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[1,1,0,0,0,0|1,0,1]=4 297 B6R0.1 CC(=NO)CCO m_4__388124__6671990 [1,1,0,0,0,0|1,0,1]=4 298 B6R0.1 CCCN(C)CC m_2230__2261920__22383854 [1,1,0,0,0,0|1,0,0]=3 299 B6R0.1 CCCN(C)OC m_2230__679026__13271112 [1,1,0,0,0,0|2,0,0]=4 300 B6R0.1 CCN(C)CC#N m_2230__2653230__2463448 [1,1,0,0,0,0|1,0,1]=4 301 B6R0.1 CCN(C)CCF m_2230__17607486__2463448 [1,1,0,0,0,0|1,0,0]=3 302 B6R0.1 CCN(C)CCN m_269982__10894792__7393392 [1,1,0,0,0,0|1,0,0]=3 303 B6R0.1 CCN(C)CCO m_2230__3225026__2463448 [1,1,0,0,0,0|0,0,0]=2 304 B6R0.1 CCNC(=O)CC m_270062__7594884__22005658 [1,1,0,0,0,0|1,0,1]=4 305 B6R0.1 CCNC(=O)CN m_270006__8379230__10128098 [1,1,0,0,0,0|1,0,1]=4 306 B6R0.1 CCNC(=O)CO m_22__57815__7941800 [1,1,0,0,0,0|0,0,1]=3 307 B6R0.1 CCNC(C)CC m_269862__7865270__7200134 [1,1,0,0,0,0|1,0,0]=3 308 B6R0.1 CCNC(C)CCl m_2230__22399894__22383854 [1,1,0,0,0,0|1,0,0]=3 309 B6R0.1 CCNC(C)CF m_270004__10214060__24715004 [1,1,0,0,0,0|1,0,0]=3 310 B6R0.1 CCNC(C)CO m_269862__7865270__15157990 [1,1,0,0,0,0|0,0,0]=2 311 B6R0.1 CCN[C@H](C)CF m_270004__13811084__24715004 [1,1,0,0,0,0|1,0,0]=3 312 B6R0.1 CCN[C@H](C)CN m_269982__22505378__7393392 [1,1,0,0,0,0|1,0,0]=3 313 B6R0.1 CCN[C@H](C)CO m_2230__22399532__22383854 [1,1,0,0,0,0|0,0,0]=2 314 B6R0.1 CCS(=O)CCO m_265282__7088216__4273536 [1,1,0,0,0,0|1,0,0]=3 315 B6R0.1 CCSC(C)CC m_7__22987770__14247828 [1,1,0,0,0,0|2,0,0]=4 316 B6R0.1 CCSC(C)CO m_7__6338928__5047 [1,1,0,0,0,0|1,0,0]=3 317 B6R0.1 CCS[C@@H](C)CN m_7__20871330__5047 [1,1,0,0,0,0|2,0,0]=4 318 B6R0.1 CNC(=O)CCO m_487__150425__12879784 [1,1,0,0,0,0|2,0,0]=4 319 B6R0.1 CNC(C)CCO m_2230__22400640__2463448 [1,1,0,0,0,0|2,0,0]=4 320 B6R0.1 CNNC(=O)CO m_240690__21584010__17025660 [1,1,0,0,0,0|1,0,1]=4 321 B6R0.1 CON(C)CCF m_2230__679026__22320836 [1,1,0,0,0,0|2,0,0]=4 322 B6R0.1 CON(C)CCO m_2230__9111768__2463448 [1,1,0,0,0,0|1,0,0]=3 323 B6R0.1 CONC(=N)CO m_34__11944490__7119628 [1,1,0,0,0,0|1,0,1]=4 324 B6R0.1 CONC(=O)CO m_22__461212__7941800 [1,1,0,0,0,0|1,0,1]=4 325 B6R0.1 CSC(C)CCO m_7__5819074__5046 [1,1,0,0,0,0|2,0,0]=4 326 B6R0.1 CSCC(C)CO m_7__6078536__5046 [1,1,0,0,0,0|2,0,0]=4 327 B6R0.1 CSCC(O)CO m_7__6554250__5046 [1,1,0,0,0,0|2,0,0]=4 328 B6R0.4 CC(=O)NCCF m_270062__12127092__15585492 [1,1,0,0,0,0|1,0,1]=4 329 B6R0.4 CC(=O)NCCN m_270006__11615266__8404996 [1,1,0,0,0,0|1,0,1]=4 330 B6R0.4 CC(=O)NCCO m_270062__7594790__15585492 [1,1,0,0,0,0|0,0,1]=3 331 B6R0.4 CC(=O)OCCO m_1458__473186__485506 [1,1,0,0,0,0|1,0,1]=4 332 B6R0.4 CC(C)NCCF m_269862__9706110__7204804 [1,1,0,0,0,0|1,0,0]=3 333 B6R0.4 CC(C)NCCO m_269862__7193048__7204804 [1,1,0,0,0,0|0,0,0]=2 334 B6R0.4 CC(C)SCCN m_7__20871276__5048 [1,1,0,0,0,0|2,0,0]=4 335 B6R0.4 CC(C)SCCO m_62__2390328__10178562 [1,1,0,0,0,0|1,0,0]=3 336 B6R0.4 CCCNC(=O)C m_270062__7595096__15585492 [1,1,0,0,0,0|1,0,1]=4 337 B6R0.4 CCCSC(C)C m_62__2390328__875868 [1,1,0,0,0,0|2,0,0]=4 338 B6R0.4 CCNCC(=O)N m_240690__7368526__7368632 [1,1,0,0,0,0|0,0,2]=4 339 B6R0.4 CCNCC(C)C m_207__121480__121216 [1,1,0,0,0,0|1,0,0]=3 340 B6R0.4 CCNCC(C)F m_270004__13461138__24715004 [1,1,0,0,0,0|1,0,0]=3 341 B6R0.4 CCNCC(C)O m_270004__8288774__24715004 [1,1,0,0,0,0|0,0,0]=2 342 B6R0.4 CCNCC(F)Br m_270004__23851146__24715004 [1,1,0,0,0,0|1,0,0]=3 343 B6R0.4 CCNCC(F)Cl m_270004__21631482__24715004 [1,1,0,0,0,0|1,0,0]=3 344 B6R0.4 CCNCC(F)F m_270004__10150310__24715004 [1,1,0,0,0,0|1,0,0]=3 345 B6R0.4 CCSCC(=O)O m_7__26823__5047 [1,1,0,0,0,0|1,0,1]=4 346 B6R0.4 CCSCC(C)C m_62__1010136__6469026 [1,1,0,0,0,0|2,0,0]=4 347 B6R0.4 CCSCC(C)F m_62__875846__16913488 [1,1,0,0,0,0|2,0,0]=4 348 B6R0.4 CCSCC(C)O m_7__10953796__5047 [1,1,0,0,0,0|1,0,0]=3 349 B6R0.4 CCSCC(F)F m_7__22987770__16886816 [1,1,0,0,0,0|2,0,0]=4 350 B6R0.4 CCSC[C@H](C)N m_7__20871336__5047 [1,1,0,0,0,0|2,0,0]=4 351 B6R0.4 CN(C)CCCO m_2230__9787816__2463448 [1,1,0,0,0,0|2,0,0]=4 352 B6R0.4 CS(=O)CCCO m_265282__10972298__4273530 [1,1,0,0,0,0|1,0,1]=4 353 B6R0.4 CSCCC(C)O m_62__12057938__876088 [1,1,0,0,0,0|2,0,0]=4 354 B6R0.4 N=C(N)NCCO m_58668__2225908__2227896 [1,1,0,0,0,0|1,0,1]=4 355 B8R0.1 C#CCC(C)NCCC m_2230__22400136__13271112 [0,2,0,0,0,0|2,0,0]=4 356 B8R0.1 C#CCC(C)NCCF m_2230__22400136__22320836 [0,2,0,0,0,0|2,0,0]=4 357 B8R0.1 C#CCC(C)NCCO m_2230__22400136__6165700 [0,2,0,0,0,0|1,0,0]=3 358 B8R0.1 C#CCC(C)SCCO m_7__128807__23842164 [0,2,0,0,0,0|2,0,0]=4 359 B8R0.1 C#CCCN(C)CCC m_2230__2261920__9864532 [0,2,0,0,0,0|2,0,0]=4 360 B8R0.1 C#CCCN(C)CCF m_2230__15161984__22320836 [0,2,0,0,0,0|2,0,0]=4 361 B8R0.1 C#CCCN(C)CCN m_269982__22518110__14439794 [0,2,0,0,0,0|2,0,0]=4 362 B8R0.1 C#CCCN(C)CCO m_2230__679202__9420240 [0,2,0,0,0,0|1,0,0]=3 363 B8R0.1 C#CCCS(=O)CCO m_265282__7088216__18060670 [0,2,0,0,0,0|2,0,0]=4 364 B8R0.1 C#CCNC(=O)CCO m_487__150763__12879784 [0,2,0,0,0,0|1,0,1]=4 365 B8R0.1 C=C=CCN(C)CCO m_2230__679202__22993872 [0,2,0,0,0,0|1,0,1]=4 366 B8R0.1 C=CCC(=O)NCCO m_22__57745__16783972 [0,2,0,0,0,0|1,0,1]=4 367 B8R0.1 C=CCC(C)NCCC m_2230__22399836__13271112 [0,2,0,0,0,0|2,0,0]=4 368 B8R0.1 C=CCC(C)NCCF m_2230__22399836__22320836 [0,2,0,0,0,0|2,0,0]=4 369 B8R0.1 C=CCC(C)NCCO m_2230__22399836__6165700 [0,2,0,0,0,0|1,0,0]=3 370 B8R0.1 C=CCC(C)SCCO m_7__128807__12913704 [0,2,0,0,0,0|2,0,0]=4 371 B8R0.1 C=CCCN(C)CCC m_2230__2261920__8929530 [0,2,0,0,0,0|2,0,0]=4 372 B8R0.1 C=CCCN(C)CCN m_269982__10894792__7396106 [0,2,0,0,0,0|2,0,0]=4 373 B8R0.1 C=CCCN(C)CCO m_2230__679202__8929530 [0,2,0,0,0,0|1,0,0]=3 374 B8R0.1 C=CCN(C)CCCO m_2230__9044904__680950 [0,2,0,0,0,0|1,0,1]=4 375 B8R0.1 C=CCN(C)CCOC m_2230__9282706__2463448 [0,2,0,0,0,0|1,0,1]=4 376 B8R0.1 C=CCNC(=O)CCO m_487__150637__12879784 [0,2,0,0,0,0|1,0,1]=4 377 B8R0.1 C=CCNC(C)CCO m_2230__22400640__680312 [0,2,0,0,0,0|1,0,1]=4 378 B8R0.1 C=CCNC(C)COC m_270004__9143632__8844972 [0,2,0,0,0,0|1,0,1]=4 379 B8R0.1 C=CCN[C@H](C)COC m_2230__22399844__680312 [0,2,0,0,0,0|1,0,1]=4 380 B8R0.1 CC#CCN(C)CCO m_2230__679202__5581034 [0,2,0,0,0,0|1,0,1]=4 381 B8R0.1 CC(CC#N)NCCF m_2230__11757170__22320836 [0,2,0,0,0,0|2,0,0]=4 382 B8R0.1 CC(CC#N)NCCO m_2230__11757170__6165700 [0,2,0,0,0,0|1,0,0]=3 383 B8R0.1 CC(CCN)NCCF m_269982__22505446__22320816 [0,2,0,0,0,0|2,0,0]=4 384 B8R0.1 CC(CCN)NCCN m_269982__22505446__14439794 [0,2,0,0,0,0|2,0,0]=4 385 B8R0.1 CC(CCN)NCCO m_269982__22505446__10880280 [0,2,0,0,0,0|1,0,0]=3 386 B8R0.1 CC(CCO)NCC#N m_2230__22400640__680932 [0,2,0,0,0,0|1,0,1]=4 387 B8R0.1 CC(CCO)NCCF m_2230__22400640__22320836 [0,2,0,0,0,0|1,0,0]=3 388 B8R0.1 CC(CCO)NCCO m_2230__22400640__6165700 [0,2,0,0,0,0|0,0,0]=2 389 B8R0.1 CC(CCO)SCCF m_7__5819074__22320828 [0,2,0,0,0,0|2,0,0]=4 390 B8R0.1 CC(CCO)SCCN m_7__20871276__14772890 [0,2,0,0,0,0|2,0,0]=4 391 B8R0.1 CC(CCO)SCCO m_7__5819074__102708 [0,2,0,0,0,0|1,0,0]=3 392 B8R0.1 CC=CCN(C)CCO m_2230__679202__681024 [0,2,0,0,0,0|1,0,1]=4 393 B8R0.1 CCCC(=O)NCCF m_270062__12127092__17814498 [0,2,0,0,0,0|2,0,0]=4 394 B8R0.1 CCCC(=O)NCCN m_270006__11615266__8405102 [0,2,0,0,0,0|2,0,0]=4 395 B8R0.1 CCCC(=O)NCCO m_270062__7594790__17814498 [0,2,0,0,0,0|1,0,0]=3 396 B8R0.1 CCCC(=O)OCCO m_1458__473330__485506 [0,2,0,0,0,0|2,0,0]=4 397 B8R0.1 CCCC(C)NCCF m_2230__22397382__22320836 [0,2,0,0,0,0|2,0,0]=4 398 B8R0.1 CCCC(C)NCCN m_272690__11349186__11346328 [0,2,0,0,0,0|2,0,0]=4 399 B8R0.1 CCCC(C)NCCO m_2230__22397382__6165700 [0,2,0,0,0,0|1,0,0]=3 400 B8R0.1 CCCC(C)SCCO m_7__14428530__102708 [0,2,0,0,0,0|2,0,0]=4 401 B8R0.1 CCCCN(C)CCC m_2230__2261920__22993830 [0,2,0,0,0,0|2,0,0]=4 402 B8R0.1 CCCCN(C)CCF m_2230__665312__22320836 [0,2,0,0,0,0|2,0,0]=4 403 B8R0.1 CCCCN(C)CCN m_269982__7368932__14439794 [0,2,0,0,0,0|2,0,0]=4 404 B8R0.1 CCCCN(C)CCO m_2230__3225028__2463448 [0,2,0,0,0,0|1,0,0]=3 405 B8R0.1 CCCN(C)CCC#N m_2230__2261920__680296 [0,2,0,0,0,0|2,0,0]=4 406 B8R0.1 CCCN(C)CCCF m_2230__2261920__16896936 [0,2,0,0,0,0|2,0,0]=4 407 B8R0.1 CCCN(C)CCCN m_269982__11965286__13271120 [0,2,0,0,0,0|2,0,0]=4 408 B8R0.1 CCCN(C)CCCO m_2230__2261920__680950 [0,2,0,0,0,0|1,0,0]=3 409 B8R0.1 CCCN(C)CCNC m_269982__10880304__13271120 [0,2,0,0,0,0|2,0,0]=4 410 B8R0.1 CCCN(C)CCOC m_2230__2261920__666874 [0,2,0,0,0,0|1,0,0]=3 411 B8R0.1 CCCN(C)CCSC m_2230__2261920__681390 [0,2,0,0,0,0|1,1,0]=4 412 B8R0.1 CCCNC(=O)CCBr m_270062__7595096__20844442 [0,2,0,0,0,0|2,0,0]=4 413 B8R0.1 CCCNC(=O)CCC m_270062__7595096__17814498 [0,2,0,0,0,0|2,0,0]=4 414 B8R0.1 CCCNC(=O)CCN m_270006__8378850__10478302 [0,2,0,0,0,0|2,0,0]=4 415 B8R0.1 CCCNC(=O)CCO m_487__150753__12879784 [0,2,0,0,0,0|1,0,0]=3 416 B8R0.1 CCCNC(=O)COC m_270062__7595096__15529360 [0,2,0,0,0,0|1,0,1]=4 417 B8R0.1 CCCNC(=O)CON m_240690__7351178__13151248 [0,2,0,0,0,0|1,0,1]=4 418 B8R0.1 CCCNC(C)CC#N m_2230__11757170__13271112 [0,2,0,0,0,0|2,0,0]=4 419 B8R0.1 CCCNC(C)CCC m_269862__7192572__7200560 [0,2,0,0,0,0|2,0,0]=4 420 B8R0.1 CCCNC(C)CCN m_269982__22505446__13271120 [0,2,0,0,0,0|2,0,0]=4 421 B8R0.1 CCCNC(C)CCO m_2230__22400640__13271112 [0,2,0,0,0,0|1,0,0]=3 422 B8R0.1 CCCNC(C)CNC m_269982__22505308__13271120 [0,2,0,0,0,0|2,0,0]=4 423 B8R0.1 CCCNC(C)COC m_270004__8288780__8844972 [0,2,0,0,0,0|1,0,0]=3 424 B8R0.1 CCCNC(C)CSC m_269862__7192572__16464016 [0,2,0,0,0,0|1,1,0]=4 425 B8R0.1 CCCN[C@H](C)CCF m_2230__22404666__13271112 [0,2,0,0,0,0|2,0,0]=4 426 B8R0.1 CCCN[C@H](C)COC m_2230__22399844__13271112 [0,2,0,0,0,0|1,0,0]=3 427 B8R0.1 CCCSC(C)CCO m_7__22986886__14772890 [0,2,0,0,0,0|2,0,0]=4 428 B8R0.1 CCCSC(C)COC m_7__22986886__6339266 [0,2,0,0,0,0|2,0,0]=4 429 B8R0.1 CCNC(=O)NCCO m_487__150669__16733542 [0,2,0,0,0,0|1,0,1]=4 430 B8R0.1 CCNC(C)CCCO m_2230__22399382__22383854 [0,2,0,0,0,0|2,0,0]=4 431 B8R0.1 CCNCC(C)CCO m_270004__8297522__24715004 [0,2,0,0,0,0|2,0,0]=4 432 B8R0.1 CCOC(=O)NCCO m_282070__22205922__22150950 [0,2,0,0,0,0|1,0,1]=4 433 B8R0.1 CCOC(C)SCCO m_7__128807__13420948 [0,2,0,0,0,0|2,0,0]=4 434 B8R0.1 CCONC(=O)CCO m_487__219588__12879784 [0,2,0,0,0,0|2,0,0]=4 435 B8R0.1 CCSC(C)CCCO m_7__22987770__10804146 [0,2,0,0,0,0|2,0,0]=4 436 B8R0.1 CN(C/C=C\Br)CCO m_2230__679202__22384838 [0,2,0,0,0,0|1,0,1]=4 437 B8R0.1 CN(CC#CBr)CCO m_2230__679202__16604684 [0,2,0,0,0,0|1,0,1]=4 438 B8R0.1 CN(CC#N)CCCO m_2230__3014482__680950 [0,2,0,0,0,0|1,0,1]=4 439 B8R0.1 CN(CC=CCl)CCO m_2230__679202__667198 [0,2,0,0,0,0|1,0,1]=4 440 B8R0.1 CN(CCF)CCC#N m_2230__6737726__22320836 [0,2,0,0,0,0|2,0,0]=4 441 B8R0.1 CN(CCF)CCCF m_2230__13040470__22320836 [0,2,0,0,0,0|2,0,0]=4 442 B8R0.1 CN(CCF)CCCN m_269982__11965286__22320816 [0,2,0,0,0,0|2,0,0]=4 443 B8R0.1 CN(CCF)CCCO m_2230__9787816__22320836 [0,2,0,0,0,0|1,0,0]=3 444 B8R0.1 CN(CCN)CCC#N m_269982__10894792__22489090 [0,2,0,0,0,0|2,0,0]=4 445 B8R0.1 CN(CCN)CCCF m_269982__10894792__16896944 [0,2,0,0,0,0|2,0,0]=4 446 B8R0.1 CN(CCN)CCCN m_269982__11965286__14439794 [0,2,0,0,0,0|2,0,0]=4 447 B8R0.1 CN(CCN)CCCO m_269982__17669188__14439794 [0,2,0,0,0,0|1,0,0]=3 448 B8R0.1 CN(CCO)CCC#N m_2230__6737726__6165700 [0,2,0,0,0,0|1,0,0]=3 449 B8R0.1 CN(CCO)CCCF m_2230__13040470__6165700 [0,2,0,0,0,0|1,0,0]=3 450 B8R0.1 CN(CCO)CCCN m_269982__22515300__10880302 [0,2,0,0,0,0|1,0,0]=3 451 B8R0.1 CN(CCO)CCCO m_2230__4567078__2463448 [0,2,0,0,0,0|0,0,0]=2 452 B8R0.1 CNCC(=O)NCCO m_270006__8389422__9790496 [0,2,0,0,0,0|1,0,1]=4 453 B8R0.1 CNCC(C)NCCF m_269982__22505308__22320816 [0,2,0,0,0,0|2,0,0]=4 454 B8R0.1 CNCC(C)NCCN m_269982__22505308__14439794 [0,2,0,0,0,0|2,0,0]=4 455 B8R0.1 CNCC(C)NCCO m_269982__22505308__10880280 [0,2,0,0,0,0|1,0,0]=3 456 B8R0.1 CNCCN(C)CCF m_269982__10880304__22320816 [0,2,0,0,0,0|2,0,0]=4 457 B8R0.1 CNCCN(C)CCN m_269982__10880304__14439794 [0,2,0,0,0,0|2,0,0]=4 458 B8R0.1 CNCCN(C)CCO m_269982__10880304__10880280 [0,2,0,0,0,0|1,0,0]=3 459 B8R0.1 COCC(=O)NCCF m_270062__12127092__15529360 [0,2,0,0,0,0|1,0,1]=4 460 B8R0.1 COCC(=O)NCCN m_270006__11615266__8407506 [0,2,0,0,0,0|1,0,1]=4 461 B8R0.1 COCC(=O)NCCO m_270062__7594790__15529360 [0,2,0,0,0,0|0,0,1]=3 462 B8R0.1 COCC(=O)OCCO m_1458__473580__485506 [0,2,0,0,0,0|1,0,1]=4 463 B8R0.1 COCC(C)NCCO m_270004__8349608__8844972 [0,2,0,0,0,0|0,0,0]=2 464 B8R0.1 COCC(C)SCCF m_7__22987942__22320828 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[0,2,0,0,0,0|1,0,1]=4 720 B8R0.6 C[C@H](CO)NCC#CBr m_2230__22399532__16604684 [0,2,0,0,0,0|1,0,1]=4 721 B8R0.6 C[C@H](CO)NCC=CCl m_2230__22399532__667198 [0,2,0,0,0,0|1,0,1]=4 722 B8R0.6 C[C@H](CO)NCCC#N m_273610__11554128__11515974 [0,2,0,0,0,0|1,0,0]=3 723 B8R0.6 C[C@H](CO)NCCCF m_2230__22399532__16896936 [0,2,0,0,0,0|1,0,0]=3 724 B8R0.6 C[C@H](CO)NCCCO m_2230__22399532__680950 [0,2,0,0,0,0|0,0,0]=2 725 B8R0.6 N#CC(Br)CSCCO m_7__128807__22787952 [0,2,0,0,0,0|2,0,0]=4 726 B8R0.6 N#CC(Cl)CSCCO m_7__128807__22787506 [0,2,0,0,0,0|2,0,0]=4 727 B8R0.6 N#CCCNC(=O)CO m_22__9433496__7941800 [0,2,0,0,0,0|1,0,1]=4 728 B8R0.6 N=C(CO)NOCCF m_34__11944490__22320830 [0,2,0,0,0,0|1,0,1]=4 729 B8R0.6 NCC(=O)NCCCO m_240690__10880360__3025698 [0,2,0,0,0,0|1,0,1]=4 730 B8R0.6 NCC(=O)NCCON m_240690__19116814__3025698 [0,2,0,0,0,0|1,0,1]=4 731 B8R0.6 NCC(=O)NOCCO m_240690__17027340__3025698 [0,2,0,0,0,0|1,0,1]=4 732 B8R0.6 NCCCNC(=O)CO m_240690__7347332__17025660 [0,2,0,0,0,0|1,0,1]=4 733 B8R0.6 NCCONC(=O)CO m_240690__13596414__17025660 [0,2,0,0,0,0|1,0,1]=4 734 B8R0.6 NCCSCC(O)CF m_7__20871276__13890448 [0,2,0,0,0,0|2,0,0]=4 735 B8R0.6 NCCSCC(O)CO m_7__20871276__22141028 [0,2,0,0,0,0|2,0,0]=4 736 B8R0.6 NOCCNC(=O)CO m_240690__19116814__17025660 [0,2,0,0,0,0|0,0,1]=3 737 B8R0.6 O=C(CO)NCCCF m_22__17065554__7941800 [0,2,0,0,0,0|1,0,1]=4 738 B8R0.6 O=C(CO)NCCCO m_22__564320__7941800 [0,2,0,0,0,0|0,0,1]=3 739 B8R0.6 O=C(CO)NNCCF m_240690__21584026__17025660 [0,2,0,0,0,0|1,0,1]=4 740 B8R0.6 O=C(CO)NOCCF m_22__13585016__7941800 [0,2,0,0,0,0|1,0,1]=4 741 B8R0.6 O=C(CO)NOCCO m_22__8989546__7941800 [0,2,0,0,0,0|0,0,1]=3 742 B8R0.6 OCC(O)CSCCF m_7__6554250__22320828 [0,2,0,0,0,0|2,0,0]=4 743 B8R0.6 OCCNC[C@H](O)CF m_273610__11554104__14323916 [0,2,0,0,0,0|0,0,0]=2 744 B8R0.6 OCCSCC(O)CF m_7__128807__13890448 [0,2,0,0,0,0|1,0,0]=3 745 B8R0.6 OCCSCC(O)CO m_7__6554250__102708 [0,2,0,0,0,0|1,0,0]=3 746 B8R0.6 O[C@H](CF)CNCCF m_273610__13857118__14323916 [0,2,0,0,0,0|1,0,0]=3 747 B8R0.7 C#CCCNCC(C)O m_273610__13857716__11516404 [0,2,0,0,0,0|1,0,0]=3 748 B8R0.7 C#CCCSCC(C)O m_7__10953796__18060656 [0,2,0,0,0,0|2,0,0]=4 749 B8R0.7 C=C(Br)CCSCCO m_62__15782476__10178562 [0,2,0,0,0,0|2,0,0]=4 750 B8R0.7 C=C(C)CCSCCO m_62__10158742__10178562 [0,2,0,0,0,0|2,0,0]=4 751 B8R0.7 C=CCCNCC(C)C m_207__11969928__121216 [0,2,0,0,0,0|2,0,0]=4 752 B8R0.7 C=CCCNCC(C)O m_273610__12100308__11516404 [0,2,0,0,0,0|1,0,0]=3 753 B8R0.7 C=CCCSCC(C)O m_7__10953796__8929468 [0,2,0,0,0,0|2,0,0]=4 754 B8R0.7 C=CCONCC(C)O m_273610__11530144__11516404 [0,2,0,0,0,0|1,0,1]=4 755 B8R0.7 CC#CCNCC(C)O m_273610__13857826__11516404 [0,2,0,0,0,0|1,0,1]=4 756 B8R0.7 CC(=O)CCSCCO m_7__128807__107330 [0,2,0,0,0,0|1,0,1]=4 757 B8R0.7 CC(C)CCNCCF m_207__18491578__134014 [0,2,0,0,0,0|2,0,0]=4 758 B8R0.7 CC(C)CCNCCO m_207__121484__134014 [0,2,0,0,0,0|1,0,0]=3 759 B8R0.7 CC(C)CCSCCO m_7__22987856__102708 [0,2,0,0,0,0|2,0,0]=4 760 B8R0.7 CC(C)CNCCC#N m_273610__13857024__11515974 [0,2,0,0,0,0|2,0,0]=4 761 B8R0.7 CC(C)CNCCCF m_207__17065564__121216 [0,2,0,0,0,0|2,0,0]=4 762 B8R0.7 CC(C)CNCCCO m_207__109475__121216 [0,2,0,0,0,0|1,0,0]=3 763 B8R0.7 CC(C)CSCCCO m_7__27301__6354 [0,2,0,0,0,0|2,0,0]=4 764 B8R0.7 CC(C)NCCCCO m_269862__9433176__7204804 [0,2,0,0,0,0|2,0,0]=4 765 B8R0.7 CC(C)SCCCCO m_7__22849690__5048 [0,2,0,0,0,0|2,0,0]=4 766 B8R0.7 CC(C)SCSCCO m_7__128807__12306378 [0,2,0,0,0,0|2,0,0]=4 767 B8R0.7 CC(F)CCSCCO m_62__13165346__10178562 [0,2,0,0,0,0|2,0,0]=4 768 B8R0.7 CC(F)CNCCC#N m_273610__13857892__11515974 [0,2,0,0,0,0|2,0,0]=4 769 B8R0.7 CC(F)CSCCCO m_7__10972294__16970746 [0,2,0,0,0,0|2,0,0]=4 770 B8R0.7 CC(N)CCSCCO m_7__20871360__102708 [0,2,0,0,0,0|2,0,0]=4 771 B8R0.7 CC(O)CCSCCN m_7__20871276__12057932 [0,2,0,0,0,0|2,0,0]=4 772 B8R0.7 CC(O)CCSCCO m_62__12057938__10178562 [0,2,0,0,0,0|1,0,0]=3 773 B8R0.7 CC(O)CNCC=CBr m_273610__15075200__11516404 [0,2,0,0,0,0|1,0,1]=4 774 B8R0.7 CC(O)CNCC=CCl m_273610__13448048__11516404 [0,2,0,0,0,0|1,0,1]=4 775 B8R0.7 CC(O)CNCCC#N m_273610__11554114__11515974 [0,2,0,0,0,0|1,0,0]=3 776 B8R0.7 CC(O)CNCCCF m_273610__17065614__11516404 [0,2,0,0,0,0|1,0,0]=3 777 B8R0.7 CC(O)CNCCCO m_273610__11554108__11516404 [0,2,0,0,0,0|0,0,0]=2 778 B8R0.7 CC(O)CSCCC#N m_7__10953802__10902704 [0,2,0,0,0,0|2,0,0]=4 779 B8R0.7 CC(O)CSCCCF m_63__17315394__10903854 [0,2,0,0,0,0|2,0,0]=4 780 B8R0.7 CC(O)CSCCCN m_7__20871288__10902704 [0,2,0,0,0,0|2,0,0]=4 781 B8R0.7 CC(O)CSCCCO m_7__10953796__6354 [0,2,0,0,0,0|1,0,0]=3 782 B8R0.7 CC=CCNCC(C)O m_273610__14317906__11516404 [0,2,0,0,0,0|1,0,1]=4 783 B8R0.7 CCCCNCC(C)C m_207__109452__121216 [0,2,0,0,0,0|2,0,0]=4 784 B8R0.7 CCCCNCC(C)O m_273610__13857014__11516404 [0,2,0,0,0,0|1,0,0]=3 785 B8R0.7 CCCCSCC(C)O m_7__10953796__770176 [0,2,0,0,0,0|2,0,0]=4 786 B8R0.7 CCCNCCC(=O)N m_273610__13857032__11515976 [0,2,0,0,0,0|1,0,1]=4 787 B8R0.7 CCCNCCC(C)C m_207__109413__134014 [0,2,0,0,0,0|2,0,0]=4 788 B8R0.7 CCCSCCC(C)O m_62__12057938__875868 [0,2,0,0,0,0|2,0,0]=4 789 B8R0.7 CCNCCCC(C)O m_270004__9448698__24715004 [0,2,0,0,0,0|2,0,0]=4 790 B8R0.7 CCOCSCC(C)O m_7__10953796__10176980 [0,2,0,0,0,0|2,0,0]=4 791 B8R0.7 CCSCCCC(C)O m_7__22987770__10688172 [0,2,0,0,0,0|2,0,0]=4 792 B8R0.7 CCSCSCC(C)O m_7__10953796__9456150 [0,2,0,0,0,0|2,0,0]=4 793 B8R0.7 CN(C)CCCCCO m_2230__9449864__2463448 [0,2,0,0,0,0|2,0,0]=4 794 B8R0.7 CN(C)CCOCCO m_2230__9824938__2463448 [0,2,0,0,0,0|2,0,0]=4 795 B8R0.7 CN(C)CCSCCO m_7__6950568__102708 [0,2,0,0,0,0|2,0,0]=4 796 B8R0.7 CNCCSCC(C)O m_7__22986920__10902704 [0,2,0,0,0,0|2,0,0]=4 797 B8R0.7 COCCNCC(=O)N m_270006__8381712__11615892 [0,2,0,0,0,0|0,0,2]=4 798 B8R0.7 COCCNCC(C)C m_207__109486__121216 [0,2,0,0,0,0|1,0,0]=3 799 B8R0.7 COCCNCC(C)O m_273610__13857010__11516404 [0,2,0,0,0,0|0,0,0]=2 800 B8R0.7 COCCSCC(=O)O m_7__26823__149891 [0,2,0,0,0,0|1,0,1]=4 801 B8R0.7 COCCSCC(C)C m_62__1010136__8623480 [0,2,0,0,0,0|2,0,0]=4 802 B8R0.7 COCCSCC(C)F m_62__524272__16913488 [0,2,0,0,0,0|2,0,0]=4 803 B8R0.7 COCCSCC(C)O m_7__10953796__149891 [0,2,0,0,0,0|1,0,0]=3 804 B8R0.7 COCCSCC(F)F m_7__6362310__16886816 [0,2,0,0,0,0|2,0,0]=4 805 B8R0.7 COCCSC[C@H](C)N m_7__20871336__149891 [0,2,0,0,0,0|2,0,0]=4 806 B8R0.7 CS(=O)CCSCCO m_7__128807__11566584 [0,2,0,0,0,0|1,0,1]=4 807 B8R0.7 CSCCNCC(C)C m_207__11946676__121216 [0,2,0,0,0,0|1,1,0]=4 808 B8R0.7 CSCCNCC(C)O m_273610__13857796__11516404 [0,2,0,0,0,0|0,1,0]=3 809 B8R0.7 CSCCSCC(C)O m_7__10953796__7912552 [0,2,0,0,0,0|1,1,0]=4 810 B8R0.7 C[C@H](N)CSCCCO m_7__20871336__6354 [0,2,0,0,0,0|2,0,0]=4 811 B8R0.7 N#CCCNCC(F)Cl m_273610__21631496__11515974 [0,2,0,0,0,0|2,0,0]=4 812 B8R0.7 N#CCCNCC(F)F m_273610__21586922__11515974 [0,2,0,0,0,0|2,0,0]=4 813 B8R0.7 NC(=O)CCCCCO m_22__58357__17833544 [0,2,0,0,0,0|1,0,1]=4 814 B8R0.7 NC(=O)CCNCCF m_273610__13857118__11515976 [0,2,0,0,0,0|1,0,1]=4 815 B8R0.7 NC(=O)CCNCCO m_273610__11554104__11515976 [0,2,0,0,0,0|0,0,1]=3 816 B8R0.7 NC(=O)CCSCCO m_7__128807__217435 [0,2,0,0,0,0|1,0,1]=4 817 B8R0.7 O=C(O)CSCCCO m_7__26823__6354 [0,2,0,0,0,0|1,0,1]=4 818 B8R0.7 OCCCSCC(F)F m_7__22987700__6354 [0,2,0,0,0,0|2,0,0]=4 819 B8R0.7 OCCSCCC(F)F m_7__22986868__102708 [0,2,0,0,0,0|2,0,0]=4 820 B8R0.3 C#CC(C)N(C)CCO m_2230__24546302__6165700 [0,2,0,0,0,0|1,0,1]=4 821 B8R0.3 C=CC(C)N(C)CCO m_2230__21221554__6165700 [0,2,0,0,0,0|1,0,1]=4 822 B8R0.3 C=CCN(C)C(C)CO m_2230__7785428__680312 [0,2,0,0,0,0|1,0,1]=4 823 B8R0.3 CC(C#N)N(C)CCO m_2230__679202__8857992 [0,2,0,0,0,0|1,0,1]=4 824 B8R0.3 CC(CF)N(C)CCF m_2230__22408738__22320836 [0,2,0,0,0,0|2,0,0]=4 825 B8R0.3 CC(CF)N(C)CCO m_2230__22408738__6165700 [0,2,0,0,0,0|1,0,0]=3 826 B8R0.3 CC(CN)N(C)CCN m_269982__10894792__13769420 [0,2,0,0,0,0|2,0,0]=4 827 B8R0.3 CC(CN)N(C)CCO m_269982__22515300__13769420 [0,2,0,0,0,0|1,0,0]=3 828 B8R0.3 CC(CO)N(C)CC#N m_2230__7785428__680932 [0,2,0,0,0,0|1,0,1]=4 829 B8R0.3 CC(CO)N(C)CCF m_2230__7785428__22320836 [0,2,0,0,0,0|1,0,0]=3 830 B8R0.3 CC(CO)N(C)CCO m_2230__7785428__6165700 [0,2,0,0,0,0|0,0,0]=2 831 B8R0.3 CCC(=O)N(C)CCO m_270062__12125918__22005658 [0,2,0,0,0,0|1,0,1]=4 832 B8R0.3 CCC(C)N(C)CCF m_2230__7462418__22320836 [0,2,0,0,0,0|2,0,0]=4 833 B8R0.3 CCC(C)N(C)CCN m_269982__10894792__14247844 [0,2,0,0,0,0|2,0,0]=4 834 B8R0.3 CCC(C)N(C)CCO m_2230__10210864__2463448 [0,2,0,0,0,0|1,0,0]=3 835 B8R0.3 CCCN(C)C(=O)CO m_22__2261902__7941800 [0,2,0,0,0,0|1,0,1]=4 836 B8R0.3 CCCN(C)C(C)CC m_2230__2261920__14247836 [0,2,0,0,0,0|2,0,0]=4 837 B8R0.3 CCCN(C)C(C)CF m_2230__2261920__22994052 [0,2,0,0,0,0|2,0,0]=4 838 B8R0.3 CCCN(C)C(C)CO m_2230__7785428__13271112 [0,2,0,0,0,0|1,0,0]=3 839 B8R0.3 CN(CCF)C(=O)CO m_22__10544876__7941800 [0,2,0,0,0,0|1,0,1]=4 840 B8R0.3 CN(CCN)C(=O)CO m_240690__10894790__17025660 [0,2,0,0,0,0|1,0,1]=4 841 B8R0.3 CN(CCO)C(=O)CN m_270006__8400602__10128098 [0,2,0,0,0,0|1,0,1]=4 842 B8R0.3 CN(CCO)C(=O)CO m_22__564318__7941800 [0,2,0,0,0,0|0,0,1]=3 843 B8R0.3 CN(CCS)C(=O)CO m_22__20890368__7941800 [0,2,0,0,0,0|0,1,1]=4 844 B8R0.8 C=CCN[C@H](C)[C@H](C)O m_2230__22400278__680312 [0,2,0,0,0,0|1,0,1]=4 845 B8R0.8 CC(C)C(=O)NCCO m_270062__7594790__13861800 [0,2,0,0,0,0|1,0,1]=4 846 B8R0.8 CC(C)C(C)NCCF m_269862__9706110__7200270 [0,2,0,0,0,0|2,0,0]=4 847 B8R0.8 CC(C)C(C)NCCN m_272690__11349186__11346054 [0,2,0,0,0,0|2,0,0]=4 848 B8R0.8 CC(C)C(C)NCCO m_269862__7193048__7200270 [0,2,0,0,0,0|1,0,0]=3 849 B8R0.8 CC(C)C(C)SCCO m_7__6286942__102708 [0,2,0,0,0,0|2,0,0]=4 850 B8R0.8 CC(C)[C@H](C)NCCF m_2230__22399838__22320836 [0,2,0,0,0,0|2,0,0]=4 851 B8R0.8 CC(C)[C@H](C)NCCO m_2230__22399838__6165700 [0,2,0,0,0,0|1,0,0]=3 852 B8R0.8 CC(F)C(C)NCCF m_2230__22400592__22320836 [0,2,0,0,0,0|2,0,0]=4 853 B8R0.8 CC(F)C(C)NCCO m_2230__22400592__6165700 [0,2,0,0,0,0|1,0,0]=3 854 B8R0.8 CC(N)C(=O)NCCO m_270006__8389422__7641714 [0,2,0,0,0,0|1,0,1]=4 855 B8R0.8 CC(N)C(C)NCCF m_269982__22505178__22320816 [0,2,0,0,0,0|2,0,0]=4 856 B8R0.8 CC(N)C(C)NCCN m_269982__22505178__14439794 [0,2,0,0,0,0|2,0,0]=4 857 B8R0.8 CC(N)C(C)NCCO m_269982__22505178__10880280 [0,2,0,0,0,0|1,0,0]=3 858 B8R0.8 CC(NCCO)C(=O)O m_273456__11072520__13259262 [0,2,0,0,0,0|0,0,1]=3 859 B8R0.8 CC(NCCO)C(F)F m_2230__22394972__6165700 [0,2,0,0,0,0|1,0,0]=3 860 B8R0.8 CC(O)C(=O)NCCN m_240690__3025612__17025646 [0,2,0,0,0,0|1,0,1]=4 861 B8R0.8 CC(O)C(C)NCCF m_269862__9706110__13817824 [0,2,0,0,0,0|1,0,0]=3 862 B8R0.8 CC(O)C(C)NCCO m_269862__7193048__13817824 [0,2,0,0,0,0|0,0,0]=2 863 B8R0.8 CC(O)C(C)SCCF m_7__6286572__22320828 [0,2,0,0,0,0|2,0,0]=4 864 B8R0.8 CC(O)C(C)SCCO m_7__128807__12202248 [0,2,0,0,0,0|1,0,0]=3 865 B8R0.8 CCCNC(=O)[C@@H](C)O m_22__58027__17541882 [0,2,0,0,0,0|1,0,1]=4 866 B8R0.8 CCCNC(C)C(C)C m_269862__7192572__7200270 [0,2,0,0,0,0|2,0,0]=4 867 B8R0.8 CCCNC(C)C(C)F m_2230__22400592__13271112 [0,2,0,0,0,0|2,0,0]=4 868 B8R0.8 CCCNC(C)C(C)N m_269982__22505178__13271120 [0,2,0,0,0,0|2,0,0]=4 869 B8R0.8 CCCNC(C)C(C)O m_269862__7192572__13817824 [0,2,0,0,0,0|1,0,0]=3 870 B8R0.8 CCCN[C@@H](C)C(C)C m_2230__22399838__13271112 [0,2,0,0,0,0|2,0,0]=4 871 B8R0.8 CCCN[C@H](C)[C@H](C)O m_2230__22400278__13271112 [0,2,0,0,0,0|1,0,0]=3 872 B8R0.8 CCCSC(C)C(C)O m_7__22986886__12202248 [0,2,0,0,0,0|2,0,0]=4 873 B8R0.8 C[C@@H](F)C(=O)NCCO m_22__57745__24597924 [0,2,0,0,0,0|1,0,1]=4 874 B8R0.8 C[C@@H](NCCO)C(=O)N m_2230__22395940__6165700 [0,2,0,0,0,0|0,0,2]=4 875 B8R0.8 C[C@@H](O)C(=O)NCCF m_22__9706072__17541882 [0,2,0,0,0,0|1,0,1]=4 876 B8R0.8 C[C@@H](O)C(=O)NCCO m_22__57745__17541882 [0,2,0,0,0,0|0,0,1]=3 877 B8R0.8 C[C@H](O)[C@@H](C)NCC#N m_2230__22400278__680932 [0,2,0,0,0,0|1,0,1]=4 878 B8R0.8 C[C@H](O)[C@@H](C)NCCF m_2230__22400278__22320836 [0,2,0,0,0,0|1,0,0]=3 879 B8R0.8 C[C@H](O)[C@@H](C)NCCO m_2230__22400278__6165700 [0,2,0,0,0,0|0,0,0]=2 880 B8R0.8 O=C(NCCO)C(Cl)Cl m_22__57745__20853970 [0,2,0,0,0,0|1,0,1]=4 881 B8R0.8 O=C(NCCO)C(F)F m_527__154483__8765604 [0,2,0,0,0,0|1,0,1]=4 882 B8R0.9 C#CC(C)NCC(C)O m_273610__13857754__11516404 [0,2,0,0,0,0|1,0,1]=4 883 B8R0.9 C=C(Br)CN[C@H](C)CO m_2230__22399532__1199106 [0,2,0,0,0,0|1,0,1]=4 884 B8R0.9 C=C(C)CN[C@H](C)CO m_2230__22399532__666852 [0,2,0,0,0,0|1,0,1]=4 885 B8R0.9 C=C(Cl)CNC(C)CO m_269862__8258700__15157990 [0,2,0,0,0,0|1,0,1]=4 886 B8R0.9 C=C(Cl)CN[C@H](C)CO m_2230__22399532__680958 [0,2,0,0,0,0|1,0,1]=4 887 B8R0.9 C=C(F)CNC(C)CO m_269862__18716750__15157990 [0,2,0,0,0,0|1,0,1]=4 888 B8R0.9 C=C(F)CN[C@H](C)CO m_2230__22399532__22388968 [0,2,0,0,0,0|1,0,1]=4 889 B8R0.9 C=C(I)CN[C@H](C)CO m_2230__22399532__18682544 [0,2,0,0,0,0|1,0,1]=4 890 B8R0.9 C=CC(C)NCC(C)O m_2230__22399842__9736146 [0,2,0,0,0,0|1,0,1]=4 891 B8R0.9 CC(=O)CN[C@H](C)CO m_2230__22399532__12369270 [0,2,0,0,0,0|0,0,2]=4 892 B8R0.9 CC(C)CNC(=O)CO m_22__57919__7941800 [0,2,0,0,0,0|1,0,1]=4 893 B8R0.9 CC(C)CNC(C)CCl m_2230__22399894__681214 [0,2,0,0,0,0|2,0,0]=4 894 B8R0.9 CC(C)CNC(C)CF m_270004__10214060__8127718 [0,2,0,0,0,0|2,0,0]=4 895 B8R0.9 CC(C)CNC(C)CO m_269862__7192632__15157990 [0,2,0,0,0,0|1,0,0]=3 896 B8R0.9 CC(C)CN[C@H](C)CF m_207__13811060__121216 [0,2,0,0,0,0|2,0,0]=4 897 B8R0.9 CC(C)CN[C@H](C)CN m_269982__22505378__7393362 [0,2,0,0,0,0|2,0,0]=4 898 B8R0.9 CC(C)CN[C@H](C)CO m_207__1299140__121216 [0,2,0,0,0,0|1,0,0]=3 899 B8R0.9 CC(C)CSC(C)CO m_7__27301__17610454 [0,2,0,0,0,0|2,0,0]=4 900 B8R0.9 CC(CCl)NCC(F)F m_2230__22399894__8371038 [0,2,0,0,0,0|2,0,0]=4 901 B8R0.9 CC(CO)NCC(F)Cl m_269862__21631480__15157990 [0,2,0,0,0,0|1,0,0]=3 902 B8R0.9 CC(CO)SCC(=O)O m_7__26823__17610454 [0,2,0,0,0,0|1,0,1]=4 903 B8R0.9 CC(CO)SCC(F)F m_7__6338928__16886816 [0,2,0,0,0,0|2,0,0]=4 904 B8R0.9 CC(CO)SC[C@H](C)N m_7__20871336__17610454 [0,2,0,0,0,0|2,0,0]=4 905 B8R0.9 CC(F)CNC(=O)CO m_22__13461108__7941800 [0,2,0,0,0,0|1,0,1]=4 906 B8R0.9 CC(F)CNC(C)CCl m_2230__22399894__16970752 [0,2,0,0,0,0|2,0,0]=4 907 B8R0.9 CC(F)CNC(C)CO m_269862__13461136__15157990 [0,2,0,0,0,0|1,0,0]=3 908 B8R0.9 CC(F)CN[C@H](C)CF m_2230__22399906__16970752 [0,2,0,0,0,0|2,0,0]=4 909 B8R0.9 CC(F)CN[C@H](C)CN m_269982__22505378__16913476 [0,2,0,0,0,0|2,0,0]=4 910 B8R0.9 CC(F)CN[C@H](C)CO m_2230__22399532__16970752 [0,2,0,0,0,0|1,0,0]=3 911 B8R0.9 CC(F)CSC(C)CO m_7__6338928__16970746 [0,2,0,0,0,0|2,0,0]=4 912 B8R0.9 CC(N)CNC(=O)CO m_240690__9481082__17025660 [0,2,0,0,0,0|1,0,1]=4 913 B8R0.9 CC(O)CNC(=O)CN m_240690__17023110__3025698 [0,2,0,0,0,0|1,0,1]=4 914 B8R0.9 CC(O)CNC(=O)CO m_22__564336__7941800 [0,2,0,0,0,0|0,0,1]=3 915 B8R0.9 CC(O)CNC(C)CCl m_2230__22399894__9736146 [0,2,0,0,0,0|1,0,0]=3 916 B8R0.9 CC(O)CNC(C)CO m_269862__7192560__15157990 [0,2,0,0,0,0|0,0,0]=2 917 B8R0.9 CC(O)CN[C@H](C)CF m_2230__22399906__9736146 [0,2,0,0,0,0|1,0,0]=3 918 B8R0.9 CC(O)CN[C@H](C)CN m_269982__22505378__13193380 [0,2,0,0,0,0|1,0,0]=3 919 B8R0.9 CC(O)CN[C@H](C)CO m_2230__22399532__9736146 [0,2,0,0,0,0|0,0,0]=2 920 B8R0.9 CC(O)CSC(C)CO m_7__6338928__10902704 [0,2,0,0,0,0|1,0,0]=3 921 B8R0.9 CC(O)CS[C@@H](C)CN m_7__20871330__10902704 [0,2,0,0,0,0|2,0,0]=4 922 B8R0.9 CCC(=O)NCC(C)O m_270062__7600310__22005658 [0,2,0,0,0,0|1,0,1]=4 923 B8R0.9 CCC(C)NCC(C)C m_269862__7192632__7200134 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937 B8R0.9 O=C(CO)NCC(F)F m_22__20975834__7941800 [0,2,0,0,0,0|1,0,1]=4 938 B8R0.9 O=C(O)CNC(=O)CO m_269946__7297364__16881486 [0,2,0,0,0,0|0,0,2]=4 939 B8R0.11 C#CC(CC)NCCC m_2230__22400958__13271112 [0,2,0,0,0,0|2,0,0]=4 940 B8R0.11 C#CC(CC)NCCF m_2230__22400958__22320836 [0,2,0,0,0,0|2,0,0]=4 941 B8R0.11 C#CC(CC)NCCO m_2230__22400958__6165700 [0,2,0,0,0,0|1,0,0]=3 942 B8R0.11 C#CC(CO)NCC#N m_2230__22400962__680932 [0,2,0,0,0,0|1,0,1]=4 943 B8R0.11 C#CC(CO)NCC=C m_2230__22400962__680312 [0,2,0,0,0,0|1,0,1]=4 944 B8R0.11 C#CC(CO)NCCC m_2230__22400962__13271112 [0,2,0,0,0,0|1,0,0]=3 945 B8R0.11 C#CC(CO)NCCF m_2230__22400962__22320836 [0,2,0,0,0,0|1,0,0]=3 946 B8R0.11 C#CC(CO)NCCO m_2230__22400962__6165700 [0,2,0,0,0,0|0,0,0]=2 947 B8R0.11 C=CCNC(C#N)CO m_2230__22395546__680312 [0,2,0,0,0,0|1,0,1]=4 948 B8R0.11 C=CCNC(CC)CO m_2230__13047752__680312 [0,2,0,0,0,0|1,0,1]=4 949 B8R0.11 C=CCNC(CN)CO m_269982__22505370__7393354 [0,2,0,0,0,0|1,0,1]=4 950 B8R0.11 C=CCNC(CO)CO m_2230__10738176__680312 [0,2,0,0,0,0|1,0,1]=4 951 B8R0.11 C=CCN[C@@H](CO)CF m_2230__22400244__680312 [0,2,0,0,0,0|1,0,1]=4 952 B8R0.11 C=CCN[C@H](C=C)CO m_2230__12111600__680312 [0,2,0,0,0,0|1,0,1]=4 953 B8R0.11 C=C[C@H](CO)NCC#N m_2230__12111600__680932 [0,2,0,0,0,0|1,0,1]=4 954 B8R0.11 C=C[C@H](CO)NCCC m_2230__12111600__13271112 [0,2,0,0,0,0|1,0,0]=3 955 B8R0.11 C=C[C@H](CO)NCCF m_2230__12111600__22320836 [0,2,0,0,0,0|1,0,0]=3 956 B8R0.11 C=C[C@H](CO)NCCO m_2230__12111600__6165700 [0,2,0,0,0,0|0,0,0]=2 957 B8R0.11 CCC(C#N)NCCO m_2230__22395038__6165700 [0,2,0,0,0,0|1,0,0]=3 958 B8R0.11 CCC(C#N)SCCO m_7__128807__9105088 [0,2,0,0,0,0|2,0,0]=4 959 B8R0.11 CCC(CC)NCCO m_270004__8349608__8798310 [0,2,0,0,0,0|1,0,0]=3 960 B8R0.11 CCC(CC)SCCO m_7__2559076__102708 [0,2,0,0,0,0|2,0,0]=4 961 B8R0.11 CCC(CCCO)NC m_2230__22399890__2463448 [0,2,0,0,0,0|2,0,0]=4 962 B8R0.11 CCC(CF)NCCF m_2230__22400144__22320836 [0,2,0,0,0,0|2,0,0]=4 963 B8R0.11 CCC(CF)NCCO m_2230__22400144__6165700 [0,2,0,0,0,0|1,0,0]=3 964 B8R0.11 CCC(CN)NCCF m_269982__22505480__22320816 [0,2,0,0,0,0|2,0,0]=4 965 B8R0.11 CCC(CN)NCCN m_269982__22505480__14439794 [0,2,0,0,0,0|2,0,0]=4 966 B8R0.11 CCC(CN)NCCO m_269982__22505480__10880280 [0,2,0,0,0,0|1,0,0]=3 967 B8R0.11 CCC(CN)SCCO m_7__20871318__6166114 [0,2,0,0,0,0|2,0,0]=4 968 B8R0.11 CCC(CO)NCC#N m_2230__13047752__680932 [0,2,0,0,0,0|1,0,1]=4 969 B8R0.11 CCC(CO)NCCF m_2230__13047752__22320836 [0,2,0,0,0,0|1,0,0]=3 970 B8R0.11 CCC(CO)NCCO m_2230__13047752__6165700 [0,2,0,0,0,0|0,0,0]=2 971 B8R0.11 CCC(CO)SCCN m_7__20871276__12622184 [0,2,0,0,0,0|2,0,0]=4 972 B8R0.11 CCC(CO)SCCO m_7__128807__12622184 [0,2,0,0,0,0|1,0,0]=3 973 B8R0.11 CCCNC(CC)CC m_270004__8288780__8798310 [0,2,0,0,0,0|2,0,0]=4 974 B8R0.11 CCCNC(CC)CF m_2230__22400144__13271112 [0,2,0,0,0,0|2,0,0]=4 975 B8R0.11 CCCNC(CC)CN m_269982__22505480__13271120 [0,2,0,0,0,0|2,0,0]=4 976 B8R0.11 CCCNC(CC)CO m_2230__13047752__13271112 [0,2,0,0,0,0|1,0,0]=3 977 B8R0.11 CCCNC(CF)CF m_2230__22399898__13271112 [0,2,0,0,0,0|2,0,0]=4 978 B8R0.11 CCCNC(CN)CN m_269982__10300044__13271120 [0,2,0,0,0,0|2,0,0]=4 979 B8R0.11 CCCNC(CN)CO m_269982__22505370__13271120 [0,2,0,0,0,0|1,0,0]=3 980 B8R0.11 CCCNC(CO)CO m_2230__10738176__13271112 [0,2,0,0,0,0|1,0,0]=3 981 B8R0.11 CCCN[C@@H](CO)CF m_2230__22400244__13271112 [0,2,0,0,0,0|1,0,0]=3 982 B8R0.11 CCCSC(CC)CO m_7__22986886__12622184 [0,2,0,0,0,0|2,0,0]=4 983 B8R0.11 CN[C@H](CO)CCCO m_2230__22397088__2463448 [0,2,0,0,0,0|1,0,0]=3 984 B8R0.11 FCCNC(CF)CF m_2230__22399898__22320836 [0,2,0,0,0,0|2,0,0]=4 985 B8R0.11 N#CC(CO)NCCO m_2230__22395546__6165700 [0,2,0,0,0,0|0,0,0]=2 986 B8R0.11 N#CCNC(C#N)CO m_2230__22395546__680932 [0,2,0,0,0,0|1,0,1]=4 987 B8R0.11 N#CCNC(CO)CO m_2230__10738176__680932 [0,2,0,0,0,0|1,0,1]=4 988 B8R0.11 N#CCN[C@@H](CO)CF m_2230__22400244__680932 [0,2,0,0,0,0|1,0,1]=4 989 B8R0.11 NCC(CN)NCCF m_269982__10300044__22320816 [0,2,0,0,0,0|2,0,0]=4 990 B8R0.11 NCC(CN)NCCO m_269982__10300044__10880280 [0,2,0,0,0,0|1,0,0]=3 991 B8R0.11 NCC(CO)NCCF m_269982__22505370__22320816 [0,2,0,0,0,0|1,0,0]=3 992 B8R0.11 NCC(CO)NCCO m_269982__22505370__10880280 [0,2,0,0,0,0|0,0,0]=2 993 B8R0.11 NCCNC(CN)CN m_269982__10300044__14439794 [0,2,0,0,0,0|2,0,0]=4 994 B8R0.11 NCCNC(CN)CO m_269982__22505370__14439794 [0,2,0,0,0,0|1,0,0]=3 995 B8R0.11 OCC(CO)NCCF m_2230__10738176__22320836 [0,2,0,0,0,0|1,0,0]=3 996 B8R0.11 OCCNC(CF)CF m_2230__22399898__6165700 [0,2,0,0,0,0|1,0,0]=3 997 B8R0.11 OCCNC(CO)CO m_2230__10738176__6165700 [0,2,0,0,0,0|0,0,0]=2 998 B8R0.11 OCCN[C@@H](CO)CF m_2230__22400244__6165700 [0,2,0,0,0,0|0,0,0]=2 999 B8R0.11 OCCSC(CF)CF m_7__128807__17626614 [0,2,0,0,0,0|2,0,0]=4 1000 B8R0.11 OC[C@@H](CF)NCCF m_2230__22400244__22320836 [0,2,0,0,0,0|1,0,0]=3 1001 B8R0.19 C#CC(C)N[C@H](C)CO m_2230__22399532__16604804 [0,2,0,0,0,0|1,0,1]=4 1002 B8R0.19 C=CC(C)NC(C)CO m_269862__8259486__15157990 [0,2,0,0,0,0|1,0,1]=4 1003 B8R0.19 CC(C#N)N[C@H](C)CO m_2230__22399532__8857992 [0,2,0,0,0,0|1,0,1]=4 1004 B8R0.19 CC(CF)NC(C)CCl m_2230__22399894__22994052 [0,2,0,0,0,0|2,0,0]=4 1005 B8R0.19 CC(CF)N[C@H](C)CF m_2230__22399906__22994052 [0,2,0,0,0,0|2,0,0]=4 1006 B8R0.19 CC(CF)N[C@H](C)CO m_2230__22399532__22994052 [0,2,0,0,0,0|1,0,0]=3 1007 B8R0.19 CC(CN)N[C@H](C)CN m_269982__22505378__13769420 [0,2,0,0,0,0|2,0,0]=4 1008 B8R0.19 CC(CO)NC(=O)CO m_22__564376__7941800 [0,2,0,0,0,0|0,0,1]=3 1009 B8R0.19 CC(CO)N[C@H](C)CO m_269862__7194864__15157990 [0,2,0,0,0,0|0,0,0]=2 1010 B8R0.19 CC(CO)SC(C)CO m_7__6338928__17610454 [0,2,0,0,0,0|1,0,0]=3 1011 B8R0.19 CC(CO)S[C@@H](C)CN m_7__20871330__17610454 [0,2,0,0,0,0|2,0,0]=4 1012 B8R0.19 CCC(=O)NC(C)CO m_270062__7600328__22005658 [0,2,0,0,0,0|1,0,1]=4 1013 B8R0.19 CCC(C)NC(=O)CO m_22__57678__7941800 [0,2,0,0,0,0|1,0,1]=4 1014 B8R0.19 CCC(C)NC(C)CC m_269862__7192700__7200134 [0,2,0,0,0,0|2,0,0]=4 1015 B8R0.19 CCC(C)NC(C)CCl m_2230__22399894__14247836 [0,2,0,0,0,0|2,0,0]=4 1016 B8R0.19 CCC(C)NC(C)CF m_2230__22399526__22994052 [0,2,0,0,0,0|2,0,0]=4 1017 B8R0.19 CCC(C)NC(C)CO m_269862__7192700__15157990 [0,2,0,0,0,0|1,0,0]=3 1018 B8R0.19 CCC(C)N[C@H](C)CF m_2230__22399906__14247836 [0,2,0,0,0,0|2,0,0]=4 1019 B8R0.19 CCC(C)N[C@H](C)CN m_269982__22505378__14247844 [0,2,0,0,0,0|2,0,0]=4 1020 B8R0.19 CCC(C)N[C@H](C)CO m_269862__7194864__7200134 [0,2,0,0,0,0|1,0,0]=3 1021 B8R0.19 CCC(C)SC(C)CO m_7__6338928__14247828 [0,2,0,0,0,0|2,0,0]=4 1022 B8R0.19 CC[C@@H](C)NC(=O)CO m_22__23073296__7941800 [0,2,0,0,0,0|1,0,1]=4 1023 B8R0.19 C[C@H](CF)NC(=O)CO m_22__13811048__7941800 [0,2,0,0,0,0|1,0,1]=4 1024 B8R0.19 C[C@H](CN)NC(=O)CO m_240690__8902564__17025660 [0,2,0,0,0,0|1,0,1]=4 1025 B8R0.19 C[C@H](CO)NC(=O)CN m_240690__15704534__3025698 [0,2,0,0,0,0|1,0,1]=4 1026 B8R0.25 C=CC(C)(C)NCCO m_2230__22399900__6165700 [0,2,0,0,0,0|1,0,1]=4 1027 B8R0.25 C=CCNC(C)(C)CO m_2230__3081244__680312 [0,2,0,0,0,0|1,0,1]=4 1028 B8R0.25 CC(C)(C#N)NCCO m_2230__22395152__6165700 [0,2,0,0,0,0|1,0,1]=4 1029 B8R0.25 CC(C)(CCl)NCCF m_2230__22399850__22320836 [0,2,0,0,0,0|2,0,0]=4 1030 B8R0.25 CC(C)(CCl)NCCO m_2230__22399850__6165700 [0,2,0,0,0,0|1,0,0]=3 1031 B8R0.25 CC(C)(CF)NCCF m_2230__22399360__22320836 [0,2,0,0,0,0|2,0,0]=4 1032 B8R0.25 CC(C)(CF)NCCO m_2230__22399360__6165700 [0,2,0,0,0,0|1,0,0]=3 1033 B8R0.25 CC(C)(CN)NCCF m_269982__22505310__22320816 [0,2,0,0,0,0|2,0,0]=4 1034 B8R0.25 CC(C)(CN)NCCN m_269982__22505310__14439794 [0,2,0,0,0,0|2,0,0]=4 1035 B8R0.25 CC(C)(CN)NCCO m_269982__22505310__10880280 [0,2,0,0,0,0|1,0,0]=3 1036 B8R0.25 CC(C)(CO)NCC#N m_2230__3081244__680932 [0,2,0,0,0,0|1,0,1]=4 1037 B8R0.25 CC(C)(CO)NCCF m_2230__3081244__22320836 [0,2,0,0,0,0|1,0,0]=3 1038 B8R0.25 CC(C)(CO)NCCO m_2230__3081244__6165700 [0,2,0,0,0,0|0,0,0]=2 1039 B8R0.25 CC(C)(CO)SCCF m_7__22987538__22320828 [0,2,0,0,0,0|2,0,0]=4 1040 B8R0.25 CC(C)(CO)SCCO m_7__22987538__102708 [0,2,0,0,0,0|1,0,0]=3 1041 B8R0.25 CCC(C)(C)NCCF m_2230__804688__22320836 [0,2,0,0,0,0|2,0,0]=4 1042 B8R0.25 CCC(C)(C)NCCO m_2230__804688__6165700 [0,2,0,0,0,0|1,0,0]=3 1043 B8R0.25 CCCNC(C)(C)CC m_2230__804688__13271112 [0,2,0,0,0,0|2,0,0]=4 1044 B8R0.25 CCCNC(C)(C)CCl m_2230__22399850__13271112 [0,2,0,0,0,0|2,0,0]=4 1045 B8R0.25 CCCNC(C)(C)CF m_2230__22399360__13271112 [0,2,0,0,0,0|2,0,0]=4 1046 B8R0.25 CCCNC(C)(C)CN m_269982__22505310__13271120 [0,2,0,0,0,0|2,0,0]=4 1047 B8R0.25 CCCNC(C)(C)CO m_2230__3081244__13271112 [0,2,0,0,0,0|1,0,0]=3 1048 B8R0.25 CCCSC(C)(C)CO m_7__22987538__14390332 [0,2,0,0,0,0|2,0,0]=4 1049 B8R0.25 CCS(=O)(=O)NCCO m_40__5439026__6289440 [0,2,0,0,0,0|2,0,0]=4 1050 B8R0.25 O=S(=O)(CBr)NCCO m_40__5439026__9780244 [0,2,0,0,0,0|2,0,0]=4 1051 B8R0.25 O=S(=O)(CCl)NCCO m_40__5439026__10300412 [0,2,0,0,0,0|2,0,0]=4 1052 B8R0.5 C=C(Br)CN(C)CCO m_2230__20075912__6165700 [0,2,0,0,0,0|1,0,1]=4 1053 B8R0.5 C=C(C)CN(C)CCO m_2230__12158106__6165700 [0,2,0,0,0,0|1,0,1]=4 1054 B8R0.5 C=C(Cl)CN(C)CCO m_2230__679202__680958 [0,2,0,0,0,0|1,0,1]=4 1055 B8R0.5 C=C(F)CN(C)CCO m_2230__679202__22388968 [0,2,0,0,0,0|1,0,1]=4 1056 B8R0.5 C=C(I)CN(C)CCO m_2230__679202__18682544 [0,2,0,0,0,0|1,0,1]=4 1057 B8R0.5 C=CCN(C)CC(C)O m_2230__9044904__9736146 [0,2,0,0,0,0|1,0,1]=4 1058 B8R0.5 CC(=O)CN(C)CCO m_2230__679202__12369270 [0,2,0,0,0,0|0,0,2]=4 1059 B8R0.5 CC(C)CN(C)CCF m_2230__2206024__22320836 [0,2,0,0,0,0|2,0,0]=4 1060 B8R0.5 CC(C)CN(C)CCN m_271302__10894794__8903990 [0,2,0,0,0,0|2,0,0]=4 1061 B8R0.5 CC(C)CN(C)CCO m_2230__14592070__2463448 [0,2,0,0,0,0|1,0,0]=3 1062 B8R0.5 CC(C)CS(=O)CCO m_265282__7088216__14924542 [0,2,0,0,0,0|2,0,0]=4 1063 B8R0.5 CC(F)CN(C)CCN m_269982__10894792__16913476 [0,2,0,0,0,0|2,0,0]=4 1064 B8R0.5 CC(F)CN(C)CCO m_2230__679202__16970752 [0,2,0,0,0,0|1,0,0]=3 1065 B8R0.5 CC(F)CS(=O)CCO m_265282__7088216__16913496 [0,2,0,0,0,0|2,0,0]=4 1066 B8R0.5 CC(O)CN(C)CC#N m_2230__5729954__680932 [0,2,0,0,0,0|1,0,1]=4 1067 B8R0.5 CC(O)CN(C)CCF m_2230__5729954__22320836 [0,2,0,0,0,0|1,0,0]=3 1068 B8R0.5 CC(O)CN(C)CCN m_269982__17668780__14439794 [0,2,0,0,0,0|1,0,0]=3 1069 B8R0.5 CC(O)CN(C)CCO m_2230__679202__9736146 [0,2,0,0,0,0|0,0,0]=2 1070 B8R0.5 CCCN(C)CC(C)C m_2230__2261920__681214 [0,2,0,0,0,0|2,0,0]=4 1071 B8R0.5 CCCN(C)CC(C)F m_2230__2261920__16970752 [0,2,0,0,0,0|2,0,0]=4 1072 B8R0.5 CCCN(C)CC(C)O m_2230__2261920__10638028 [0,2,0,0,0,0|1,0,0]=3 1073 B8R0.5 CCCN(C)CC(F)Cl m_2230__21676360__13271112 [0,2,0,0,0,0|2,0,0]=4 1074 B8R0.5 CCCN(C)CC(F)F m_2230__2261920__16886888 [0,2,0,0,0,0|2,0,0]=4 1075 B8R0.5 CCCN(C)C[C@H](C)N m_269982__22504918__13271120 [0,2,0,0,0,0|2,0,0]=4 1076 B8R0.5 CN(CCF)CC(F)Cl m_2230__21676360__22320836 [0,2,0,0,0,0|2,0,0]=4 1077 B8R0.5 CN(CCN)CC(F)Cl m_269982__21676410__14439794 [0,2,0,0,0,0|2,0,0]=4 1078 B8R0.5 CN(CCO)CC(=O)N m_2230__751802__6165700 [0,2,0,0,0,0|0,0,2]=4 1079 B8R0.5 CN(CCO)CC(=O)O m_270122__22553178__22563622 [0,2,0,0,0,0|0,0,1]=3 1080 B8R0.5 CN(CCO)CC(F)Cl m_2230__21676360__6165700 [0,2,0,0,0,0|1,0,0]=3 1081 B8R0.5 CN(CCO)CC(F)F m_2230__3307464__6165700 [0,2,0,0,0,0|1,0,0]=3 1082 B8R0.5 C[C@H](N)CN(C)CCF m_269982__22504918__22320816 [0,2,0,0,0,0|2,0,0]=4 1083 B8R0.5 C[C@H](N)CN(C)CCN m_269982__22504918__14439794 [0,2,0,0,0,0|2,0,0]=4 1084 B8R0.5 C[C@H](N)CN(C)CCO m_269982__22515300__25012480 [0,2,0,0,0,0|1,0,0]=3 1085 B8R0.21 CC(C)(C)CNCCF m_207__18491578__2989454 [0,2,0,0,0,0|2,0,0]=4 1086 B8R0.21 CC(C)(C)CNCCO m_207__121484__2989454 [0,2,0,0,0,0|1,0,0]=3 1087 B8R0.21 CC(C)(C)CSCCO m_7__9780138__102708 [0,2,0,0,0,0|2,0,0]=4 1088 B8R0.21 CC(C)(F)CNCCO m_270004__8349608__17541580 [0,2,0,0,0,0|1,0,0]=3 1089 B8R0.21 CC(C)(F)CSCCO m_62__23075284__10178562 [0,2,0,0,0,0|2,0,0]=4 1090 B8R0.21 CC(C)(N)CSCCO m_7__22849170__6166114 [0,2,0,0,0,0|2,0,0]=4 1091 B8R0.21 CC(C)(O)CSCCF m_7__22987452__22320828 [0,2,0,0,0,0|2,0,0]=4 1092 B8R0.21 CC(C)(O)CSCCN m_7__20871276__8331390 [0,2,0,0,0,0|2,0,0]=4 1093 B8R0.21 CC(C)(O)CSCCO m_7__22987452__102708 [0,2,0,0,0,0|1,0,0]=3 1094 B8R0.21 CCCNCC(C)(C)C m_207__109413__2989454 [0,2,0,0,0,0|2,0,0]=4 1095 B8R0.21 CCCNCC(C)(C)F m_270004__8288780__17541580 [0,2,0,0,0,0|2,0,0]=4 1096 B8R0.21 CCCSCC(C)(C)O m_7__22987452__14390332 [0,2,0,0,0,0|2,0,0]=4 1097 B8R0.21 CP(=O)(C)CNCCO m_2230__19438450__6165700 [0,2,0,0,0,0|1,0,1]=4 1098 B8R0.21 OCCSCC(F)(F)F m_7__22987388__102708 [0,2,0,0,0,0|2,0,0]=4 1099 B8R0.28 C=C(Br)CNCC(C)O m_273610__11520118__11516404 [0,2,0,0,0,0|1,0,1]=4 1100 B8R0.28 C=C(C)CNCC(C)O m_273610__13857164__11516404 [0,2,0,0,0,0|1,0,1]=4 1101 B8R0.28 C=C(F)CNCC(C)O m_273610__18716774__11516404 [0,2,0,0,0,0|1,0,1]=4 1102 B8R0.28 CC(C)CNCC(C)C m_207__109450__121216 [0,2,0,0,0,0|2,0,0]=4 1103 B8R0.28 CC(C)CNCC(C)F m_270004__13461138__8127718 [0,2,0,0,0,0|2,0,0]=4 1104 B8R0.28 CC(C)CNCC(C)O m_273610__13857024__11516404 [0,2,0,0,0,0|1,0,0]=3 1105 B8R0.28 CC(C)CNCC(F)Br m_270004__23851146__8127718 [0,2,0,0,0,0|2,0,0]=4 1106 B8R0.28 CC(C)CNCC(F)Cl m_270004__21631482__8127718 [0,2,0,0,0,0|2,0,0]=4 1107 B8R0.28 CC(C)CNCC(F)F m_207__21586816__121216 [0,2,0,0,0,0|2,0,0]=4 1108 B8R0.28 CC(C)CSCC(C)O m_7__27301__10902704 [0,2,0,0,0,0|2,0,0]=4 1109 B8R0.28 CC(O)CNCC(C)F m_273610__13857892__11516404 [0,2,0,0,0,0|1,0,0]=3 1110 B8R0.28 CC(O)CNCC(C)O m_273610__11554114__11516404 [0,2,0,0,0,0|0,0,0]=2 1111 B8R0.28 CC(O)CNCC(F)Cl m_273610__21631496__11516404 [0,2,0,0,0,0|1,0,0]=3 1112 B8R0.28 CC(O)CNCC(F)F m_273610__21586922__11516404 [0,2,0,0,0,0|1,0,0]=3 1113 B8R0.28 CC(O)CSCC(=O)O m_7__26823__10902704 [0,2,0,0,0,0|1,0,1]=4 1114 B8R0.28 CC(O)CSCC(C)F m_7__10953796__16970746 [0,2,0,0,0,0|2,0,0]=4 1115 B8R0.28 CC(O)CSCC(C)O m_7__10953796__10902704 [0,2,0,0,0,0|1,0,0]=3 1116 B8R0.28 CC(O)CSCC(F)F m_7__10953796__16886816 [0,2,0,0,0,0|2,0,0]=4 1117 B8R0.28 CC(O)CSC[C@H](C)N m_7__20871336__10902704 [0,2,0,0,0,0|2,0,0]=4 1118 B8R0.22 C=CCN(CC)CCO m_2230__5001112__22383854 [0,2,0,0,0,0|1,0,1]=4 1119 B8R0.22 C=CCN(CCO)OC m_2230__9111768__680312 [0,2,0,0,0,0|1,0,1]=4 1120 B8R0.22 CCCC(CCO)NC m_2230__22404136__2463448 [0,2,0,0,0,0|2,0,0]=4 1121 B8R0.22 CCCC(CCO)SC m_7__22987938__5046 [0,2,0,0,0,0|2,0,0]=4 1122 B8R0.22 CCCN(CC)CCC m_2230__2234344__13271112 [0,2,0,0,0,0|2,0,0]=4 1123 B8R0.22 CCCN(CC)CCF m_2230__2234344__22320836 [0,2,0,0,0,0|2,0,0]=4 1124 B8R0.22 CCCN(CC)CCO m_2230__2234344__6165700 [0,2,0,0,0,0|1,0,0]=3 1125 B8R0.22 CCCN(CCO)OC m_2230__9111768__13271112 [0,2,0,0,0,0|1,0,0]=3 1126 B8R0.22 CCN(CC#N)CCO m_2230__3225026__680932 [0,2,0,0,0,0|1,0,1]=4 1127 B8R0.22 CCN(CCF)CCF m_2230__17607486__22320836 [0,2,0,0,0,0|2,0,0]=4 1128 B8R0.22 CCN(CCO)CCF m_2230__17607486__6165700 [0,2,0,0,0,0|1,0,0]=3 1129 B8R0.22 CCN(CCO)CCO m_270004__12203780__24715004 [0,2,0,0,0,0|0,0,0]=2 1130 B8R0.22 CON(CC#N)CCO m_2230__9111768__680932 [0,2,0,0,0,0|1,0,1]=4 1131 B8R0.22 CON(CCO)CCF m_2230__9111768__22320836 [0,2,0,0,0,0|1,0,0]=3 1132 B8R0.22 CON(CCO)CCO m_2230__9111768__6165700 [0,2,0,0,0,0|0,0,0]=2 1133 B8R0.30 O=S(=O)(CCO)CCF m_2714__6283136__8846984 [0,2,0,0,0,0|2,0,0]=4 1134 B8R0.30 O=S(=O)(CCO)CCO m_2714__6283136__3173174 [0,2,0,0,0,0|1,0,0]=3 1135 B6R1.3 CCSC1CC1 m_7__22987770__16761930 [1,0,0,1,0,0|2,0,0]=4 1136 B8R1.2 CCC1CNCCN1 m_269982__23917336__14064228 [0,1,0,1,0,0|2,0,0]=4 1137 B8R1.2 CSC1CCCNC1 m_7__22871154__5046 [0,1,0,1,0,0|1,1,0]=4 1138 B8R1.5 CC1CNCCN1C m_269982__7368790__14064228 [0,1,0,1,0,0|2,0,0]=4 1139 B8R1.8 CCCN1CCCC1 m_2230__678722__13271112 [0,1,0,1,0,0|2,0,0]=4 1140 B8R1.8 CSCC1CCCN1 m_7__22987948__5046 [0,1,0,1,0,0|1,1,0]=4 1141 B8R1.8 CSCC1CCCO1 m_62__875850__9419582 [0,1,0,1,0,0|1,1,0]=4 1142 B8R1.8 CSCC1OCCO1 m_7__22987978__5046 [0,1,0,1,0,0|1,1,0]=4 1143 B8R1.8 FCCN1CCCC1 m_2230__678722__22320836 [0,1,0,1,0,0|2,0,0]=4 1144 B8R1.8 NCCN1CCCC1 m_269982__7368900__14439794 [0,1,0,1,0,0|2,0,0]=4 1145 B8R1.8 OCCN1CCCC1 m_2230__678722__6165700 [0,1,0,1,0,0|1,0,0]=3 1146 B8R1.9 CCNC[C@@H]1C[C@H]1O m_270004__25073046__24715004 [0,1,0,1,0,0|2,0,0]=4 1147 B8R1.10 CCCNC1COC1 m_269862__7192572__7931470 [0,1,0,1,0,0|1,0,0]=3 1148 B8R1.10 CCCSC1COC1 m_7__13420946__14390332 [0,1,0,1,0,0|2,0,0]=4 1149 B8R1.10 CCNC[C@H]1CCO1 m_270004__23851266__24715004 [0,1,0,1,0,0|2,0,0]=4 1150 B8R1.10 CCSC[C@H]1CCO1 m_7__22987770__17058812 [0,1,0,1,0,0|2,0,0]=4 1151 B8R1.10 FCCNC1COC1 m_269862__9706110__7931470 [0,1,0,1,0,0|1,0,0]=3 1152 B8R1.10 FCCSC1COC1 m_7__13420946__22320828 [0,1,0,1,0,0|2,0,0]=4 1153 B8R1.10 N#CCCN1CCC1 m_63__8755088__91174 [0,1,0,1,0,0|2,0,0]=4 1154 B8R1.10 NCCSC1COC1 m_7__20871276__10173692 [0,1,0,1,0,0|2,0,0]=4 1155 B8R1.10 OCCNC1COC1 m_269862__7193048__7931470 [0,1,0,1,0,0|0,0,0]=2 1156 B8R1.10 OCCSC1CCC1 m_7__10684076__6166114 [0,1,0,1,0,0|2,0,0]=4 1157 B8R1.10 OCCSC1CNC1 m_7__22987816__102708 [0,1,0,1,0,0|2,0,0]=4 1158 B8R1.10 OCCSC1COC1 m_7__13420946__6166114 [0,1,0,1,0,0|1,0,0]=3 1159 B8R1.10 OCCSC1CSC1 m_7__20064714__6166114 [0,1,0,1,0,0|1,1,0]=4 1160 B8R1.11 CCC1CCCN1C m_2230__4599928__2463448 [0,1,0,1,0,0|2,0,0]=4 1161 B8R1.11 CN1CC=CC1CO m_2230__12911330__2463448 [0,1,0,1,0,0|1,0,1]=4 1162 B8R1.11 CN1CCCC1CO m_2230__3379024__2463448 [0,1,0,1,0,0|1,0,0]=3 1163 B8R1.11 CN1CCC[C@H]1CF m_2230__17313732__2463448 [0,1,0,1,0,0|2,0,0]=4 1164 B8R1.11 CNC1CCCC1O m_269862__7193148__15158002 [0,1,0,1,0,0|2,0,0]=4 1165 B8R1.11 CN[C@@H]1CNC[C@H]1C m_269982__22505224__14064228 [0,1,0,1,0,0|2,0,0]=4 1166 B8R1.11 CN[C@H]1CNC[C@H]1C m_269982__22505270__14064228 [0,1,0,1,0,0|2,0,0]=4 1167 B8R1.12 CCN1CCC1CO m_270004__24176176__24715004 [0,1,0,1,0,0|2,0,0]=4 1168 B8R1.12 CNC1CCC1CO m_269862__7193148__17047872 [0,1,0,1,0,0|2,0,0]=4 1169 B8R1.13 CCN[C@H]1CC[C@H]1O m_270004__20353356__24715004 [0,1,0,1,0,0|2,0,0]=4 1170 B8R1.13 CCSC1CCC1O m_7__22986908__5047 [0,1,0,1,0,0|2,0,0]=4 1171 B8R1.13 CSC[C@@H]1CC[C@H]1O m_62__875850__23862058 [0,1,0,1,0,0|1,1,0]=4 1172 B8R1.22 CN1CCC=CCC1 m_2230__22406010__2463448 [0,1,0,1,0,0|2,0,0]=4 1173 B8R1.22 CN1CCCCCC1 m_2230__678972__2463448 [0,1,0,1,0,0|2,0,0]=4 1174 B8R1.22 CN1CCCNCC1 m_269982__7368760__14064228 [0,1,0,1,0,0|2,0,0]=4 1175 B8R1.22 CN1CCCOCC1 m_2230__6727026__2463448 [0,1,0,1,0,0|1,0,0]=3 1176 B8R1.22 CN1CCCSCC1 m_2230__7912842__2463448 [0,1,0,1,0,0|1,1,0]=4 1177 B8R1.22 CN1CCNNCC1 m_269982__13907122__14064228 [0,1,0,1,0,0|2,0,0]=4 1178 B8R1.36 CCCNCC1CC1 m_207__109413__2989440 [0,1,0,1,0,0|2,0,0]=4 1179 B8R1.36 COCCSC1CC1 m_7__6362310__16761930 [0,1,0,1,0,0|2,0,0]=4 1180 B8R1.36 FCCNCC1CC1 m_207__18491578__2989440 [0,1,0,1,0,0|2,0,0]=4 1181 B8R1.36 N#CCCNC1CC1 m_273610__13857022__11515974 [0,1,0,1,0,0|2,0,0]=4 1182 B8R1.36 OCCCSC1CC1 m_7__22987858__6354 [0,1,0,1,0,0|2,0,0]=4 1183 B8R1.36 OCCNCC1CC1 m_207__121484__2989440 [0,1,0,1,0,0|1,0,0]=3 1184 B8R1.36 OCCSCC1CC1 m_7__10390288__102708 [0,1,0,1,0,0|2,0,0]=4 1185 B8R1.36 OCCSCC1CS1 m_7__128807__22787476 [0,1,0,1,0,0|1,1,0]=4 1186 B8R1.38 O=C(CO)N1CCC1 m_22__4785374__7941800 [0,1,0,1,0,0|1,0,1]=4 1187 B8R1.40 CC(CCl)NC1CC1 m_2230__22399894__16761932 [0,1,0,1,0,0|2,0,0]=4 1188 B8R1.40 CC(CO)NC1CC1 m_269862__7192602__15157990 [0,1,0,1,0,0|1,0,0]=3 1189 B8R1.40 CC(CO)SC1CC1 m_7__6338928__16761930 [0,1,0,1,0,0|2,0,0]=4 1190 B8R1.40 CCC(C)NC1CC1 m_2230__22399526__16761932 [0,1,0,1,0,0|2,0,0]=4 1191 B8R1.40 C[C@H](CF)NC1CC1 m_2230__22399906__16761932 [0,1,0,1,0,0|2,0,0]=4 1192 B8R1.40 C[C@H](CO)NC1CC1 m_2230__22399532__16761932 [0,1,0,1,0,0|1,0,0]=3 1193 B8R1.40 O=C(CO)NC1CC1 m_22__57910__7941800 [0,1,0,1,0,0|1,0,1]=4 1194 B8R1.41 CC1(CC1)NCCF m_2230__22404332__22320836 [0,1,0,1,0,0|2,0,0]=4 1195 B8R1.41 CC1(CC1)NCCO m_2230__22404332__6165700 [0,1,0,1,0,0|1,0,0]=3 1196 B8R1.41 CCCNC1(CC1)C m_2230__22404332__13271112 [0,1,0,1,0,0|2,0,0]=4 1197 B8R1.4 CC1CCCN(C1)C m_2230__678730__2463448 [0,1,0,1,0,0|2,0,0]=4 1198 B8R1.4 CC1CN(CCS1)C m_2230__19177976__2463448 [0,1,0,1,0,0|1,1,0]=4 1199 B8R1.4 CN1CC=CC(C1)O m_2230__22405908__2463448 [0,1,0,1,0,0|1,0,1]=4 1200 B8R1.4 CN1CCCC(C1)F m_2230__13466020__2463448 [0,1,0,1,0,0|2,0,0]=4 1201 B8R1.4 CN1CCCC(C1)O m_2230__678744__2463448 [0,1,0,1,0,0|1,0,0]=3 1202 B8R1.4 CN1CCC[C@@H](C1)N m_269982__13151830__14064228 [0,1,0,1,0,0|2,0,0]=4 1203 B8R1.4 C[C@@H]1CN(CCN1)C m_269982__10880298__14064228 [0,1,0,1,0,0|2,0,0]=4 1204 B8R1.4 C[C@H]1CN(CCO1)C m_2230__17693332__2463448 [0,1,0,1,0,0|1,0,0]=3 1205 B8R1.6 CCCN1CC(C1)F m_2230__15542798__13271112 [0,1,0,1,0,0|2,0,0]=4 1206 B8R1.6 FCCN1CC(C1)F m_2230__15542798__22320836 [0,1,0,1,0,0|2,0,0]=4 1207 B8R1.6 OCCN1CC(C1)F m_2230__15542798__6165700 [0,1,0,1,0,0|1,0,0]=3 1208 B8R1.34 CC(O)CN1CCC1 m_63__8755088__10903854 [0,1,0,1,0,0|1,0,0]=3 1209 B8R1.35 CC(C)CNC1CC1 m_207__109430__121216 [0,1,0,1,0,0|2,0,0]=4 1210 B8R1.35 CC(O)CNC1CC1 m_273610__13857022__11516404 [0,1,0,1,0,0|1,0,0]=3 1211 B8R1.35 CC(O)CSC1CC1 m_7__10953796__16761930 [0,1,0,1,0,0|2,0,0]=4 1212 B8R1.18 CC1CN(CC1C)C m_2230__6338258__2463448 [0,1,0,1,0,0|2,0,0]=4 1213 B8R1.18 CC1CN(CC1N)C m_269982__10880330__14064228 [0,1,0,1,0,0|2,0,0]=4 1214 B8R1.18 CN1C[C@@H]([C@H](C1)F)F m_2230__22406828__2463448 [0,1,0,1,0,0|2,0,0]=4 1215 B8R1.18 CN1C[C@@H]([C@H](C1)F)O m_2230__13811400__2463448 [0,1,0,1,0,0|1,0,0]=3 1216 B8R1.18 CN1C[C@@H]([C@H](C1)F)O m_2230__22407102__2463448 [0,1,0,1,0,0|1,0,0]=3 1217 B8R1.18 CN1C[C@H]([C@@H](C1)O)O m_2230__15140100__2463448 [0,1,0,1,0,0|0,0,0]=2 1218 B8R1.18 C[C@@H]1CN(C[C@H]1O)C m_2230__15264148__2463448 [0,1,0,1,0,0|1,0,0]=3 1219 B8R1.18 C[C@H]1CN(C[C@@H]1C)C m_2230__23835036__2463448 [0,1,0,1,0,0|2,0,0]=4 1220 B8R1.18 C[C@H]1CN(C[C@@H]1N)C m_269982__13223216__14064228 [0,1,0,1,0,0|2,0,0]=4 1221 B8R1.18 C[C@H]1CN(C[C@@H]1O)C m_2230__13613406__2463448 [0,1,0,1,0,0|1,0,0]=3 1222 B8R1.18 C[C@H]1CN(C[C@H]1F)C m_2230__14321310__2463448 [0,1,0,1,0,0|2,0,0]=4 1223 B8R1.37 CCCN(C)C1CC1 m_2230__2261920__16761932 [0,1,0,1,0,0|2,0,0]=4 1224 B8R1.37 CN(CCF)C1CC1 m_2230__804662__22320836 [0,1,0,1,0,0|2,0,0]=4 1225 B8R1.37 CN(CCO)C1CC1 m_2230__804662__6165700 [0,1,0,1,0,0|1,0,0]=3