OC a7b9c0d7beaf1f04b5e9080107eb4828 [0,2,0,0,0,0|2,0,0]=4 1267 B11R0.109 C=C(CO)CNCC(C)C(=O)O 5faa81bb2955efaa8b8dda65b24482cf [0,2,0,0,0,0|2,0,0]=4 1268 B11R0.109 C=C(CO)CNCC(F)C(=O)O e8ae25af1be2c5f67b46e0f901652c75 [0,2,0,0,0,0|2,0,0]=4 1269 B11R0.109 C=C(CO)CNCC(O)C(=O)O 7e136a9b2200896eb96ce2ad97a2ad90 [0,2,0,0,0,0|2,0,0]=4 1270 B11R0.109 C=C(CO)CNC[C@@H](C)C(=O)O 1415bf7520261aa78eab7fc94eec1bfb [0,2,0,0,0,0|2,0,0]=4 1271 B11R0.109 C=C(CO)CNC[C@@H](O)C(=O)O b16aed6fe20a7d717db9fcf6489b50b0 [0,2,0,0,0,0|2,0,0]=4 1272 B11R0.109 C=C(CO)CNC[C@H](C)C(=O)O a3c513ca4edd560570f3e7281cc19f2d [0,2,0,0,0,0|2,0,0]=4 1273 B11R0.109 C=C(CO)CNC[C@H](O)C(=O)O bc6a56b32cb24691beac920e372be112 [0,2,0,0,0,0|2,0,0]=4 1274 B11R0.109 C=C(COCC(C)C(=O)O)OC 3a1890c42fa252b9ea0895f9aaa0ba93 [0,2,0,0,0,0|1,1,0]=4 1275 B11R0.109 C=C(COC[C@@H](C)C(=O)O)OC 07a5c0566192609545e9c8c156bd4323 [0,2,0,0,0,0|1,1,0]=4 1276 B11R0.109 C=C(COC[C@H](C)C(=O)O)OC 50e5f080bb25220a0a55578f2157d120 [0,2,0,0,0,0|1,1,0]=4 1277 B11R0.109 C=CC(C)COCC(C)C(=O)O 13cb7d3418498fdf19102d46859fa66b [0,2,0,0,0,0|1,1,0]=4 1278 B11R0.109 C=CC(C)NCCC(F)C(=O)O 1a00bae95efb25b33d0a933b2d2e94a9 [0,2,0,0,0,0|2,0,0]=4 1279 B11R0.109 C=CC(C)NCCC(O)C(=O)O 3a5c279fd24b55694eff67ffed22e279 [0,2,0,0,0,0|2,0,0]=4 1280 B11R0.109 C=CC(C)NCC[C@H](O)C(=O)O ecddbee65a9f02b447bc1553a29845c0 [0,2,0,0,0,0|2,0,0]=4 1281 B11R0.109 C=CC(O)CNCC(C)C(=O)O 2575873a750be6175c93dd46db589134 [0,2,0,0,0,0|2,0,0]=4 1282 B11R0.109 C=CC(O)CNCC(O)C(=O)O 2939f2b22f2bec1ef7b5588d6658adbd [0,2,0,0,0,0|2,0,0]=4 1283 B11R0.109 C=CC(O)CNC[C@H](O)C(=O)O f05bcb258a09f6b691de25f76e9a23d7 [0,2,0,0,0,0|2,0,0]=4 1284 B11R0.109 CC(=CI)COCC(C)C(=O)O d728a2db6581e15f054d35b13abe9f5d [0,2,0,0,0,0|1,1,0]=4 1285 B11R0.109 CC(CNC/C(=C/Cl)/Cl)C(=O)O 2bf600a2af6eefe65e251a1bf8d4dbfc [0,2,0,0,0,0|2,0,0]=4 1286 B11R0.109 CC(COC/C(=C/Cl)/Cl)C(=O)O b4fed05e303777e5a4a63b7f37c5a3d1 [0,2,0,0,0,0|1,1,0]=4 1287 B11R0.109 C[C@@H](CNC/C(=C/Cl)/Cl)C(=O)O 79be7e7172b2d477a50fa1016d6b5992 [0,2,0,0,0,0|2,0,0]=4 1288 B11R0.109 C[C@@H](COC/C(=C/Cl)/Cl)C(=O)O e2314b2b31d7ecdd819b2572e086dfd8 [0,2,0,0,0,0|1,1,0]=4 1289 B11R0.109 C[C@H](CNC/C(=C/Cl)/Cl)C(=O)O ed7106521fea67773420e3aa11e1b436 [0,2,0,0,0,0|2,0,0]=4 1290 B11R0.109 C[C@H](COC/C(=C/Cl)/Cl)C(=O)O 5e25d55520b6a2afa06b4b3aceefcacc [0,2,0,0,0,0|1,1,0]=4 1291 B11R0.109 O=C(O)C(F)CNC/C(=C/Cl)/Cl f1965e55844a45b725f5983e94a3c350 [0,2,0,0,0,0|2,0,0]=4 1292 B11R0.109 O=C(O)C(O)CNC/C(=C/Cl)/Cl 5b2dfb076d931f244538567eaba89b76 [0,2,0,0,0,0|2,0,0]=4 1293 B11R0.109 O=C(O)[C@@H](O)CNC/C(=C/Cl)/Cl 27f1318a4ca53b2bd73baf4d252e46a5 [0,2,0,0,0,0|2,0,0]=4 1294 B11R0.109 O=C(O)[C@H](O)CNC/C(=C/Cl)/Cl 2f5ea2252a2535fe5a1ed2e0c433b6dc [0,2,0,0,0,0|2,0,0]=4 1295 B11R0.141 C/C=C/C(C)OCC(C)C(=O)O 51c2e13d9e2f13998d3440bb175d523d [0,2,0,0,0,0|1,1,0]=4 1296 B11R0.141 C=CCC(C)CNC(C)C(=O)O 83cbf2c797e713e86a4ff45a5287b560 [0,2,0,0,0,0|2,0,0]=4 1297 B11R0.141 C=CCC(C)CNC(O)C(=O)O 0f1c7d63dbad5fb0630f1a6cc7f04eb6 [0,2,0,0,0,0|2,0,0]=4 1298 B11R0.141 C=CCC(C)CN[C@@H](C)C(=O)O 9c686f27af8274f1bf7ae8d05cd74c1d [0,2,0,0,0,0|2,0,0]=4 1299 B11R0.141 C=CCC(C)CN[C@H](C)C(=O)O 19919965e35e12ff9735da3815bc6ccf [0,2,0,0,0,0|2,0,0]=4 1300 B11R0.141 C=CCC(C)COC(C)C(=O)O b7ef387fc5afbd010f908119d9be8929 [0,2,0,0,0,0|2,0,0]=4 1301 B11R0.141 C=CCC(C)CO[C@@H](C)C(=O)O 895504d090199444910260070b23204c [0,2,0,0,0,0|2,0,0]=4 1302 B11R0.141 C=CCC(C)CO[C@H](C)C(=O)O b04f0b11f0fd724c8b866d6beb09b0b7 [0,2,0,0,0,0|2,0,0]=4 1303 B11R0.141 C=CCC(C)OCC(C)C(=O)O 61d5ac770869dda544cd11bfa50aafe6 [0,2,0,0,0,0|1,1,0]=4 1304 B11R0.141 C=CCC(O)CNC(C)C(=O)O 8f1eabb0001feefc0c6c090e45ce35b6 [0,2,0,0,0,0|2,0,0]=4 1305 B11R0.141 C=CCC(O)CNC(F)C(=O)O 1d45ccf861620a17b48d4bc4f00fb76b [0,2,0,0,0,0|2,0,0]=4 1306 B11R0.141 C=CCC(O)CN[C@@H](C)C(=O)O 9012982663654006453bba4cea16be92 [0,2,0,0,0,0|2,0,0]=4 1307 B11R0.141 C=CCC(O)CN[C@@H](F)C(=O)O 9e528ff0d8c203e9efab8270326a9164 [0,2,0,0,0,0|2,0,0]=4 1308 B11R0.141 C=CCC(O)CN[C@H](C)C(=O)O f9b77e510034131179c5c01274e93892 [0,2,0,0,0,0|2,0,0]=4 1309 B11R0.141 C=CC[C@@H](C)OCC(C)C(=O)O 5184ab7045b07c1bf0e1ad39571b5be0 [0,2,0,0,0,0|1,1,0]=4 1310 B11R0.141 C=CC[C@H](C)OCC(C)C(=O)O 51701e935a3a6306a8aa91bb4c9dfd32 [0,2,0,0,0,0|1,1,0]=4 1311 B11R0.141 CC=CC(C)OCC(C)C(=O)O 505c4138ac12715843e8bb5aa01a1979 [0,2,0,0,0,0|1,1,0]=4 1312 B11R0.142 C/C=C/CNCC(C)C(=O)OC 78ad35db26ffc38dbe4c0428c7c9e8ca [0,2,0,0,0,0|2,0,0]=4 1313 B11R0.142 C/C=C/COCC(C)C(=O)OC c00a79f28afdd7d2df9b435fb1ff0de9 [0,2,0,0,0,0|1,1,0]=4 1314 B11R0.142 C/C=C/COCC(F)C(=O)OC 7b3544f86fbf2d6c376d76f62d49c29c [0,2,0,0,0,0|1,1,0]=4 1315 B11R0.142 C/C=C/COC[C@@H](C)C(=O)OC 896970ec31f1c7f64d57cc2f668cbbba [0,2,0,0,0,0|1,1,0]=4 1316 B11R0.142 C/C=C/COC[C@H](C)C(=O)OC 4d6b05c6f40c89dc112457b47117827b [0,2,0,0,0,0|1,1,0]=4 1317 B11R0.142 C/C=C\CNCC(C)C(=O)OC e6b1f9ab9b8c7b1e4c9e726ae53ffa01 [0,2,0,0,0,0|2,0,0]=4 1318 B11R0.142 C/C=C\COCC(C)C(=O)OC 192ffcbc18d0e21ce5181ed46d9edb08 [0,2,0,0,0,0|1,1,0]=4 1319 B11R0.142 C/C=C\COCC(F)C(=O)OC f5f0828a64754c98449b9b6714c45a17 [0,2,0,0,0,0|1,1,0]=4 1320 B11R0.142 C/C=C\COC[C@@H](C)C(=O)OC c5e462fa3bea670bdcfa6d380fb0827a [0,2,0,0,0,0|1,1,0]=4 1321 B11R0.142 C/C=C\COC[C@H](C)C(=O)OC 217d58e29176bfed4a1684a388a40f4a [0,2,0,0,0,0|1,1,0]=4 1322 B11R0.142 C=CCCCNC(C)C(=O)OC bcc03e20e2e73da13cf7ba59351068ff [0,2,0,0,0,0|2,0,0]=4 1323 B11R0.142 C=CCCCN[C@@H](C)C(=O)OC 7ebab6468a797fe37e6e82ad0bae5bbc [0,2,0,0,0,0|2,0,0]=4 1324 B11R0.142 C=CCCCN[C@H](C)C(=O)OC b87871a0651046d290c083e104c4abb3 [0,2,0,0,0,0|2,0,0]=4 1325 B11R0.142 C=CCCCOC(C)C(=O)OC e18d938f276f4bff9ed0555cfdb6c998 [0,2,0,0,0,0|2,0,0]=4 1326 B11R0.142 C=CCCCO[C@@H](C)C(=O)OC 682e2c48ddd44f078f99f7663a0969c5 [0,2,0,0,0,0|2,0,0]=4 1327 B11R0.142 C=CCCCO[C@H](C)C(=O)OC f240e561be61c0516ae7ec45ac0a017b [0,2,0,0,0,0|2,0,0]=4 1328 B11R0.142 C=CCCNCC(C)C(=O)OC 2079d9fb63554492e459416d8f2c5d32 [0,2,0,0,0,0|2,0,0]=4 1329 B11R0.142 C=CCCNCC(O)C(=O)OC 658630bef23005b57e02821740cfda5d [0,2,0,0,0,0|2,0,0]=4 1330 B11R0.142 C=CCCNC[C@@H](C)C(=O)OC 251a49806776709d9898b0bfc7ea30bd [0,2,0,0,0,0|2,0,0]=4 1331 B11R0.142 C=CCCNC[C@H](C)C(=O)OC 8e44cbbd67c443711e3b75485ea0513f [0,2,0,0,0,0|2,0,0]=4 1332 B11R0.142 C=CCCOCC(C)C(=O)OC bc623d4852a4d0b8abbbe68a4a5fb8ab [0,2,0,0,0,0|1,1,0]=4 1333 B11R0.142 C=CCCOCC(F)C(=O)OC 67a18bafbbabc8c0a0bd720d40998fd4 [0,2,0,0,0,0|1,1,0]=4 1334 B11R0.142 C=CCCOC[C@@H](C)C(=O)OC 18b004cd52edfee204fdc125e9d47611 [0,2,0,0,0,0|1,1,0]=4 1335 B11R0.142 C=CCCOC[C@H](C)C(=O)OC 5b746b632a33b92b4026579f14b23d7d [0,2,0,0,0,0|1,1,0]=4 1336 B11R0.142 CC=CCNCC(C)C(=O)OC 011dc6317ea7a63e91697f59273b7a63 [0,2,0,0,0,0|2,0,0]=4 1337 B11R0.142 CC=CCNCC(O)C(=O)OC ace08c50bb48da9ec7f2eb37dd12fa38 [0,2,0,0,0,0|2,0,0]=4 1338 B11R0.142 CC=CCNC[C@@H](C)C(=O)OC d0f78f6d8510bda4c16ed4b87f393bc0 [0,2,0,0,0,0|2,0,0]=4 1339 B11R0.142 CC=CCNC[C@H](C)C(=O)OC 3dde35ca506bd73f9c43bde6df8e3cfa [0,2,0,0,0,0|2,0,0]=4 1340 B11R0.142 CC=CCOCC(C)C(=O)OC f1fc7caa6bec924438d15e2e115c8e01 [0,2,0,0,0,0|1,1,0]=4 1341 B11R0.142 CC=CCOC[C@@H](C)C(=O)OC 9f124946d6b63c8a8807d42b7863915a [0,2,0,0,0,0|1,1,0]=4 1342 B11R0.142 CC=CCOC[C@H](C)C(=O)OC e05c67f8dba70218029ee04aab2c4e32 [0,2,0,0,0,0|1,1,0]=4 1343 B11R0.142 COC(=O)C(C)CNC/C=C/Cl 833241c49404b1a000bf6d4955e8ecb4 [0,2,0,0,0,0|2,0,0]=4 1344 B11R0.142 COC(=O)C(C)CNC/C=C\Cl 2258e54008b5642ab0ad3c7d13ffd3bf [0,2,0,0,0,0|2,0,0]=4 1345 B11R0.142 COC(=O)C(C)CNC/C=C\O 317d23f875036a10c44a7ac551f3ad4a [0,2,0,0,0,0|2,0,0]=4 1346 B11R0.142 COC(=O)C(C)COC/C=C/Cl 02deecfab7f3703030722a33ce2bd654 [0,2,0,0,0,0|1,1,0]=4 1347 B11R0.142 COC(=O)C(C)COC/C=C\Cl 7c56a4bf2225cb75a50f2279db596251 [0,2,0,0,0,0|1,1,0]=4 1348 B11R0.142 COC(=O)C(C)COCC=CCl 964206a05b648200f162e1a5ddf92b6f [0,2,0,0,0,0|1,1,0]=4 1349 B11R0.142 COC(=O)C(F)COC/C=C/Cl 5a131572cd99eea0fe2999a14f0cb32a [0,2,0,0,0,0|1,1,0]=4 1350 B11R0.142 COC(=O)C(F)COC/C=C\Cl b2df10e973ac5ce7b4590f84e5bcd059 [0,2,0,0,0,0|1,1,0]=4 1351 B11R0.142 COC(=O)[C@@H](C)COC/C=C/Cl cfee0655e96c1b3c4bb1c3e15b72c52e [0,2,0,0,0,0|1,1,0]=4 1352 B11R0.142 COC(=O)[C@@H](C)COC/C=C\Cl 47ee758b3e65c9b41bb39ea0b66c3128 [0,2,0,0,0,0|1,1,0]=4 1353 B11R0.142 COC(=O)[C@@H](C)COCC=CCl 40f5e1bd6971d801493e6858d2838485 [0,2,0,0,0,0|1,1,0]=4 1354 B11R0.142 COC(=O)[C@H](C)COC/C=C/Cl 94214d330300e52be370de59f3b5e24e [0,2,0,0,0,0|1,1,0]=4 1355 B11R0.142 COC(=O)[C@H](C)COC/C=C\Cl 64096f1152090e68582dc65e9608d2ba [0,2,0,0,0,0|1,1,0]=4 1356 B11R0.142 COC(=O)[C@H](C)COCC=CCl c954d42297c027bf3cd24eb5d10209c3 [0,2,0,0,0,0|1,1,0]=4 1357 B11R0.92 C=CC(C)OC(C)C(C)C(=O)O 4845b35c4eec1ec6fb250877ef1c3cfd [0,2,0,0,0,0|1,1,0]=4 1358 B11R0.173 C=C(C)COC(C)C(C)C(=O)O 09c582bc9cf69c5fbd05f5cb52c610bb [0,2,0,0,0,0|1,1,0]=4 1359 B11R0.173 C=C(Cl)COC(C)C(C)C(=O)O ace63e95d0637fb46a26e7bce151f9f9 [0,2,0,0,0,0|1,1,0]=4 1360 B11R0.173 C=C(F)COC(C)C(C)C(=O)O 98e98eb3146f07defdef6581a3fdd071 [0,2,0,0,0,0|1,1,0]=4 1361 B11R0.238 C=CCNC(C)C(CC)C(=O)O ea5395e166e7e2653854bde589c56073 [0,2,0,0,0,0|2,0,0]=4 1362 B11R0.21 C#CC(C=C)OCC(C)C(=O)O 964416acff6aa6a7816ac9c8d63793f7 [0,2,0,0,0,0|1,1,0]=4 1363 B11R0.21 C=CC(C=C)OCC(C)C(=O)O 0978f8a3395272dc3b8733915e3ecac7 [0,2,0,0,0,0|1,1,0]=4 1364 B11R0.21 C=CC(CC)OCC(C)C(=O)O 8508a15ecf0e48e16f3953323c86e386 [0,2,0,0,0,0|1,1,0]=4 1365 B11R0.21 C=C[C@@H](CO)NCC(C)C(=O)O 581ff12db4a58eac3d0f96a502145837 [0,2,0,0,0,0|2,0,0]=4 1366 B11R0.21 C=C[C@@H](CO)NCC(O)C(=O)O 5c83d106d77fee36006a931536dfd6f6 [0,2,0,0,0,0|2,0,0]=4 1367 B11R0.21 C=C[C@@H](CO)NC[C@H](O)C(=O)O 58f975efdad6ee77c8985a9e09ec94ea [0,2,0,0,0,0|2,0,0]=4 1368 B11R0.90 C=CC(C)NCC(C#N)C(=O)O 4838c55e0f2e5f8a1a9eb3094f130b8b [0,2,0,0,0,0|1,0,1]=4 1369 B11R0.90 C=CC(C)NC[C@H](CC)C(=O)O ca7320405bf8240668d9a7ef12ccc1ef [0,2,0,0,0,0|2,0,0]=4 1370 B11R0.90 C=CC(C)NC[C@H](CO)C(=O)O 5000ab5c4e78dd0f6e061427487a22ab [0,2,0,0,0,0|2,0,0]=4 1371 B11R0.120 C=CC(C)NCC(C)C(=O)OC 8013c4dc3f7430ee314c00e2088c2a4f [0,2,0,0,0,0|2,0,0]=4 1372 B11R0.120 C=CC(C)NCC(O)C(=O)OC 239e42efb84a1c9a09ec2e9127227638 [0,2,0,0,0,0|2,0,0]=4 1373 B11R0.120 C=CC(C)NC[C@@H](C)C(=O)OC f884b1148a3d86a2e5b24c8426b7d1f5 [0,2,0,0,0,0|2,0,0]=4 1374 B11R0.120 C=CC(C)NC[C@H](C)C(=O)OC cc774b44ece922840990f40b8a46d3ac [0,2,0,0,0,0|2,0,0]=4 1375 B11R0.120 C=CC(C)OCC(C)C(=O)OC d14d9f208a5d63a30360c09de621cf67 [0,2,0,0,0,0|1,1,0]=4 1376 B11R0.120 C=CC(C)OCC(F)C(=O)OC e42700ea9f289c0da156f2c578c283b1 [0,2,0,0,0,0|1,1,0]=4 1377 B11R0.120 C=CC(C)OC[C@@H](C)C(=O)OC 02598dca6826941935e4815abaf80deb [0,2,0,0,0,0|1,1,0]=4 1378 B11R0.120 C=CC(C)OC[C@H](C)C(=O)OC 2c4cddb98104767d196f96564bdf4b4c [0,2,0,0,0,0|1,1,0]=4 1379 B11R0.120 C=C[C@H](C)OCC(C)C(=O)OC 71c9dc532b66fcfcb17187593bc607ad [0,2,0,0,0,0|1,1,0]=4 1380 B11R0.120 C=C[C@H](C)OC[C@@H](C)C(=O)OC 01626173e2513dbcc9f3d262d695b1d9 [0,2,0,0,0,0|1,1,0]=4 1381 B11R0.120 C=C[C@H](C)OC[C@H](C)C(=O)OC ef3a98335c1b259ed1426383aef65190 [0,2,0,0,0,0|1,1,0]=4 1382 B11R0.75 C=CCOCC(CC)C(=O)OC 2a368c5be381513476f6dd2651844124 [0,2,0,0,0,0|1,1,0]=4 1383 B11R0.145 C=C(Br)CNCC(C)C(=O)OC 5ff8f002f630876612a217ab306938a7 [0,2,0,0,0,0|2,0,0]=4 1384 B11R0.145 C=C(Br)CNCC(O)C(=O)OC 0703f02b66ff2f1dd8855cb0490324b5 [0,2,0,0,0,0|2,0,0]=4 1385 B11R0.145 C=C(Br)CNC[C@@H](C)C(=O)OC 05109e533493d2422d8a365e3714b95b [0,2,0,0,0,0|2,0,0]=4 1386 B11R0.145 C=C(Br)CNC[C@H](C)C(=O)OC 16f3b8c290f86643cd4f47cfec9ec1bd [0,2,0,0,0,0|2,0,0]=4 1387 B11R0.145 C=C(Br)COCC(C)C(=O)OC 0824f854e05aa5ff09b2ce79707a9b5b [0,2,0,0,0,0|1,1,0]=4 1388 B11R0.145 C=C(Br)COCC(F)C(=O)OC 02730eb945460d521b4f1b270411b273 [0,2,0,0,0,0|1,1,0]=4 1389 B11R0.145 C=C(Br)COC[C@@H](C)C(=O)OC 015ea80f8fba60a8e7559a458f12fdb2 [0,2,0,0,0,0|1,1,0]=4 1390 B11R0.145 C=C(Br)COC[C@H](C)C(=O)OC 499190cb32134e4ae3a9a4da6f8a121b [0,2,0,0,0,0|1,1,0]=4 1391 B11R0.145 C=C(C)CNCC(C)C(=O)OC 9fba600484419aac7b5f9655afcae391 [0,2,0,0,0,0|2,0,0]=4 1392 B11R0.145 C=C(C)CNCC(O)C(=O)OC f83057effa669a70166dde3a5eaf7af3 [0,2,0,0,0,0|2,0,0]=4 1393 B11R0.145 C=C(C)CNC[C@@H](C)C(=O)OC b909877ecbb18ddc1c8188c37e830019 [0,2,0,0,0,0|2,0,0]=4 1394 B11R0.145 C=C(C)CNC[C@H](C)C(=O)OC fe797a8e197f72ec964c083dda110274 [0,2,0,0,0,0|2,0,0]=4 1395 B11R0.145 C=C(C)COCC(C)C(=O)OC 8a2e2e97fdc1791f223816c003a30cd1 [0,2,0,0,0,0|1,1,0]=4 1396 B11R0.145 C=C(C)COCC(F)C(=O)OC f4757eb0091b16ea4ba2fd6570744eeb [0,2,0,0,0,0|1,1,0]=4 1397 B11R0.145 C=C(C)COC[C@@H](C)C(=O)OC 3ac73c2d0fb8cbc1ed5be0bc8a6d1b9b [0,2,0,0,0,0|1,1,0]=4 1398 B11R0.145 C=C(C)COC[C@H](C)C(=O)OC 33bb779e9e5dae96d8deec7a26839d69 [0,2,0,0,0,0|1,1,0]=4 1399 B11R0.145 C=C(Cl)CNCC(C)C(=O)OC 00da1f2bb1e1462ef53f3cc015f55a17 [0,2,0,0,0,0|2,0,0]=4 1400 B11R0.145 C=C(Cl)COCC(C)C(=O)OC 13681f60634a9ca5db8f3aed0e9e680a [0,2,0,0,0,0|1,1,0]=4 1401 B11R0.145 C=C(Cl)COCC(F)C(=O)OC a969f30eac6986fffe7c1296aab8dfc0 [0,2,0,0,0,0|1,1,0]=4 1402 B11R0.145 C=C(Cl)COC[C@@H](C)C(=O)OC 20e2caf450b4fae2b66127554117308e [0,2,0,0,0,0|1,1,0]=4 1403 B11R0.145 C=C(Cl)COC[C@H](C)C(=O)OC 294ee2ffaef056483ed265ba144d307f [0,2,0,0,0,0|1,1,0]=4 1404 B11R0.145 C=C(F)CNCC(C)C(=O)OC 45f20fb3d07abb5330f86ef7e7b50359 [0,2,0,0,0,0|2,0,0]=4 1405 B11R0.145 C=C(F)COCC(C)C(=O)OC cb5020522b1ab0419ab4e7accd2afd10 [0,2,0,0,0,0|1,1,0]=4 1406 B11R0.145 C=C(F)COCC(F)C(=O)OC 915e8c10c95d0686367fe1938bce1922 [0,2,0,0,0,0|1,1,0]=4 1407 B11R0.145 C=C(F)COC[C@@H](C)C(=O)OC b4a7cd6a9dd6cd2fbdf9d4a5f78cd388 [0,2,0,0,0,0|1,1,0]=4 1408 B11R0.145 C=C(F)COC[C@H](C)C(=O)OC 9c5a577fe15d23b642ad7de13878d5d2 [0,2,0,0,0,0|1,1,0]=4 1409 B11R0.145 C=C(I)COCC(C)C(=O)OC 86495c97e08fd83935c1cb784ba82e2e [0,2,0,0,0,0|1,1,0]=4 1410 B11R0.145 C=C(I)COC[C@@H](C)C(=O)OC 64ec1d78522cbd35bdc8058ef1c79a18 [0,2,0,0,0,0|1,1,0]=4 1411 B11R0.145 C=C(I)COC[C@H](C)C(=O)OC febcc6cc37ba263166631faf2e2c39b8 [0,2,0,0,0,0|1,1,0]=4 1412 B11R0.155 C=CCNCC(C)C(=O)OCC 3137c8befb1598cf03c302e28e053d25 [0,2,0,0,0,0|2,0,0]=4 1413 B11R0.155 C=CCOCC(C)C(=O)OCC 8c06839295c5aa504d22533416940c8a [0,2,0,0,0,0|1,1,0]=4 1414 B11R0.78 C#CCSC[C@H](NCC)C(=O)O 196a4610505a9f44e5d92a1ac9083933 [0,2,0,0,0,0|0,0,2]=4 1415 B11R0.78 C#CCSC[C@H](NCF)C(=O)O bef42bef5298a846af6990697de7eed6 [0,2,0,0,0,0|0,0,2]=4 1416 B11R0.78 C#CCSC[C@H](NCO)C(=O)O ca360077d7bcc352c5dfb798ed0c0795 [0,2,0,0,0,0|0,0,2]=4 1417 B11R0.78 C/C=C/SC[C@H](NCC)C(=O)O aa1df95316a636c91748cf25aa7548fe [0,2,0,0,0,0|0,0,2]=4 1418 B11R0.78 C/C=C/SC[C@H](NCF)C(=O)O 16c25dc188f33fb5eaf577153f175925 [0,2,0,0,0,0|0,0,2]=4 1419 B11R0.78 C/C=C/SC[C@H](NCO)C(=O)O 011b45d86251b32d90adabf53ed19655 [0,2,0,0,0,0|0,0,2]=4 1420 B11R0.78 C=CCCCC(NCC)C(=O)O 58fbc95716dc070d2f72f76fdd8783c6 [0,2,0,0,0,0|1,0,0]=3 1421 B11R0.78 C=CCCCC(NCF)C(=O)O fc1af4d09b9b7160c83115d19a179445 [0,2,0,0,0,0|1,0,0]=3 1422 B11R0.78 C=CCCCC(NCO)C(=O)O e62846a7703f35eb9579bae2c26011d3 [0,2,0,0,0,0|1,0,0]=3 1423 B11R0.78 C=CCCC[C@@H](NCC)C(=O)O 490c438dc4504c0f95b47e154eb68ab8 [0,2,0,0,0,0|1,0,0]=3 1424 B11R0.78 C=CCCC[C@@H](NCF)C(=O)O 08e42cc5ddc8f256f6a80f65accde337 [0,2,0,0,0,0|1,0,0]=3 1425 B11R0.78 C=CCCC[C@@H](NCO)C(=O)O dcdc9cab914efb3d24fc52e428a51b9e [0,2,0,0,0,0|1,0,0]=3 1426 B11R0.78 C=CCCC[C@H](NCC)C(=O)O da9d6f4bf250620da7b2652e342b6356 [0,2,0,0,0,0|1,0,0]=3 1427 B11R0.78 C=CCCC[C@H](NCF)C(=O)O c3c6d9a7cb0c7565b272894037b0e94c [0,2,0,0,0,0|1,0,0]=3 1428 B11R0.78 C=CCCC[C@H](NCO)C(=O)O 07ad67b6f03bf3df0670008ba2d7c93c [0,2,0,0,0,0|1,0,0]=3 1429 B11R0.78 C=CCNCC(CCC)C(=O)O d1e9b927857d99881f639392ab5cfab4 [0,2,0,0,0,0|2,0,0]=4 1430 B11R0.78 C=CCNC[C@H](CCC)C(=O)O c7129963b9287eb2edba30884d6d0acb [0,2,0,0,0,0|2,0,0]=4 1431 B11R0.78 C=CCOC[C@@H](CCC)C(=O)O 21e447f6d96f84afd8b44cf3981b4af5 [0,2,0,0,0,0|1,1,0]=4 1432 B11R0.78 C=CCSCC(NCC)C(=O)O 36346ffb921661f5a7199cbb86d8d4a0 [0,2,0,0,0,0|0,0,0]=2 1433 B11R0.78 C=CCSCC(NCF)C(=O)O 1b0ab562ad98143922e0422fcbd8cae5 [0,2,0,0,0,0|0,0,0]=2 1434 B11R0.78 C=CCSCC(NCO)C(=O)O 81a868d58b02def23ca43df3ff7067a2 [0,2,0,0,0,0|0,0,0]=2 1435 B11R0.78 C=CCSC[C@@H](NCC)C(=O)O b8a8c7a6f5c583e93b0943bf7764308f [0,2,0,0,0,0|0,0,0]=2 1436 B11R0.78 C=CCSC[C@@H](NCF)C(=O)O d8e1c34d32e3c7bfa4e2fd7e3c0ae9c7 [0,2,0,0,0,0|0,0,0]=2 1437 B11R0.78 C=CCSC[C@@H](NCO)C(=O)O 54b41c13aba5fd0444f95e09ae209ec2 [0,2,0,0,0,0|0,0,0]=2 1438 B11R0.78 C=CCSC[C@H](NCC)C(=O)O d99cb55cff13766bb8f6dd7a9d2a914d [0,2,0,0,0,0|0,0,0]=2 1439 B11R0.78 C=CCSC[C@H](NCF)C(=O)O 3388ad09689f76224891dfc4810079b9 [0,2,0,0,0,0|0,0,0]=2 1440 B11R0.78 C=CCSC[C@H](NCO)C(=O)O 3290b0e13120b8972e6d9f4b90d1a645 [0,2,0,0,0,0|0,0,0]=2 1441 B11R0.78 CCCSCC(NCC)C(=O)O e01db16fdf9e3d9f76908a9c6c0092fc [0,2,0,0,0,0|0,0,2]=4 1442 B11R0.78 CCCSCC(NCF)C(=O)O 1140f2dd50001dcc9d980dff01fc032c [0,2,0,0,0,0|0,0,2]=4 1443 B11R0.78 CCCSCC(NCO)C(=O)O 08f31d14c459efa9820d6b540b1f7e68 [0,2,0,0,0,0|0,0,2]=4 1444 B11R0.78 CCNC(CSCCO)C(=O)O d20dc87435027f02be7927206ca6886f [0,2,0,0,0,0|1,0,1]=4 1445 B11R0.78 CCN[C@@H](CSCCO)C(=O)O 4f70a8c6e94e5e9fe5dc70d4dc9fe525 [0,2,0,0,0,0|1,0,1]=4 1446 B11R0.78 O=C(O)C(CSCCO)NCF a4351df9105779815e78d85691a4fd1f [0,2,0,0,0,0|1,0,1]=4 1447 B11R0.78 O=C(O)C(CSCCO)NCO 3e6c600ac1c900a94d342da83ad57f42 [0,2,0,0,0,0|1,0,1]=4 1448 B11R0.78 O=C(O)[C@H](CSCCO)NCF 3e141581eb8aa19b8fd147ee7e63623e [0,2,0,0,0,0|1,0,1]=4 1449 B11R0.78 O=C(O)[C@H](CSCCO)NCO 325d3a9e88498315b4a65dded9096ee2 [0,2,0,0,0,0|1,0,1]=4 1450 B11R0.153 C=CCNC[C@@H](C(=O)O)C(C)C 4bf8f3877380a469521d8a4efb43737d [0,2,0,0,0,0|2,0,0]=4 1451 B11R0.153 C=CCNC[C@H](C(=O)O)C(C)C 104e723b861fc186d5838afc64f83fa0 [0,2,0,0,0,0|2,0,0]=4 1452 B11R0.153 C=CCOCC(C(=O)O)N(C)C f1f58bd1595d71e04113c9b383e24d38 [0,2,0,0,0,0|0,1,0]=3 1453 B11R0.153 C=CCOC[C@@H](C(=O)O)N(C)C fa22f43013f40c7b82daaa00f9dc0d68 [0,2,0,0,0,0|0,1,0]=3 1454 B11R0.153 C=CCOC[C@H](C(=O)O)C(C)C 923fddde79d43ac975b1dbb7a65aecbc [0,2,0,0,0,0|1,1,0]=4 1455 B11R0.153 CN(C)C(COCC=O)C(=O)O f7b420ff323aca86244bf0d4a1552aea [0,2,0,0,0,0|1,1,0]=4 1456 B11R0.153 CN(C)[C@@H](COCC=O)C(=O)O aa2f857e155f02643aaf050691d5d0d7 [0,2,0,0,0,0|1,1,0]=4 1457 B11R0.273 C=C(Br)CNCC(C#N)C(=O)O db621adafe8cb80ffef886e2f3f23b6f [0,2,0,0,0,0|1,0,1]=4 1458 B11R0.273 C=C(Br)CNC[C@H](CC)C(=O)O db5c2675cba72af4ed09a2aed89612d7 [0,2,0,0,0,0|2,0,0]=4 1459 B11R0.273 C=C(Br)CNC[C@H](CO)C(=O)O a0207275d3751e6dba6ee262c76a4cc5 [0,2,0,0,0,0|2,0,0]=4 1460 B11R0.273 C=C(C)CNCC(C#N)C(=O)O ed054e324a38d343485972d6c1e18cd9 [0,2,0,0,0,0|1,0,1]=4 1461 B11R0.273 C=C(C)CNC[C@H](CC)C(=O)O 86edca76374b56160b30a27cfe5b9e70 [0,2,0,0,0,0|2,0,0]=4 1462 B11R0.273 C=C(C)CNC[C@H](CO)C(=O)O 40ee49ab9bb19f188c067c6d95912061 [0,2,0,0,0,0|2,0,0]=4 1463 B11R0.273 C=C(Cl)CNCC(C#N)C(=O)O dd0ab8e9a1ef2a291c48d23da5baaef8 [0,2,0,0,0,0|1,0,1]=4 1464 B11R0.273 C=C(Cl)CNC[C@H](CC)C(=O)O 08091075ef262829a4acf7b88c8b7d77 [0,2,0,0,0,0|2,0,0]=4 1465 B11R0.273 C=C(Cl)CNC[C@H](CO)C(=O)O 4f9f51fe7a1f2e3c38f1115ed06bd486 [0,2,0,0,0,0|2,0,0]=4 1466 B11R0.273 C=C(F)CNCC(C#N)C(=O)O 5e81a1a8754b03cde9b0a9b12db0274b [0,2,0,0,0,0|1,0,1]=4 1467 B11R0.273 C=C(F)CNC[C@H](CC)C(=O)O b495139c86d5e674930d750ce8ae4e4b [0,2,0,0,0,0|2,0,0]=4 1468 B11R0.273 C=C(F)CNC[C@H](CO)C(=O)O 9c14a15e67eb7ee079d57f6c242ee8a9 [0,2,0,0,0,0|2,0,0]=4 1469 B9R1.9 C=CCOC1CC(=O)C1 7de215d1c77aed4029f1383fe77bcec3 [1,0,0,1,0,0|1,1,0]=4 1470 B11R1.27 C=CCOCC1COC(=O)C1 4d992c5c8d10a30a1ee18f58189b0e91 [0,0,0,1,0,1|1,1,0]=4 1471 B11R1.120 C=CCN1CC(C1)CC(=O)O 26e0ee10b630881500bdb44eb02ecf5b [0,0,0,1,0,1|2,0,0]=4 1472 B11R1.230 C=CCOC1OC(=O)CC1C 82fb875d7c4fb72ee492ed04463e54ab [0,0,0,1,0,1|1,1,0]=4 1473 B11R1.475 C=CCN1C[C@H]([C@H]1C(=O)O)C ea8b280c82401c43878a470612ea6294 [0,0,0,1,0,1|2,0,0]=4 1474 B11R1.753 C=CCNC[C@@H]1C[C@H]1C(=O)O ee7ed553fba326c0918d4aa0d0d31968 [0,0,0,1,0,1|2,0,0]=4 1475 B11R1.753 C=CCOCC1CC1C(=O)O a86cd3991de6350ab6407520f2674b2a [0,0,0,1,0,1|1,1,0]=4 1476 B11R1.753 C=CCOC[C@@H]1C[C@H]1C(=O)O 210fccbcd2b9a92b54af183b757a9f00 [0,0,0,1,0,1|1,1,0]=4 1477 B11R1.753 C=CCOC[C@H]1C[C@@H]1C(=O)O 819349af3658b85209beb2a987606b96 [0,0,0,1,0,1|1,1,0]=4 1478 B11R1.753 C=CCOC[C@H]1C[C@H]1C(=O)O 85397cc3cb29dc2a73dd968976888551 [0,0,0,1,0,1|1,1,0]=4 1479 B11R1.35 CC(CN1CC=CC1)C(=O)O 576e6e92b161329caf2a54b45a557384 [0,1,0,1,0,0|2,0,0]=4 1480 B11R1.35 CC(OC1C=CCC1)C(=O)O 210b4ba29b1c7ce5eaa21837c167db33 [0,1,0,1,0,0|2,0,0]=4 1481 B11R1.35 C[C@@H](OC1C=CCC1)C(=O)O 5a6a84d858d5ad5c24e29b0acfc0939e [0,1,0,1,0,0|2,0,0]=4 1482 B11R1.35 C[C@H](OC1C=CCC1)C(=O)O 93fc09f4cdce49719dbf6c468c049302 [0,1,0,1,0,0|2,0,0]=4 1483 B11R1.35 O=C(O)C(F)OC1C=CCC1 f12dcd812abb16da168f01b519a134ca [0,1,0,1,0,0|2,0,0]=4 1484 B11R1.35 O=C(O)C(O)CN1CC=CC1 1f2f79eb173cca9755d3854ebae028a5 [0,1,0,1,0,0|2,0,0]=4 1485 B11R1.35 O=C(O)[C@@H](O)CN1CC=CC1 6415464d856533d45df909fc50018005 [0,1,0,1,0,0|2,0,0]=4 1486 B11R1.35 O=C(O)[C@H](F)OC1C=CCC1 e252635943a4fc540865f52306383933 [0,1,0,1,0,0|2,0,0]=4 1487 B11R1.124 C=CCN1CCC(C1)C(=O)O b11ba1109dddb92040f180d0a7bc9fc7 [0,1,0,1,0,0|2,0,0]=4 1488 B11R1.124 C=CCN1CC[C@@H](C1)C(=O)O c79dbf44194b1380263636bd224cac0a [0,1,0,1,0,0|2,0,0]=4 1489 B11R1.124 C=CCN1CC[C@H](C1)C(=O)O b668e1ff897d856065f06614083d065d [0,1,0,1,0,0|2,0,0]=4 1490 B11R1.291 C=CCN(C)CC1COC1=O ab2e7de686649481eed449b3dba9b6ea [0,1,0,1,0,0|2,0,0]=4 1491 B11R1.816 C=CCN(C)[C@@H]1C[C@@H]1C(=O)O 67c285a63d5451849936b33ea8bcf698 [0,1,0,1,0,0|2,0,0]=4 1492 B11R1.816 C=CCN(C)[C@H]1C[C@@H]1C(=O)O 3a960e93c68398fde4015a51e83c6df1 [0,1,0,1,0,0|2,0,0]=4 1493 B11R1.816 C=CCN(C)[C@H]1C[C@H]1C(=O)O 169349768b5283643e06dd17709fbe3f [0,1,0,1,0,0|2,0,0]=4 1494 B11R1.1257 C=CCN1CC(C1)(C)C(=O)O 91735d22f988a785ba8d18e429327438 [0,1,0,1,0,0|2,0,0]=4 1495 B11R1.1257 C=CCN1CC(C1)(F)C(=O)O 3e9694477576e45e33d96fa5689e0716 [0,1,0,1,0,0|2,0,0]=4 1496 B11R1.1257 C=CCN1CC(C1)(O)C(=O)O 7c30137848cb51d2ea61c1c86404c602 [0,1,0,1,0,0|2,0,0]=4 1497 B11R1.991 C=CCOCC1(CC1)C(=O)O ec3ef191eaef7136a491f5d013fa8ccd [0,1,0,1,0,0|1,1,0]=4 1498 B11R1.190 C/C=C/COCC1COC1=O 9d47f5184be1d309992c7320941f2017 [0,1,0,1,0,0|1,1,0]=4 1499 B11R1.190 C/C=C\COCC1COC1=O acf8f6c0408bb37014f2eb37a0e3e78d [0,1,0,1,0,0|1,1,0]=4 1500 B11R1.190 C=CCCNCC1COC1=O 574da008957820b929b32f8fbf038a80 [0,1,0,1,0,0|2,0,0]=4 1501 B11R1.190 C=CCCOCC1COC1=O c4260ff6bd4aa91a0803d42d87a56250 [0,1,0,1,0,0|1,1,0]=4 1502 B11R1.190 CC=CCNCC1COC1=O bc8b304e10758af023528e9f413e0c8b [0,1,0,1,0,0|2,0,0]=4 1503 B11R1.190 CC=CCOCC1COC1=O 95c67128c99bab8278efb1f19935befa [0,1,0,1,0,0|1,1,0]=4 1504 B11R1.190 O=C1OCC1COC/C=C/Cl 413da41b4bf3625d0a751a668a5abb08 [0,1,0,1,0,0|1,1,0]=4 1505 B11R1.190 O=C1OCC1COCC=CCl c3bdf57f3fd0a4177f09579d294f46b9 [0,1,0,1,0,0|1,1,0]=4 1506 B11R1.211 C/C=C/CN1CC(C1)C(=O)O febd20d072b15cf91cb394fc0db72625 [0,1,0,1,0,0|2,0,0]=4 1507 B11R1.211 C/C=C\CN1CC(C1)C(=O)O ac883bdef2d438b7a0f29b0022e8cbdd [0,1,0,1,0,0|2,0,0]=4 1508 B11R1.211 C=CCCN1CC(C1)C(=O)O 0da0304de4f032b2859a506cea8aa939 [0,1,0,1,0,0|2,0,0]=4 1509 B11R1.211 C=CCNC1CC(C1)C(=O)O e86eec1befd846ef0f6d79288536471d [0,1,0,1,0,0|2,0,0]=4 1510 B11R1.211 C=CCN[C@H]1C[C@@H](C1)C(=O)O 7d43b360ca2b72ecbeab339407ac0fa6 [0,1,0,1,0,0|2,0,0]=4 1511 B11R1.211 C=CCN[C@H]1C[C@H](C1)C(=O)O ac0e15e3a57eac9e2a93e631f07849fb [0,1,0,1,0,0|2,0,0]=4 1512 B11R1.211 C=CCOC1CC(C1)C(=O)O 33e7d6d10d13271ad0cd28bed62c9a28 [0,1,0,1,0,0|1,1,0]=4 1513 B11R1.211 C=CCO[C@H]1C[C@@H](C1)C(=O)O 4d665493b5acf39861d08c740928a3e2 [0,1,0,1,0,0|1,1,0]=4 1514 B11R1.211 C=CCO[C@H]1C[C@H](C1)C(=O)O 12b9bae06a1d18ece8233d12aaa2e8d2 [0,1,0,1,0,0|1,1,0]=4 1515 B11R1.211 O=C(O)C1CN(C1)C/C=C/Cl e6111d16a552b50fb652176963257199 [0,1,0,1,0,0|2,0,0]=4 1516 B11R1.211 O=C(O)C1CN(C1)C/C=C\Cl 6c2161fceabee8faea2db7d964c902b9 [0,1,0,1,0,0|2,0,0]=4 1517 B11R1.211 O=C(O)C1CN(C1)C/C=C\O 5f1e43bc6d1aaca1d6cf98b7497bb496 [0,1,0,1,0,0|2,0,0]=4 1518 B11R1.204 C=CCN[C@H]1CC[C@H]1C(=O)O 8f5a4dfe70cb453f3cd215bc3b6f95fc [0,1,0,1,0,0|2,0,0]=4 1519 B11R1.204 C=CCOC1CCC1C(=O)O f1210f669823cfa5232670161cd9f884 [0,1,0,1,0,0|1,1,0]=4 1520 B11R1.204 C=CCO[C@H]1CC[C@@H]1C(=O)O 48f9497300149ef9047ffe8c76ded960 [0,1,0,1,0,0|1,1,0]=4 1521 B11R1.477 C=CCN1CC(C1C)C(=O)O 17a01e60756ad5963cf0febbcce71966 [0,1,0,1,0,0|2,0,0]=4 1522 B11R1.477 C=CCN1C[C@H]([C@@H]1C)C(=O)O ddd223266da9d459493279f9b4d4d7cd [0,1,0,1,0,0|2,0,0]=4 1523 B11R1.223 C=CC(C)NCC1COC1=O de552d780029d5b0f819f60be3f5571d [0,1,0,1,0,0|2,0,0]=4 1524 B11R1.223 C=CC(C)OCC1COC1=O 8406ab512d6eccf86d8688e8f689b337 [0,1,0,1,0,0|1,1,0]=4 1525 B11R1.223 C=C[C@H](C)OCC1COC1=O cd304c48266f0bffbfa75af6f6f3e135 [0,1,0,1,0,0|1,1,0]=4 1526 B11R1.853 C=CC(C)N1CC(C1)C(=O)O 918437d60f48084682d4ec12143e079c [0,1,0,1,0,0|2,0,0]=4 1527 B11R1.892 C=CC(C)N[C@@H]1C[C@@H]1C(=O)O 2c535c66b654267ac6cafa7411d16ad6 [0,1,0,1,0,0|2,0,0]=4 1528 B11R1.892 C=CC(C)N[C@H]1C[C@@H]1C(=O)O ac152eff502a355ecceca82b917dcb5c [0,1,0,1,0,0|2,0,0]=4 1529 B11R1.892 C=CC(C)N[C@H]1C[C@H]1C(=O)O 307769db7e656dc6b63c03f726bf3f55 [0,1,0,1,0,0|2,0,0]=4 1530 B11R1.892 C=CC(C)O[C@@H]1C[C@@H]1C(=O)O d9b515736ab743ee1c80a0d60fcc13b3 [0,1,0,1,0,0|1,1,0]=4 1531 B11R1.892 C=CC(C)O[C@H]1C[C@@H]1C(=O)O 693e83352e8193925a413e28c9895c38 [0,1,0,1,0,0|1,1,0]=4 1532 B11R1.892 C=CC(C)O[C@H]1C[C@H]1C(=O)O bf66ac43d4ee07d5bc97fbab8243c0ff [0,1,0,1,0,0|1,1,0]=4 1533 B11R1.892 C=C[C@H](C)O[C@@H]1C[C@@H]1C(=O)O 060550f9de8ac1a19f514727ff9c8ee2 [0,1,0,1,0,0|1,1,0]=4 1534 B11R1.892 C=C[C@H](C)O[C@H]1C[C@@H]1C(=O)O a3cd77911d1f2021244ee226ccd6b0c7 [0,1,0,1,0,0|1,1,0]=4 1535 B11R1.892 C=C[C@H](C)O[C@H]1C[C@H]1C(=O)O c340e341c3f40e69a176ecac90ad61b5 [0,1,0,1,0,0|1,1,0]=4 1536 B11R1.121 C=CCN1CC(C1)C(=O)OC 5ef5dcec0319b116acdcb43d05e43a2d [0,1,0,1,0,0|2,0,0]=4 1537 B11R1.161 C=C(Br)CNCC1COC1=O e2073eec5e9f9fe118cc291b9eeb3fb5 [0,1,0,1,0,0|2,0,0]=4 1538 B11R1.161 C=C(Br)COCC1COC1=O b3548957c359c50898ab3ae20b8ccad2 [0,1,0,1,0,0|1,1,0]=4 1539 B11R1.161 C=C(C)CNCC1COC1=O fae27d9a9fe99ba85c74b3be693de3eb [0,1,0,1,0,0|2,0,0]=4 1540 B11R1.161 C=C(C)COCC1COC1=O 0f9242f309fbf823e709ee90b28f30bb [0,1,0,1,0,0|1,1,0]=4 1541 B11R1.161 C=C(Cl)COCC1COC1=O 08db2ec83d54f90978c3958d55c5f81f [0,1,0,1,0,0|1,1,0]=4 1542 B11R1.161 C=C(F)COCC1COC1=O 984452253d0f1fcfced4c59c42cf3f0d [0,1,0,1,0,0|1,1,0]=4 1543 B11R1.161 C=C(I)COCC1COC1=O 8d590f7003e865b13a32d88b08a2770f [0,1,0,1,0,0|1,1,0]=4 1544 B11R1.711 C=C(Br)CN[C@@H]1C[C@@H]1C(=O)O 82e7067c8278b5cb9ef332fb5f90b380 [0,1,0,1,0,0|2,0,0]=4 1545 B11R1.711 C=C(Br)CN[C@H]1C[C@@H]1C(=O)O f07f063bb3e75ee1049eab173fc2ff08 [0,1,0,1,0,0|2,0,0]=4 1546 B11R1.711 C=C(Br)CN[C@H]1C[C@H]1C(=O)O e2028d6021d13b14264a71f2bb418ce2 [0,1,0,1,0,0|2,0,0]=4 1547 B11R1.711 C=C(Br)CO[C@@H]1C[C@@H]1C(=O)O 85380d840e640b9bc964a91a00422340 [0,1,0,1,0,0|1,1,0]=4 1548 B11R1.711 C=C(Br)CO[C@H]1C[C@@H]1C(=O)O c506b030ed51c6cb0c3ed3a5fa1bcb30 [0,1,0,1,0,0|1,1,0]=4 1549 B11R1.711 C=C(Br)CO[C@H]1C[C@H]1C(=O)O a9c3796f68c75b135c764162e2227a24 [0,1,0,1,0,0|1,1,0]=4 1550 B11R1.711 C=C(C)CN[C@@H]1C[C@@H]1C(=O)O ea4f43ef48c64b81603bdc3598586285 [0,1,0,1,0,0|2,0,0]=4 1551 B11R1.711 C=C(C)CN[C@H]1C[C@@H]1C(=O)O cbf62c11a422e9bb24e6a5c056dac4d1 [0,1,0,1,0,0|2,0,0]=4 1552 B11R1.711 C=C(C)CN[C@H]1C[C@H]1C(=O)O 6dec316c910fb6fec3cf01acac7d1863 [0,1,0,1,0,0|2,0,0]=4 1553 B11R1.711 C=C(C)CO[C@@H]1C[C@@H]1C(=O)O 2b14d75cfe446610b7147a48453dce66 [0,1,0,1,0,0|1,1,0]=4 1554 B11R1.711 C=C(C)CO[C@H]1C[C@@H]1C(=O)O d1532ebc87b29caa70a53d9d95013a7c [0,1,0,1,0,0|1,1,0]=4 1555 B11R1.711 C=C(C)CO[C@H]1C[C@H]1C(=O)O c491f4d2c44af4bc24cb103d95208e17 [0,1,0,1,0,0|1,1,0]=4 1556 B11R1.711 C=C(Cl)CO[C@@H]1C[C@@H]1C(=O)O 691deb61263c35443e7247c99cd6fc69 [0,1,0,1,0,0|1,1,0]=4 1557 B11R1.711 C=C(Cl)CO[C@H]1C[C@@H]1C(=O)O 204b03bb3b68c27f0ed52127ded9a386 [0,1,0,1,0,0|1,1,0]=4 1558 B11R1.711 C=C(Cl)CO[C@H]1C[C@H]1C(=O)O 189a2d8e90de7a24a738b2348449e086 [0,1,0,1,0,0|1,1,0]=4 1559 B11R1.711 C=C(F)CO[C@@H]1C[C@@H]1C(=O)O 076f630aeb97832501cd44f1f8cc73ed [0,1,0,1,0,0|1,1,0]=4 1560 B11R1.711 C=C(F)CO[C@H]1C[C@@H]1C(=O)O 5f98234def2929177d20c827295f91fb [0,1,0,1,0,0|1,1,0]=4 1561 B11R1.711 C=C(F)CO[C@H]1C[C@H]1C(=O)O 3c03058b5fa5a2a128096e4dbcdcf869 [0,1,0,1,0,0|1,1,0]=4 1562 B11R1.711 C=C(I)CO[C@@H]1C[C@@H]1C(=O)O 780dd219a671058149393c88bfec90c2 [0,1,0,1,0,0|1,1,0]=4 1563 B11R1.711 C=C(I)CO[C@H]1C[C@@H]1C(=O)O dfa96f2a2bf7a1bb673338fbbc0a675f [0,1,0,1,0,0|1,1,0]=4 1564 B11R1.711 C=C(I)CO[C@H]1C[C@H]1C(=O)O f9bb29593e0879210e5c87a2a868b641 [0,1,0,1,0,0|1,1,0]=4 1565 B11R1.743 C=C(Br)CN1CC(C1)C(=O)O 2d254091d92f29a9e2e5e499c96cca2a [0,1,0,1,0,0|2,0,0]=4 1566 B11R1.743 C=C(C)CN1CC(C1)C(=O)O 97092a5b8e48a5304cfafbde5fcafa92 [0,1,0,1,0,0|2,0,0]=4 1567 B11R1.743 C=C(Cl)CN1CC(C1)C(=O)O d6da36b6c07b7860cb3a5800db11f6e7 [0,1,0,1,0,0|2,0,0]=4 1568 B11R1.743 C=C(F)CN1CC(C1)C(=O)O adc6aef1949a186bd4eab9b7bd0bc742 [0,1,0,1,0,0|2,0,0]=4 1569 B11R0.46 C=CCCC[C@H](C)OCC(=O)O 7e08510543e564fde34d2d269f71cb52 [0,0,0,0,0,2|2,0,0]=4