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AIFCHEM-94599493311 [0,2,0,0,0,0|1,0,0]=3 563 B21R0.12937 CCOC(=O)CCCCCNCCCCCCCC(=O)OC AIFCHEM-5805832725 [0,2,0,0,0,0|1,0,1]=4 564 B21R0.18401 CCCCCCCCCCCCCC(=O)NCC(=O)NCC AIFCHEM-5793918096 [0,2,0,0,0,0|1,0,1]=4 565 B21R0.18401 CCCCCCCCCCCCCC(=O)NCC(=O)OCC AIFCHEM-5593871665 [0,2,0,0,0,0|0,0,1]=3 566 B21R0.18401 CCCCCCCCCCCCCC(C)NCC(=O)OCC AIFCHEM-5593302380 [0,2,0,0,0,0|0,0,0]=2 567 B21R0.18401 CCCCCCCCCCCCNC(=O)CCC(=O)CCC AIFCHEM-94536264861 [0,2,0,0,0,0|1,0,1]=4 568 B21R0.18401 CCCCCCCCCCCCNC(=O)CCC(=O)OCC AIFCHEM-5625656157 [0,2,0,0,0,0|0,0,1]=3 569 B21R0.18401 CCCCCCCCCCCCNC(=O)CNC(=O)OCC AIFCHEM-5684537880 [0,2,0,0,0,0|1,0,1]=4 570 B21R0.18401 CCCCCCCCCCCCNC(C)CCC(=O)OCC AIFCHEM-94584454054 [0,2,0,0,0,0|0,0,0]=2 571 B21R0.19193 CCCCCCCCCC(=O)NCCCCCC(=O)OCC AIFCHEM-5787826864 [0,2,0,0,0,0|0,0,1]=3 572 B21R0.19193 CCCCCCCCCC(C)CNCCCCC(=O)OCC AIFCHEM-94601549914 [0,2,0,0,0,0|0,0,0]=2 573 B21R0.19193 CCCCCCCCCC(C)NCCCCCC(=O)OCC AIFCHEM-5787174063 [0,2,0,0,0,0|0,0,0]=2 574 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AIFCHEM-5818701326 [0,2,0,0,0,0|0,0,0]=2 586 B21R0.36262 CCCCCCCCCCCCCNC(C)CC(=O)OCC AIFCHEM-94552330687 [0,2,0,0,0,0|0,0,0]=2 587 B21R0.36262 CCOC(=O)CC(C)NCCCCCCCCCCCCO AIFCHEM-94544067392 [0,2,0,0,0,0|1,0,0]=3 588 B21R0.36390 CCCC(C)NCCCCCCCCCCCC(=O)OCC AIFCHEM-94599489585 [0,2,0,0,0,0|0,0,0]=2 589 B21R0.36390 CCOC(=O)CCCCCCCCCCCNC(=O)CCO AIFCHEM-94599502338 [0,2,0,0,0,0|1,0,1]=4 590 B21R0.36390 CCOC(=O)CCCCCCCCCCCNC(=O)COC AIFCHEM-94599503289 [0,2,0,0,0,0|1,0,1]=4 591 B21R0.36390 CCOC(=O)CCCCCCCCCCCNC(=O)CSC AIFCHEM-94599500365 [0,2,0,0,0,0|1,0,1]=4 592 B21R0.36390 CCOC(=O)CCCCCCCCCCCNC(C)CC#N AIFCHEM-94599492114 [0,2,0,0,0,0|1,0,1]=4 593 B21R0.36390 CCOC(=O)CCCCCCCCCCCNC(C)CCO AIFCHEM-94599494064 [0,2,0,0,0,0|1,0,0]=3 594 B21R0.36390 CCOC(=O)CCCCCCCCCCCNC(C)COC AIFCHEM-94599494047 [0,2,0,0,0,0|1,0,0]=3 595 B21R0.36390 CCOC(=O)CCCCCCNCCCCCC(=O)OCC AIFCHEM-5693468562 [0,2,0,0,0,0|1,0,1]=4 596 B21R0.36394 C#CCN(C)C(=O)CCCCCCCCCCCCCCC AIFCHEM-94583488101 [0,2,0,0,0,0|1,0,1]=4 597 B21R0.36394 CCCCCCCCCCCCCCCC(=O)N(C)CCC AIFCHEM-5802581693 [0,2,0,0,0,0|1,0,0]=3 598 B21R0.36394 CCCCCCCCCCCCCCNC(=O)C(C)CCC AIFCHEM-6161368374 [0,2,0,0,0,0|2,0,0]=4 599 B21R0.36394 CCCCCCCCCCCCCCNC(C)C(=O)OCC AIFCHEM-5824049452 [0,2,0,0,0,0|0,0,0]=2 600 B21R0.36394 CCCCCCCCCCCCCCN[C@@H](C)C(=O)NCC AIFCHEM-94595322122 [0,2,0,0,0,0|1,0,0]=3 601 B21R0.36394 CCCCCCCCCCCCCCN[C@@H](C)C(=O)OCC AIFCHEM-5870046173 [0,2,0,0,0,0|0,0,0]=2 602 B21R0.36394 CCCCCCCCCCCCCCN[C@@H](C)C(=O)SCC AIFCHEM-5725244195 [0,2,0,0,0,0|0,1,0]=3 603 B21R0.36394 CCCCCCCCCCCCCCN[C@H](C)C(=O)OCC AIFCHEM-6133280900 [0,2,0,0,0,0|0,0,0]=2 604 B21R0.36394 CCCCCCCCCCCCCNCC(C)C(=O)OCC AIFCHEM-94552332337 [0,2,0,0,0,0|0,0,0]=2 605 B21R0.36394 CCCCCCCCCCCCSCCC(=O)N(C)CCC AIFCHEM-94539302128 [0,2,0,0,0,0|2,0,0]=4 606 B21R0.36394 CCCN(C)C(=O)CCCCCCCCCCCCCCO AIFCHEM-5879011845 [0,2,0,0,0,0|2,0,0]=4 607 B21R0.36394 CCOC(=O)C(C)CNCCCCCCCCCCCCO AIFCHEM-6390257754 [0,2,0,0,0,0|1,0,0]=3 608 B21R0.120 CCCCCCCC(O)CC(=O)NCCCCC(=O)OCC AIFCHEM-6154739974 [0,2,0,0,0,0|1,0,1]=4 609 B21R0.36250 CCCCCCCC(C)C(=O)NCCCCCC(=O)OCC AIFCHEM-94574203200 [0,2,0,0,0,0|1,0,1]=4 610 B21R0.36250 CCCCCCCN(C)C(=O)CCCCCCC(=O)OCC AIFCHEM-6000715691 [0,2,0,0,0,0|1,0,1]=4 611 B21R0.36438 CCCCCCC(C)C(=O)NCCCCCCC(=O)OCC AIFCHEM-5694091658 [0,2,0,0,0,0|1,0,1]=4 612 B21R0.36438 CCCCCCC(O)C(=O)NCCCCCCC(=O)OCC AIFCHEM-5697378672 [0,2,0,0,0,0|1,0,1]=4 613 B21R0.36438 CCCCCCN(C)C(=O)CCCCCCCC(=O)OCC AIFCHEM-6020607291 [0,2,0,0,0,0|1,0,1]=4 614 B21R0.36508 CCCCC(C)CCC(=O)NCCCCCCC(=O)OCC AIFCHEM-5697178161 [0,2,0,0,0,0|1,0,1]=4 615 B21R0.40417 CCOC(=O)CCCCCCNC(=O)CCCCC(C)CC AIFCHEM-5694441319 [0,2,0,0,0,0|1,0,1]=4 616 B21R0.13162 CCOC(=O)CCCCCNC(=O)CCCCCCC(C)C AIFCHEM-5866814679 [0,2,0,0,0,0|1,0,1]=4 617 B21R0.18403 CCCCCCC(C)NC(=O)CCCCCCC(=O)OCC AIFCHEM-94531839057 [0,2,0,0,0,0|1,0,1]=4 618 B21R0.18403 CCCCCC[C@@H](C)NC(=O)CCCCCCC(=O)OCC AIFCHEM-6136335470 [0,2,0,0,0,0|1,0,1]=4 619 B21R0.18403 CCCCCC[C@H](C)NC(=O)CCCCCCC(=O)OCC AIFCHEM-5803889112 [0,2,0,0,0,0|1,0,1]=4 620 B21R0.24487 CCCCCC(C)CCC(=O)NCCCCCC(=O)OCC AIFCHEM-5787595501 [0,2,0,0,0,0|1,0,1]=4 621 B21R0.253753 CCCCCCCCCC(C)CN(C)CCCC(=O)OCC AIFCHEM-94601555702 [0,2,0,0,0,0|1,0,0]=3 622 B21R0.5876 CCCN(C)C(=O)CCCCCCCCCCC(=O)OCC AIFCHEM-94563085635 [0,2,0,0,0,0|1,0,1]=4 623 B21R0.9191 CCCCC(CC)COCCCNCCCCC(=O)OCC AIFCHEM-5999310406 [0,2,0,0,0,0|2,0,0]=4 624 B21R0.12943 CCOC(=O)CCCCCCCCCCC(=O)NCC(C)C AIFCHEM-94563084388 [0,2,0,0,0,0|1,0,1]=4 625 B21R0.2970 CC(C)N(C)C(=O)CCCCCCCCCCCCCCO AIFCHEM-94547948018 [0,2,0,0,0,0|2,0,0]=4 626 B21R0.2970 CCCCCCCCCCCCCCCC(=O)N(C)C(C)C AIFCHEM-94547948821 [0,2,0,0,0,0|1,0,0]=3 627 B21R0.2970 CCCCCCCCCCCCCCNC(=O)C(C)C(C)C AIFCHEM-6178620118 [0,2,0,0,0,0|2,0,0]=4 628 B21R0.2970 CCCCCCCCCCCCCCNC(=O)[C@@H](O)C(C)C AIFCHEM-6143660594 [0,2,0,0,0,0|2,0,0]=4 629 B21R0.2970 CCCCCCCCCCCCCCNC(=O)[C@H](O)C(C)C AIFCHEM-6120599596 [0,2,0,0,0,0|2,0,0]=4 630 B21R0.2970 CCCCCCCCCCCCSCCC(=O)N(C)C(C)C AIFCHEM-94547944132 [0,2,0,0,0,0|2,0,0]=4 631 B21R0.10550 CCCCCCCCCCCCCCNC(=O)C(C)(C)CC AIFCHEM-6142219612 [0,2,0,0,0,0|2,0,0]=4 632 B21R0.10550 CCCCCCCCCCCCCCNC(=O)C(C)(O)CC AIFCHEM-6161642142 [0,2,0,0,0,0|2,0,0]=4 633 B21R0.32107 CCCCCCCCCCCCCCC(C)C(=O)N(C)CC AIFCHEM-94588491903 [0,2,0,0,0,0|1,0,0]=3 634 B21R0.32107 CCCCCCCCCCCCCCC(O)C(=O)N(C)CC AIFCHEM-6173282383 [0,2,0,0,0,0|1,0,0]=3 635 B21R0.36396 CCCCCCCCCCCCCCNC(=O)C(CC)CC AIFCHEM-6143664004 [0,2,0,0,0,0|2,0,0]=4 636 B21R0.185 CCOC(=O)CCCCCCCCCCCNC(CC)CC AIFCHEM-94599495889 [0,2,0,0,0,0|1,0,0]=3 637 B21R0.185 CCOC(=O)CCCCCCCCCCCNC(CC)CO AIFCHEM-94599493520 [0,2,0,0,0,0|1,0,0]=3 638 B21R0.185 CCOC(=O)CCCCCCCCCCCNC(CO)CO AIFCHEM-94606750879 [0,2,0,0,0,0|2,0,0]=4 639 B21R0.12939 CCOC(=O)CCCCCCCCCCCNC(=O)C(C)C AIFCHEM-94599504220 [0,2,0,0,0,0|1,0,1]=4 640 B21R0.12939 CCOC(=O)CCCCCCCCCCCNC(=O)C(C)O AIFCHEM-94571307336 [0,2,0,0,0,0|1,0,1]=4 641 B21R0.12939 CCOC(=O)CCCCCCCCCCCNC(=O)[C@@H](C)O AIFCHEM-94599496197 [0,2,0,0,0,0|1,0,1]=4 642 B21R0.12939 CCOC(=O)CCCCCCCCCCCNC(=O)[C@H](C)O AIFCHEM-94599504221 [0,2,0,0,0,0|1,0,1]=4 643 B21R0.12939 CCOC(=O)CCCCCCCCCCCNC(C)C(C)C AIFCHEM-94599493879 [0,2,0,0,0,0|1,0,0]=3 644 B21R0.12939 CCOC(=O)CCCCCCCCCCCNC(C)C(C)O AIFCHEM-94599493546 [0,2,0,0,0,0|1,0,0]=3 645 B21R0.12939 CCOC(=O)CCCCCCCCCCCNC(C)C(F)F AIFCHEM-94599493243 [0,2,0,0,0,0|2,0,0]=4 646 B21R0.13153 CCOC(=O)CNC(=O)CCCCCCCCCCC(C)C AIFCHEM-94601257166 [0,2,0,0,0,0|1,0,1]=4 647 B21R0.13178 CCOC(=O)CN(C)CCCCCCCCCCCC(C)C AIFCHEM-5883600170 [0,2,0,0,0,0|1,0,0]=3 648 B21R0.16616 CC(C)CCCCCCCCCCCNCC(=O)NCCF AIFCHEM-5895138801 [0,2,0,0,0,0|2,0,0]=4 649 B21R0.30591 CCNC(=O)[C@H](C)NCCCCCCCCCCCC(C)C AIFCHEM-94595326879 [0,2,0,0,0,0|2,0,0]=4 650 B21R0.30591 CCOC(=O)[C@H](C)NCCCCCCCCCCCC(C)C AIFCHEM-5850946896 [0,2,0,0,0,0|1,0,0]=3 651 B21R0.30591 CCSC(=O)[C@H](C)NCCCCCCCCCCCC(C)C AIFCHEM-5708350079 [0,2,0,0,0,0|1,1,0]=4 652 B21R0.25371 CCCCCCCCCCCCC(=O)NCC(=O)OC(C)C AIFCHEM-6265070290 [0,2,0,0,0,0|1,0,1]=4 653 B21R0.32102 CCCCCCCCCCCCCCC(C)C(=O)NC(C)C AIFCHEM-94588485749 [0,2,0,0,0,0|1,0,0]=3 654 B21R0.32102 CCCCCCCCCCCCCCC(O)C(=O)NC(C)C AIFCHEM-94520551066 [0,2,0,0,0,0|1,0,0]=3 655 B21R0.36393 C#CC(C)NC(=O)CCCCCCCCCCCCCCC AIFCHEM-5770362782 [0,2,0,0,0,0|1,0,0]=3 656 B21R0.36393 C#CC(C)NC(=O)CCCCCCCCCCCCCCO AIFCHEM-5727640406 [0,2,0,0,0,0|2,0,0]=4 657 B21R0.36393 C#CC(C)NC(=O)CCSCCCCCCCCCCCC AIFCHEM-94539300352 [0,2,0,0,0,0|2,0,0]=4 658 B21R0.36393 C#C[C@H](C)NC(=O)CCCCCCCCCCCCCCC AIFCHEM-94583483764 [0,2,0,0,0,0|1,0,0]=3 659 B21R0.36393 C#C[C@H](C)NC(=O)CCCCCCCCCCCCCCO AIFCHEM-6073573786 [0,2,0,0,0,0|2,0,0]=4 660 B21R0.36393 C#C[C@H](C)NC(=O)CCSCCCCCCCCCCCC AIFCHEM-94539295284 [0,2,0,0,0,0|2,0,0]=4 661 B21R0.36393 CC(CF)NC(=O)CCCCCCCCCCCCCCO AIFCHEM-6127808712 [0,2,0,0,0,0|2,0,0]=4 662 B21R0.36393 CCCCCCCCCCCCCCCC(=O)NC(C)CF AIFCHEM-6107237494 [0,2,0,0,0,0|1,0,0]=3 663 B21R0.36393 CCCCCCCCCCCCCCCC(=O)N[C@@H](C)CF AIFCHEM-6082133756 [0,2,0,0,0,0|1,0,0]=3 664 B21R0.36393 CCCCCCCCCCCCCCCC(=O)N[C@H](C)CF AIFCHEM-94583487272 [0,2,0,0,0,0|1,0,0]=3 665 B21R0.36393 CCCCCCCCCCCCCCNC(=O)CC(C)CC AIFCHEM-6143469177 [0,2,0,0,0,0|2,0,0]=4 666 B21R0.36393 CCCCCCCCCCCCCCNC(=O)C[C@@H](C)CC AIFCHEM-6161483237 [0,2,0,0,0,0|2,0,0]=4 667 B21R0.36393 CCCCCCCCCCCCSCCC(=O)NC(C)CF AIFCHEM-94539304906 [0,2,0,0,0,0|2,0,0]=4 668 B21R0.36393 CCCCCCCCCCCCSCCC(=O)N[C@@H](C)CF AIFCHEM-94539300624 [0,2,0,0,0,0|2,0,0]=4 669 B21R0.36393 CCCCCCCCCCCCSCCC(=O)N[C@H](C)CF AIFCHEM-94539298792 [0,2,0,0,0,0|2,0,0]=4 670 B21R0.36393 C[C@@H](CF)NC(=O)CCCCCCCCCCCCCCO AIFCHEM-6033865565 [0,2,0,0,0,0|2,0,0]=4 671 B21R0.36393 C[C@H](CF)NC(=O)CCCCCCCCCCCCCCO AIFCHEM-6110139181 [0,2,0,0,0,0|2,0,0]=4 672 B21R0.36405 CC(C)(C)NC(=O)CCCCCCCCCCCCCCO AIFCHEM-94527127307 [0,2,0,0,0,0|2,0,0]=4 673 B21R0.36405 CC(C)(C)OC(=O)CCCNCCCCCCCCCCO AIFCHEM-6508791427 [0,2,0,0,0,0|2,0,0]=4 674 B21R0.36405 CCCCCCCCCCCCCCCC(=O)NC(C)(C)C AIFCHEM-94527125806 [0,2,0,0,0,0|1,0,0]=3 675 B21R0.36405 CCCCCCCCCCCCCCNC(=O)CC(C)(C)Br AIFCHEM-94607809674 [0,2,0,0,0,0|2,0,0]=4 676 B21R0.36405 CCCCCCCCCCCCCCNC(=O)CC(C)(C)C AIFCHEM-6120503948 [0,2,0,0,0,0|2,0,0]=4 677 B21R0.36405 CCCCCCCCCCCCCCNC(=O)CC(C)(C)Cl AIFCHEM-94604517661 [0,2,0,0,0,0|2,0,0]=4 678 B21R0.36405 CCCCCCCCCCCCNCCC(=O)OC(C)(C)C AIFCHEM-5717312931 [0,2,0,0,0,0|1,0,0]=3 679 B21R0.36405 CCCCCCCCCCCCSCCC(=O)NC(C)(C)C AIFCHEM-94527123421 [0,2,0,0,0,0|2,0,0]=4 680 B21R0.36405 CCCCCCCCCCCNCCCC(=O)OC(C)(C)C AIFCHEM-5857637291 [0,2,0,0,0,0|1,0,0]=3 681 B21R0.36405 CCCCCCCCCCCNCCNC(=O)OC(C)(C)C AIFCHEM-5915003475 [0,2,0,0,0,0|2,0,0]=4 682 B21R0.36405 CCCCCCCCCCNCCCCC(=O)OC(C)(C)C AIFCHEM-5819448959 [0,2,0,0,0,0|1,0,0]=3 683 B21R0.36405 CCCCCCCCCCNCCCNC(=O)OC(C)(C)C AIFCHEM-94598655596 [0,2,0,0,0,0|2,0,0]=4 684 B21R0.36405 CCCCCCCCCNCCCCCC(=O)OC(C)(C)C AIFCHEM-5744711448 [0,2,0,0,0,0|1,0,0]=3 685 B21R0.36405 CCCCCCCCCNCCCCNC(=O)OC(C)(C)C AIFCHEM-5663433229 [0,2,0,0,0,0|2,0,0]=4 686 B21R0.36405 CCCCCCCCCNCCOCCC(=O)OC(C)(C)C AIFCHEM-6075249599 [0,2,0,0,0,0|2,0,0]=4 687 B21R0.36405 CCCCCCCCNCCCCCCC(=O)OC(C)(C)C AIFCHEM-6208427911 [0,2,0,0,0,0|1,0,0]=3 688 B21R0.36405 CCCCCCCCNCCCCCNC(=O)OC(C)(C)C AIFCHEM-94576359815 [0,2,0,0,0,0|2,0,0]=4 689 B21R0.36405 CCCCCCCNCCCCCCCC(=O)OC(C)(C)C AIFCHEM-94589449008 [0,2,0,0,0,0|1,0,0]=3 690 B21R0.36405 CCCCCCCNCCCCCCNC(=O)OC(C)(C)C AIFCHEM-94560901180 [0,2,0,0,0,0|2,0,0]=4 691 B21R0.36405 CCCCCNCCCCCCCCNC(=O)OC(C)(C)C AIFCHEM-94551438147 [0,2,0,0,0,0|2,0,0]=4 692 B21R0.36405 CCCCNCCCCCCCCCCC(=O)OC(C)(C)C AIFCHEM-94523034888 [0,2,0,0,0,0|1,0,0]=3 693 B21R0.36405 CCCCNCCCCCCCCCNC(=O)OC(C)(C)C AIFCHEM-94523038569 [0,2,0,0,0,0|2,0,0]=4 694 B21R0.36405 CCCNCCCCCCCCCCNC(=O)OC(C)(C)C AIFCHEM-94569015528 [0,2,0,0,0,0|2,0,0]=4 695 B21R0.36662 CCCCCCCCCCCCNC(C)CC(=O)OC(C)C AIFCHEM-5615329784 [0,2,0,0,0,0|1,0,0]=3 696 B21R0.9169 CCCCCCCCCCCC(=O)NC(C)CC(=O)OCC AIFCHEM-94536656765 [0,2,0,0,0,0|1,0,1]=4 697 B21R0.9169 CCCCCCCCCCCC(=O)N[C@@H](C)CC(=O)OCC AIFCHEM-6054179149 [0,2,0,0,0,0|1,0,1]=4 698 B21R0.9169 CCCCCCCCCCCC(C)NC(C)CC(=O)OCC AIFCHEM-5762788915 [0,2,0,0,0,0|1,0,0]=3 699 B21R0.10984 CCCCCCCCCCCC(=O)N(C)CCC(=O)OCC AIFCHEM-94536653629 [0,2,0,0,0,0|1,0,1]=4 700 B21R0.18310 CCCCCCCCCCC(=O)N(C)CCCC(=O)OCC AIFCHEM-5902179968 [0,2,0,0,0,0|1,0,1]=4 701 B21R0.18310 CCCCCCCCCCN(C)C(=O)CCCC(=O)OCC AIFCHEM-94561123151 [0,2,0,0,0,0|1,0,1]=4 702 B21R0.2971 C#CCCCC(=O)NCCCCCCCCCCCCCC AIFCHEM-6142566779 [0,2,0,0,0,0|2,0,0]=4 703 B21R0.2971 C#CCCNC(=O)CCCCCCCCCCCCCCC AIFCHEM-94541769720 [0,2,0,0,0,0|1,0,0]=3 704 B21R0.2971 C#CCCNC(=O)CCCCCCCCCCCCCCO AIFCHEM-6020824959 [0,2,0,0,0,0|2,0,0]=4 705 B21R0.2971 C#CCCNC(=O)CCSCCCCCCCCCCCC AIFCHEM-94539295225 [0,2,0,0,0,0|2,0,0]=4 706 B21R0.2971 C#CCOCC(=O)NCCCCCCCCCCCCCC AIFCHEM-6160416563 [0,2,0,0,0,0|1,0,1]=4 707 B21R0.2971 CC#CCNC(=O)CCCCCCCCCCCCCCC AIFCHEM-5694789354 [0,2,0,0,0,0|1,0,0]=3 708 B21R0.2971 CC#CCNC(=O)CCCCCCCCCCCCCCO AIFCHEM-5719653524 [0,2,0,0,0,0|2,0,0]=4 709 B21R0.2971 CC#CCNC(=O)CCSCCCCCCCCCCCC AIFCHEM-94539300855 [0,2,0,0,0,0|2,0,0]=4 710 B21R0.2971 CC/C=C/CC(=O)NCCCCCCCCCCCCCC AIFCHEM-6160870060 [0,2,0,0,0,0|2,0,0]=4 711 B21R0.2971 CCCCCCCCCCCCCCCC(=O)NCCC#N AIFCHEM-94583484254 [0,2,0,0,0,0|1,0,0]=3 712 B21R0.2971 CCCCCCCCCCCCCCCC(=O)NCCCC AIFCHEM-94570980648 [0,2,0,0,0,0|1,0,0]=3 713 B21R0.2971 CCCCCCCCCCCCCCCC(=O)NCCOC AIFCHEM-6039472464 [0,2,0,0,0,0|1,0,0]=3 714 B21R0.2971 CCCCCCCCCCCCCCCC(=O)NCCSC AIFCHEM-94583491254 [0,2,0,0,0,0|1,0,0]=3 715 B21R0.2971 CCCCCCCCCCCCCCCC(=O)NCOC=O AIFCHEM-94595116603 [0,2,0,0,0,0|1,0,1]=4 716 B21R0.2971 CCCCCCCCCCCCCCNC(=O)C#CCCO AIFCHEM-6120707703 [0,2,0,0,0,0|2,0,0]=4 717 B21R0.2971 CCCCCCCCCCCCCCNC(=O)C#CCOC AIFCHEM-94547728054 [0,2,0,0,0,0|2,0,0]=4 718 B21R0.2971 CCCCCCCCCCCCCCNC(=O)CCCCC AIFCHEM-94585550579 [0,2,0,0,0,0|2,0,0]=4 719 B21R0.2971 CCCCCCCCCCCCCCNC(=O)COCCC AIFCHEM-6178520576 [0,2,0,0,0,0|1,0,0]=3 720 B21R0.2971 CCCCCCCCCCCCSCCC(=O)NCCC#N AIFCHEM-94539295774 [0,2,0,0,0,0|2,0,0]=4 721 B21R0.2971 CCCCCCCCCCCCSCCC(=O)NCCCC AIFCHEM-94539299972 [0,2,0,0,0,0|2,0,0]=4 722 B21R0.2971 CCCCCCCCCCCCSCCC(=O)NCCOC AIFCHEM-94539292616 [0,2,0,0,0,0|2,0,0]=4 723 B21R0.2971 CCCCCCCCCCCCSCCC(=O)NCCSC AIFCHEM-94539296974 [0,2,0,0,0,0|2,0,0]=4 724 B21R0.2971 CCCCNC(=O)CCCCCCCCCCCCCCO AIFCHEM-94570982149 [0,2,0,0,0,0|2,0,0]=4 725 B21R0.2971 COCCNC(=O)CCCCCCCCCCCCCCO AIFCHEM-6016212452 [0,2,0,0,0,0|2,0,0]=4 726 B21R0.2971 CSCCNC(=O)CCCCCCCCCCCCCCO AIFCHEM-94598931224 [0,2,0,0,0,0|2,0,0]=4 727 B21R0.10753 CCCCCCCCCCCCC(=O)NCC(=O)OCCC AIFCHEM-94602843390 [0,2,0,0,0,0|1,0,1]=4 728 B21R0.10753 CCCCCCCCCCCCC(C)NCC(=O)NCCF AIFCHEM-5895479349 [0,2,0,0,0,0|2,0,0]=4 729 B21R0.10753 CCCOC(=O)CCC(C)NCCCCCCCCCCO AIFCHEM-6512617221 [0,2,0,0,0,0|2,0,0]=4 730 B21R0.18402 CCCCCCCCCCCCNC(C)CC(=O)NCCO AIFCHEM-5615436670 [0,2,0,0,0,0|2,0,0]=4 731 B21R0.25351 C#CCNC(=O)C(C)CCCCCCCCCCCCCC AIFCHEM-94588488243 [0,2,0,0,0,0|1,0,1]=4 732 B21R0.25351 C#CCNC(=O)C(O)CCCCCCCCCCCCCC AIFCHEM-6195426522 [0,2,0,0,0,0|1,0,1]=4 733 B21R0.25351 CCCCCCCCCCCCCCC(C)C(=O)NCCC AIFCHEM-94588482332 [0,2,0,0,0,0|1,0,0]=3 734 B21R0.25351 CCCCCCCCCCCCCCC(C)C(=O)NCCF AIFCHEM-94588490452 [0,2,0,0,0,0|1,0,0]=3 735 B21R0.25351 CCCCCCCCCCCCCCC(O)C(=O)NCCC AIFCHEM-5793463379 [0,2,0,0,0,0|1,0,0]=3 736 B21R0.25351 CCCCCCCCCCCCCCC(O)C(=O)NCCF AIFCHEM-5802390468 [0,2,0,0,0,0|1,0,0]=3 737 B21R0.36773 CC(=O)CNC(=O)CCCCCCCCCCCCCCO AIFCHEM-6039658812 [0,2,0,0,0,0|2,0,0]=4 738 B21R0.36773 CC(C)CNC(=O)CCCCCCCCCCCCCCO AIFCHEM-6144649865 [0,2,0,0,0,0|2,0,0]=4 739 B21R0.36773 CCCCCCCCCCCCCCCC(=O)NCC(=O)N AIFCHEM-94583484815 [0,2,0,0,0,0|1,0,1]=4 740 B21R0.36773 CCCCCCCCCCCCCCCC(=O)NCC(C)C AIFCHEM-6163886796 [0,2,0,0,0,0|1,0,0]=3 741 B21R0.36773 CCCCCCCCCCCCCCCC(=O)NCC(F)F AIFCHEM-94583492046 [0,2,0,0,0,0|1,0,0]=3 742 B21R0.36773 CCCCCCCCCCCCCCNC(=O)CCC(C)C AIFCHEM-6160695200 [0,2,0,0,0,0|2,0,0]=4 743 B21R0.36773 CCCCCCCCCCCCCCNC(=O)CCN(C)C AIFCHEM-94548658425 [0,2,0,0,0,0|2,0,0]=4 744 B21R0.36773 CCCCCCCCCCCCCCNC(=O)COC(=O)C AIFCHEM-6120909815 [0,2,0,0,0,0|1,0,1]=4 745 B21R0.36773 CCCCCCCCCCCCCCNC(=O)CSC(C)C AIFCHEM-6160308839 [0,2,0,0,0,0|1,1,0]=4 746 B21R0.36773 CCCCCCCCCCCCSCCC(=O)NCC(=O)C AIFCHEM-94539303422 [0,2,0,0,0,0|2,0,0]=4 747 B21R0.36773 CCCCCCCCCCCCSCCC(=O)NCC(C)C AIFCHEM-94539300881 [0,2,0,0,0,0|2,0,0]=4 748 B21R0.36773 CCCCCCCCCCCCSCCC(=O)NCC(F)F AIFCHEM-94539303566 [0,2,0,0,0,0|2,0,0]=4 749 B21R0.25378 CCCCCCCCCCCCN(C)C(C)CC(=O)OCC AIFCHEM-94551100457 [0,2,0,0,0,0|1,0,0]=3 750 B21R0.25509 CCCCCCCCCCCCNC(=O)C(C)C(=O)OCC AIFCHEM-94584461215 [0,2,0,0,0,0|1,0,1]=4 751 B21R0.448747 CCCCCCCCCCCCNC(C)(C)CC(=O)OCC AIFCHEM-6105421437 [0,2,0,0,0,0|1,0,0]=3 752 B21R0.25458 CCCCCCCCCCCCNCC(C)(C)C(=O)OCC AIFCHEM-5734342688 [0,2,0,0,0,0|1,0,0]=3 753 B21R0.36952 CCCCCCCCCCCCC(=O)NC(C)C(=O)OCC AIFCHEM-5847759545 [0,2,0,0,0,0|1,0,1]=4 754 B21R0.36952 CCCCCCCCCCCCC(=O)N[C@@H](C)C(=O)OCC AIFCHEM-5825486037 [0,2,0,0,0,0|1,0,1]=4 755 B21R0.36952 CCCCCCCCCCCCC(=O)N[C@H](C)C(=O)OCC AIFCHEM-6133860038 [0,2,0,0,0,0|1,0,1]=4 756 B21R0.36952 CCCCCCCCCCCCC(C)NC(C)C(=O)OCC AIFCHEM-5832093509 [0,2,0,0,0,0|1,0,0]=3 757 B21R0.36952 CCCCCCCCCCCCC(C)N[C@@H](C)C(=O)NCC AIFCHEM-94595323971 [0,2,0,0,0,0|2,0,0]=4 758 B21R0.36952 CCCCCCCCCCCCC(C)N[C@@H](C)C(=O)OCC AIFCHEM-5797197252 [0,2,0,0,0,0|1,0,0]=3 759 B21R0.36952 CCCCCCCCCCCCC(C)N[C@@H](C)C(=O)SCC AIFCHEM-5752878997 [0,2,0,0,0,0|1,1,0]=4 760 B21R0.36952 CCCCCCCCCCCCC(C)N[C@H](C)C(=O)OCC AIFCHEM-6134587109 [0,2,0,0,0,0|1,0,0]=3 761 B21R0.36952 CCCCCCCCCCCCN(C)CC(C)C(=O)OCC AIFCHEM-5975997670 [0,2,0,0,0,0|1,0,0]=3 762 B19R1.970 CCCCCCCCCCCCN1CCNC(=O)C1 AIFCHEM-5713966643 [1,0,0,1,0,0|2,0,0]=4 763 B19R1.970 CCCCCCCCCCCCN1CCOC(=O)C1 AIFCHEM-5849799632 [1,0,0,1,0,0|1,0,0]=3 764 B19R1.970 CCCCCCCCCCCNC1CCNC(=O)C1 AIFCHEM-5997435077 [1,0,0,1,0,0|2,0,0]=4 765 B19R1.1111 CCOC(=O)CCCCCNCCN1CCCCC1 AIFCHEM-94531649512 [1,0,0,1,0,0|2,0,0]=4 766 B19R1.4458 CCOC(=O)CCCCCCNCCN1CCCC1 AIFCHEM-5746097758 [1,0,0,1,0,0|2,0,0]=4 767 B19R1.4458 CCOC(=O)CCCCCNCCCN1CCCC1 AIFCHEM-5922481442 [1,0,0,1,0,0|2,0,0]=4 768 B19R1.4458 CCOC(=O)CCCCCNCCOC1CCCC1 AIFCHEM-5914334960 [1,0,0,1,0,0|2,0,0]=4 769 B19R1.4458 CCOC(=O)CCCCNCCCCN1CCCC1 AIFCHEM-6161827450 [1,0,0,1,0,0|2,0,0]=4 770 B19R1.4483 CCOC(=O)CCCCCCNC1CCCC1CC AIFCHEM-5726010951 [1,0,0,1,0,0|1,0,0]=3 771 B19R1.15256 CCOC(=O)C1CCCCC1NCCCCCCO AIFCHEM-6499697962 [1,0,0,1,0,0|2,0,0]=4 772 B19R1.15475 CCCCCCCCCNCC1CC1C(=O)OCC AIFCHEM-6163805288 [1,0,0,1,0,0|1,0,0]=3 773 B19R1.15475 CCOC(=O)C1CC1CNCCCCCCCCO AIFCHEM-6436031055 [1,0,0,1,0,0|2,0,0]=4 774 B19R1.28389 CCOC(=O)CC1CCCC1NCCCCCCO AIFCHEM-6499818367 [1,0,0,1,0,0|2,0,0]=4 775 B19R1.29407 CCOCCNC1CCCCCCC1C(=O)OCC AIFCHEM-94548606193 [1,0,0,1,0,0|2,0,0]=4 776 B19R1.32272 CCOC(=O)CCCCCCN1CCCCC1CO AIFCHEM-6395141329 [1,0,0,1,0,0|2,0,0]=4 777 B19R1.32272 CCOC(=O)CCCCCCN1CCCC[C@@H]1CO AIFCHEM-6412762379 [1,0,0,1,0,0|2,0,0]=4 778 B19R1.32272 CCOC(=O)CCCCCCN1CCCC[C@H]1CO AIFCHEM-94551686127 [1,0,0,1,0,0|2,0,0]=4 779 B19R1.32272 CCOC(=O)CCCCCCN1CCOCC1CC AIFCHEM-5682019383 [1,0,0,1,0,0|2,0,0]=4 780 B19R1.32272 CCOC(=O)CCCCCCN1CCOC[C@@H]1CC AIFCHEM-94531751468 [1,0,0,1,0,0|2,0,0]=4 781 B19R1.32272 CCOC(=O)CCCCCCN1CCOC[C@H]1CC AIFCHEM-5981480317 [1,0,0,1,0,0|2,0,0]=4 782 B19R1.38228 CCOC(=O)CNC1CCCCCCCCCCC1 AIFCHEM-5655379868 [1,0,0,1,0,0|1,0,0]=3 783 B19R1.39196 CCOC(=O)CCCCCCNC1CCCCC1C AIFCHEM-5695240292 [1,0,0,1,0,0|1,0,0]=3 784 B19R1.39196 CCOC(=O)CCCCCCN[C@@H]1CCCC[C@@H]1C AIFCHEM-94605785017 [1,0,0,1,0,0|1,0,0]=3 785 B19R1.39196 CCOC(=O)CCCCCCN[C@@H]1CCCC[C@H]1C AIFCHEM-5699510198 [1,0,0,1,0,0|1,0,0]=3 786 B19R1.39196 CCOC(=O)CCCCCCN[C@H]1CCCC[C@H]1C AIFCHEM-5790948418 [1,0,0,1,0,0|1,0,0]=3 787 B19R1.46518 CCCCCCCCCCCCNC1CCOC1=O AIFCHEM-5898923833 [1,0,0,1,0,0|1,0,0]=3 788 B19R1.46518 CCCCCCCCCCCCNC1CCSC1=O AIFCHEM-6278588586 [1,0,0,1,0,0|1,1,0]=4 789 B19R1.46518 CCCCCCCCCCCCN[C@@H]1CCNC1=O AIFCHEM-94577676779 [1,0,0,1,0,0|2,0,0]=4 790 B19R1.46518 CCCCCCCCCCCCN[C@@H]1CCOC1=O AIFCHEM-94543696346 [1,0,0,1,0,0|1,0,0]=3 791 B19R1.46518 CCCCCCCCCCCCN[C@@H]1CCSC1=O AIFCHEM-6273967310 [1,0,0,1,0,0|1,1,0]=4 792 B19R1.46518 CCCCCCCCCCCCN[C@H]1CCNC1=O AIFCHEM-5963718979 [1,0,0,1,0,0|2,0,0]=4 793 B19R1.46518 CCCCCCCCCCCCN[C@H]1CCOC1=O AIFCHEM-94552936203 [1,0,0,1,0,0|1,0,0]=3 794 B19R1.47229 CCCCCCCCCN1CCC[C@H]1C(=O)NCC AIFCHEM-5799044807 [1,0,0,1,0,0|2,0,0]=4 795 B19R1.47229 CCCCCCCCN[C@H]1CCC[C@H]1C(=O)OCC AIFCHEM-94565256796 [1,0,0,1,0,0|1,0,0]=3 796 B19R1.48119 CCOCCCNC1CCCCC1CC(=O)OCC AIFCHEM-6286295025 [1,0,0,1,0,0|2,0,0]=4 797 B19R1.57632 CCOC(=O)CCCCCNC1CCCCCCC1 AIFCHEM-5787077887 [1,0,0,1,0,0|1,0,0]=3 798 B19R1.142161 CCCCCCCCCCCCCNC(=O)C1CC1 AIFCHEM-94552338973 [1,0,0,1,0,0|2,0,0]=4 799 B19R1.7 CCCCCCCCCCCNC1CCC(=O)NC1 AIFCHEM-5997598045 [1,0,0,1,0,0|2,0,0]=4 800 B19R1.7 CCCCCCCCCCCN[C@H]1CCC(=O)NC1 AIFCHEM-94579119769 [1,0,0,1,0,0|2,0,0]=4 801 B19R1.274 CCCCCCCCCCCCNC1CNC(=O)C1 AIFCHEM-5600293985 [1,0,0,1,0,0|2,0,0]=4 802 B19R1.274 CCCCCCCCCCCCN[C@@H]1COC(=O)C1 AIFCHEM-6115520201 [1,0,0,1,0,0|1,0,0]=3 803 B19R1.274 CCCCCCCCCCCCN[C@H]1CNC(=O)C1 AIFCHEM-6110066098 [1,0,0,1,0,0|2,0,0]=4 804 B19R1.274 CCCCCCCCCCCCN[C@H]1COC(=O)C1 AIFCHEM-5599347522 [1,0,0,1,0,0|1,0,0]=3 805 B19R1.274 CCCCCCCCCCCNCC1CCC(=O)N1 AIFCHEM-5621145657 [1,0,0,1,0,0|2,0,0]=4 806 B19R1.274 CCCCCCCCCCCNCC1CNC(=O)C1 AIFCHEM-6186198063 [1,0,0,1,0,0|2,0,0]=4 807 B19R1.274 CCCCCCCCCCCNC[C@@H]1CCC(=O)N1 AIFCHEM-94588860007 [1,0,0,1,0,0|2,0,0]=4 808 B19R1.274 CCCCCCCCCCCNC[C@H]1CCC(=O)N1 AIFCHEM-94529707966 [1,0,0,1,0,0|2,0,0]=4 809 B19R1.884 COC(=O)CCCCCCCNCC1CCSCC1 AIFCHEM-5804620188 [1,0,0,1,0,0|2,0,0]=4 810 B19R1.884 COC(=O)CCCCCCNCCC1CCCCC1 AIFCHEM-5848814094 [1,0,0,1,0,0|1,0,0]=3 811 B19R1.884 COC(=O)CCCCCNCCCN1CCCCC1 AIFCHEM-5834315714 [1,0,0,1,0,0|2,0,0]=4 812 B19R1.8020 CCC1CCCC1NCCCCCCCC(=O)OC AIFCHEM-5865345595 [1,0,0,1,0,0|1,0,0]=3 813 B19R1.10442 COC(=O)CCCCCN1CCCCC1CCCO AIFCHEM-94570544870 [1,0,0,1,0,0|2,0,0]=4 814 B19R1.15479 CCCCCCCCCCCN1CCC1C(=O)OC AIFCHEM-5993776671 [1,0,0,1,0,0|1,0,0]=3 815 B19R1.27378 CCCCCCCCCCCCCCCN1CCC1 AIFCHEM-94604921539 [1,0,0,1,0,0|2,0,0]=4 816 B19R1.43653 COC(=O)CCCCCCCCCCNCC1CC1 AIFCHEM-5914562124 [1,0,0,1,0,0|1,0,0]=3 817 B19R1.45481 COC(=O)CCCCCCCCCCNC1CCC1 AIFCHEM-94576052147 [1,0,0,1,0,0|1,0,0]=3 818 B19R1.45481 COC(=O)CCCCCCCCCCNC1COC1 AIFCHEM-5914828626 [1,0,0,1,0,0|2,0,0]=4 819 B19R1.45481 COC(=O)CCCCCCCCCCNC1CSC1 AIFCHEM-5961867710 [1,0,0,1,0,0|2,0,0]=4 820 B19R1.45481 COC(=O)CCCCCCCCCNCC1CCC1 AIFCHEM-6012099968 [1,0,0,1,0,0|1,0,0]=3 821 B19R1.62988 COC(=O)CCCCCCCCCNC1CCCC1 AIFCHEM-94541521581 [1,0,0,1,0,0|1,0,0]=3 822 B19R1.62988 COC(=O)CCCCCCCCCNC1CCOC1 AIFCHEM-6012207246 [1,0,0,1,0,0|2,0,0]=4 823 B19R1.62988 COC(=O)CCCCCCCCCNC1CCSC1 AIFCHEM-6074632363 [1,0,0,1,0,0|2,0,0]=4 824 B19R1.275 CCCCCCCCCCCCNC1CCOCC1 AIFCHEM-94536252120 [1,0,0,1,0,0|1,0,1]=4 825 B19R1.275 CCCCCCCCCCCNCC1CCOCC1 AIFCHEM-94579834756 [1,0,0,1,0,0|1,0,1]=4 826 B19R1.275 CCCCCCCCCCNCCC1CCOCC1 AIFCHEM-5604006523 [1,0,0,1,0,0|1,0,1]=4 827 B19R1.41317 CCCNC1CCCCCCCCCCCCCC1 AIFCHEM-5815054617 [1,0,0,1,0,0|2,0,0]=4 828 B19R1.46520 CCCCCCCCCCCCCCCNC1CC1 AIFCHEM-94573315307 [1,0,0,1,0,0|2,0,0]=4 829 B19R1.53655 CCCCCCCCCNC1CCCCC1OCC AIFCHEM-94531896570 [1,0,0,1,0,0|1,0,1]=4 830 B19R1.289469 CCCCCCCCCCCCN1CCCOCC1 AIFCHEM-5790037988 [1,0,0,1,0,0|1,0,1]=4 831 B21R1.2931 CCCCCCCCCCCCCCN1CCNC(=O)C1 AIFCHEM-5681980613 [0,1,0,1,0,0|1,0,0]=3 832 B21R1.2931 CCCCCCCCCCCCCCN1CCOC(=O)C1 AIFCHEM-5821112998 [0,1,0,1,0,0|0,0,0]=2 833 B21R1.2931 CCCCCCCCCCCCCCN1CCOC(C1)C AIFCHEM-5764557382 [0,1,0,1,0,0|1,0,1]=4 834 B21R1.2931 CCCCCCCCCCCCCCN1CCOC(C1)O AIFCHEM-6482388261 [0,1,0,1,0,0|0,0,2]=4 835 B21R1.2931 CCCCCCCCCCCCCCN1CCO[C@@H](C1)C AIFCHEM-94583860527 [0,1,0,1,0,0|1,0,1]=4 836 B21R1.2931 CCCCCCCCCCCCCCN1CCO[C@H](C1)C AIFCHEM-5672346438 [0,1,0,1,0,0|1,0,1]=4 837 B21R1.2931 CCCCCCCCCCCCCNC1CCNC(=O)C1 AIFCHEM-94552333527 [0,1,0,1,0,0|1,0,0]=3 838 B21R1.2931 CCCCCCCCCCCCCNC1CCOC(C1)C AIFCHEM-94552329965 [0,1,0,1,0,0|1,0,1]=4 839 B21R1.2931 O=C1CC(CCN1)NCCCCCCCCCCCCO AIFCHEM-6449959396 [0,1,0,1,0,0|2,0,0]=4 840 B21R1.3793 CCCCCCCCCCCCCCNCC1OCCO1 AIFCHEM-5671262685 [0,1,0,1,0,0|0,0,2]=4 841 B21R1.3793 CCCCCCCCCCCCCCNC[C@@H]1CCCO1 AIFCHEM-5720667567 [0,1,0,1,0,0|1,0,1]=4 842 B21R1.3793 CCCCCCCCCCCCCCNC[C@H]1CCCO1 AIFCHEM-5648700800 [0,1,0,1,0,0|1,0,1]=4 843 B21R1.17776 CCCCCCCCCCCCCCNC1CCNC1=O AIFCHEM-5749507095 [0,1,0,1,0,0|1,0,0]=3 844 B21R1.17776 CCCCCCCCCCCCCCNC1CCSC1=O AIFCHEM-6241328750 [0,1,0,1,0,0|0,1,0]=3 845 B21R1.17776 CCCCCCCCCCCCCCNC1CONC1=O AIFCHEM-5753047878 [0,1,0,1,0,0|2,0,0]=4 846 B21R1.17776 CCCCCCCCCCCCCCN[C@@H]1CCNC1=O AIFCHEM-94577677201 [0,1,0,1,0,0|1,0,0]=3 847 B21R1.17776 CCCCCCCCCCCCCCN[C@@H]1CCOC1=O AIFCHEM-5687571464 [0,1,0,1,0,0|0,0,0]=2 848 B21R1.17776 CCCCCCCCCCCCCCN[C@@H]1CCSC1=O AIFCHEM-6273825243 [0,1,0,1,0,0|0,1,0]=3 849 B21R1.17776 CCCCCCCCCCCCCCN[C@@H]1CONC1=O AIFCHEM-5648800750 [0,1,0,1,0,0|2,0,0]=4 850 B21R1.17776 CCCCCCCCCCCCCCN[C@H]1CCNC1=O AIFCHEM-5955525859 [0,1,0,1,0,0|1,0,0]=3 851 B21R1.17776 CCCCCCCCCCCCCCN[C@H]1CCOC1=O AIFCHEM-6159493132 [0,1,0,1,0,0|0,0,0]=2 852 B21R1.17776 CCCCCCCCCCCCCCN[C@H]1CONC1=O AIFCHEM-5617711526 [0,1,0,1,0,0|2,0,0]=4 853 B21R1.17776 CCCCCCCCCCCCNCCN1CCNC1=O AIFCHEM-6252690641 [0,1,0,1,0,0|2,0,0]=4 854 B21R1.17776 CCCCCCCCCCCNCCCN1CCCC1=O AIFCHEM-5895128979 [0,1,0,1,0,0|2,0,0]=4 855 B21R1.18597 CCCCCCCCCCCN1CCC[C@H]1C(=O)NCC AIFCHEM-5798667648 [0,1,0,1,0,0|1,0,0]=3 856 B21R1.18597 CCCCCCCCCCCN1CCC[C@H]1C(=O)OCC AIFCHEM-94605135469 [0,1,0,1,0,0|0,0,0]=2 857 B21R1.18597 CCCCCCCCCCCN1CSC[C@H]1C(=O)OCC AIFCHEM-6091477079 [0,1,0,1,0,0|1,0,0]=3 858 B21R1.18597 CCCCCCCCCCNC1CCCC1C(=O)OCC AIFCHEM-5603303859 [0,1,0,1,0,0|0,0,0]=2 859 B21R1.18597 CCCCCCCCCCNC1COCC1C(=O)OCC AIFCHEM-5626797045 [0,1,0,1,0,0|1,0,0]=3 860 B21R1.18597 CCCCCCCCCCN[C@H]1CCC[C@H]1C(=O)OCC AIFCHEM-94565256374 [0,1,0,1,0,0|0,0,0]=2 861 B21R1.18597 CCOC(=O)C1CCCC1NCCCCCCCCCO AIFCHEM-6501283899 [0,1,0,1,0,0|1,0,0]=3 862 B21R1.18597 CCOC(=O)C1COCC1NCCCCCCCCCO AIFCHEM-6500129694 [0,1,0,1,0,0|2,0,0]=4 863 B21R1.19549 CCCCCCCCCN1CCCCC1CC(=O)OCC AIFCHEM-6183224452 [0,1,0,1,0,0|0,0,0]=2 864 B21R1.19549 CCCCCCCCNC1CCCCC1CC(=O)OCC AIFCHEM-5823101976 [0,1,0,1,0,0|0,0,0]=2 865 B21R1.19549 CCOC(=O)CC1CCCCC1NCCCCCCCO AIFCHEM-6482193663 [0,1,0,1,0,0|1,0,0]=3 866 B21R1.19549 CCOC(=O)CC1CCCCC1NCCCOCCCO AIFCHEM-6502494758 [0,1,0,1,0,0|2,0,0]=4 867 B21R1.39983 CCOC(=O)CCCCCCNC1CCCCC1OCC AIFCHEM-94531904214 [0,1,0,1,0,0|1,0,0]=3 868 B21R1.43308 CCOC(=O)CCCCCCNCCCC1CCCCC1 AIFCHEM-5937103212 [0,1,0,1,0,0|0,0,0]=2 869 B21R1.43308 CCOC(=O)CCCCCCNCCCN1CCCCC1 AIFCHEM-5848899117 [0,1,0,1,0,0|1,0,0]=3 870 B21R1.43308 CCOC(=O)CCCCCCNCCCN1CCOCC1 AIFCHEM-5692510977 [0,1,0,1,0,0|2,0,0]=4 871 B21R1.43308 CCOC(=O)CCCCCNCCCCN1CCOCC1 AIFCHEM-6091842936 [0,1,0,1,0,0|2,0,0]=4 872 B21R1.43308 CCOC(=O)CCCCNCCOCCN1CCCCC1 AIFCHEM-5590406571 [0,1,0,1,0,0|2,0,0]=4 873 B21R1.53399 CCOC(=O)CCCCCCNCCN1CCCCC1C AIFCHEM-5977927379 [0,1,0,1,0,0|1,0,0]=3 874 B21R1.53399 CCOC(=O)CCCCCNCCCN1CCCCC1C AIFCHEM-6223155382 [0,1,0,1,0,0|1,0,0]=3 875 B21R1.53407 CCOC(=O)CCCCCCCCCCCNC1CCC1 AIFCHEM-94576054739 [0,1,0,1,0,0|0,0,0]=2 876 B21R1.53407 CCOC(=O)CCCCCCCCCCCNC1COC1 AIFCHEM-94599494516 [0,1,0,1,0,0|1,0,0]=3 877 B21R1.54526 CCOC(=O)CCCCCCNCCCCN1CCCC1 AIFCHEM-6152104486 [0,1,0,1,0,0|1,0,0]=3 878 B21R1.68069 CCCCCCCCNC1CCCCCC1C(=O)OCC AIFCHEM-5857931639 [0,1,0,1,0,0|0,0,0]=2 879 B21R1.69594 CCOC(=O)CCCCCCN1CCCCC1CCCO AIFCHEM-6471891565 [0,1,0,1,0,0|1,0,0]=3 880 B21R1.69594 CCOC(=O)CCCCCCN1CCCCC1CCOC AIFCHEM-6029184496 [0,1,0,1,0,0|1,0,0]=3 881 B21R1.75646 CCCCCCCCCCCCN1CCCC(C1)OCC AIFCHEM-5613006553 [0,1,0,1,0,0|1,0,1]=4 882 B21R1.76792 CCCCCCCCCCN1CCCCC1C(=O)OCC AIFCHEM-5989591389 [0,1,0,1,0,0|0,0,0]=2 883 B21R1.76792 CCCCCCCCCCN1CCCC[C@@H]1C(=O)OCC AIFCHEM-94532064445 [0,1,0,1,0,0|0,0,0]=2 884 B21R1.76792 CCCCCCCCCCN1CCCC[C@H]1C(=O)OCC AIFCHEM-94585499244 [0,1,0,1,0,0|0,0,0]=2 885 B21R1.76792 CCCCCCCCCCN1CCOCC1C(=O)OCC AIFCHEM-5701309298 [0,1,0,1,0,0|1,0,0]=3 886 B21R1.76792 CCCCCCCCCCN1CCOC[C@H]1C(=O)OCC AIFCHEM-5812292699 [0,1,0,1,0,0|1,0,0]=3 887 B21R1.76792 CCCCCCCCCCN1CCSCC1C(=O)OCC AIFCHEM-5747175706 [0,1,0,1,0,0|1,0,0]=3 888 B21R1.76792 CCCCCCCCCNC1CCCCC1C(=O)OCC AIFCHEM-6142994779 [0,1,0,1,0,0|0,0,0]=2 889 B21R1.76792 CCCCCCCCCNC1COCCC1C(=O)OCC AIFCHEM-6178112499 [0,1,0,1,0,0|1,0,0]=3 890 B21R1.76792 CCOC(=O)C1CCCCC1NCCCCCCCCO AIFCHEM-6436133979 [0,1,0,1,0,0|1,0,0]=3 891 B21R1.76792 CCOC(=O)C1CCOCC1NCCCCCCCCO AIFCHEM-6483441544 [0,1,0,1,0,0|2,0,0]=4 892 B21R1.76792 CCOC(=O)C1COCCC1NCCCCCCCCO AIFCHEM-6395238005 [0,1,0,1,0,0|2,0,0]=4 893 B21R1.76803 CCCCCCCCCNC1CCCC1CC(=O)OCC AIFCHEM-6154686451 [0,1,0,1,0,0|0,0,0]=2 894 B21R1.76803 CCOC(=O)CC1CCCC1NCCCCCCCCO AIFCHEM-6472518408 [0,1,0,1,0,0|1,0,0]=3 895 B21R1.77905 CCOC(=O)C1CCCCCCC1NCCCOCCO AIFCHEM-6409275461 [0,1,0,1,0,0|2,0,0]=4 896 B21R1.78895 CCCCCC1CCCC1NCCCCCC(=O)OCC AIFCHEM-94555813265 [0,1,0,1,0,0|0,0,0]=2 897 B21R1.83689 CCOC(=O)CCCCCCCCCCCNCC1CC1 AIFCHEM-94599490860 [0,1,0,1,0,0|0,0,0]=2 898 B21R1.267776 CCCCCCCCCCCNCC1CC1C(=O)OCC AIFCHEM-6043428625 [0,1,0,1,0,0|0,0,0]=2 899 B21R1.267776 CCOC(=O)C1CC1CNCCCCCCCCCCO AIFCHEM-6507127836 [0,1,0,1,0,0|1,0,0]=3 900 B21R1.633116 CCCCCCCCCCCCCCCNC(=O)C1CC1 AIFCHEM-5978866833 [0,1,0,1,0,0|1,0,0]=3 901 B21R1.819850 CCOC(=O)CCCCCCNCCN1CCCCCC1 AIFCHEM-6032058576 [0,1,0,1,0,0|1,0,0]=3 902 B21R1.819850 CCOC(=O)CCCCCNCCCN1CCCCCC1 AIFCHEM-5912462600 [0,1,0,1,0,0|1,0,0]=3 903 B21R1.43358 CCOC(=O)CCCCCCCC(=O)NC1CCCCC1 AIFCHEM-5906229425 [0,1,0,1,0,0|1,0,1]=4 904 B21R1.43358 CCOC(=O)CCCCCCNC(C)CC1CCCCC1 AIFCHEM-94565007269 [0,1,0,1,0,0|1,0,0]=3 905 B21R1.54575 CCOC(=O)CCCCCCCC(=O)NCC1CCCC1 AIFCHEM-94573922268 [0,1,0,1,0,0|1,0,1]=4 906 B21R1.54575 CCOC(=O)CCCCCCNC(=O)CCC1CCCC1 AIFCHEM-5736952220 [0,1,0,1,0,0|1,0,1]=4 907 B21R1.58175 CCOC(=O)CCCCCCC(=O)N1CCCCC1CC AIFCHEM-5788865857 [0,1,0,1,0,0|1,0,1]=4 908 B21R1.220325 CCCCCCCCC(=O)N1CCCCC1C(=O)OCC AIFCHEM-5990336579 [0,1,0,1,0,0|1,0,1]=4 909 B21R1.220325 CCCCCCCCC(=O)N1CCCC[C@@H]1C(=O)OCC AIFCHEM-94532071238 [0,1,0,1,0,0|1,0,1]=4 910 B21R1.220325 CCCCCCCCC(=O)N1CCCC[C@H]1C(=O)OCC AIFCHEM-94585506037 [0,1,0,1,0,0|1,0,1]=4 911 B21R1.220980 CCCCCCCCC(=O)N[C@H]1CCC[C@H]1C(=O)OCC AIFCHEM-6127557955 [0,1,0,1,0,0|1,0,1]=4 912 B21R1.220980 CCCCCCCCC(C)CN1CCC[C@@H]1C(=O)OCC AIFCHEM-5806911042 [0,1,0,1,0,0|1,0,0]=3 913 B21R1.220980 CCCCCCCCC(C)CN1CCC[C@H]1C(=O)NCC AIFCHEM-5822585569 [0,1,0,1,0,0|2,0,0]=4 914 B21R1.220980 CCCCCCCCC(C)CN1CCC[C@H]1C(=O)OCC AIFCHEM-5647945930 [0,1,0,1,0,0|1,0,0]=3 915 B21R1.220980 CCCCCCCCC(C)CN1CSC[C@H]1C(=O)OCC AIFCHEM-6091136585 [0,1,0,1,0,0|2,0,0]=4 916 B21R1.220980 CCCCCCCCC(C)N[C@H]1CCC[C@H]1C(=O)OCC AIFCHEM-94565261255 [0,1,0,1,0,0|1,0,0]=3 917 B21R1.53334 CCOC(=O)CCCCNC(=O)CCCC1CCCCC1 AIFCHEM-6175534311 [0,1,0,1,0,0|1,0,1]=4 918 B21R1.403541 CCCCCCCCCN1CCCC(C1)CC(=O)OCC AIFCHEM-5671874840 [0,1,0,1,0,0|1,0,0]=3 919 B21R1.403541 CCCCCCCCCN1CCOC(C1)CC(=O)OCC AIFCHEM-94559196997 [0,1,0,1,0,0|2,0,0]=4 920 B21R1.695370 CCCCCCCCCC(C)N1CCC[C@H]1C(=O)NCC AIFCHEM-5805639465 [0,1,0,1,0,0|2,0,0]=4 921 B21R1.695370 CCCCCCCCCC(C)N1CCC[C@H]1C(=O)OCC AIFCHEM-5631466265 [0,1,0,1,0,0|1,0,0]=3 922 B21R1.854058 CCOC(=O)CCCCCC(=O)NCC1CCCCCC1 AIFCHEM-5705200543 [0,1,0,1,0,0|1,0,1]=4 923 B21R1.830452 CCOC(=O)CCCCCCCCCCC(=O)N1CCC1 AIFCHEM-94563084360 [0,1,0,1,0,0|1,0,1]=4 924 B21R1.830454 CCOC(=O)CCCCCCCCCCC(=O)NC1CC1 AIFCHEM-94563080502 [0,1,0,1,0,0|1,0,1]=4 925 B21R1.17792 CCCCCCCCCCCCNC1CCN(C(=O)C1)C AIFCHEM-94542358695 [0,1,0,1,0,0|2,0,0]=4 926 B21R1.92295 CCN(C)C(=O)CCCCCCCCN1CCCC[C@@H]1C AIFCHEM-97037520616 [0,1,0,1,0,0|2,0,0]=4 927 B21R1.156304 CCCCCCCCCCCCCCCC(=O)N1CCC1 AIFCHEM-94604929813 [0,1,0,1,0,0|1,0,0]=3 928 B21R1.156304 CCCCCCCCCCCCCCNC(=O)C1CCC1 AIFCHEM-94572518282 [0,1,0,1,0,0|2,0,0]=4 929 B21R1.156304 CCCCCCCCCCCCCCNC(=O)C1CCO1 AIFCHEM-6120733456 [0,1,0,1,0,0|1,0,0]=3 930 B21R1.156304 CCCCCCCCCCCCCCNC(=O)C1COC1 AIFCHEM-94536803301 [0,1,0,1,0,0|2,0,0]=4 931 B21R1.156304 CCCCCCCCCCCCCCNC(=O)[C@@H]1CCO1 AIFCHEM-6161450572 [0,1,0,1,0,0|1,0,0]=3 932 B21R1.156304 CCCCCCCCCCCCSCCC(=O)N1CCC1 AIFCHEM-94539300853 [0,1,0,1,0,0|2,0,0]=4 933 B21R1.156304 O=C(CCCCCCCCCCCCCCO)N1CCC1 AIFCHEM-94604931314 [0,1,0,1,0,0|2,0,0]=4 934 B21R1.156305 CCCCCCCCCCCCCCNC(=O)C1(CC1)C AIFCHEM-6143805731 [0,1,0,1,0,0|2,0,0]=4 935 B21R1.156305 CCCCCCCCCCCCCCNC(=O)C1(CC1)O AIFCHEM-6120802613 [0,1,0,1,0,0|2,0,0]=4 936 B21R1.2109046 CCCCCCCCCCCCN1CCC(=O)N(CC1)C AIFCHEM-5962181418 [0,1,0,1,0,0|2,0,0]=4 937 B21R1.6248082 CCCCCCCCCCCCCCNC(=O)C1CC1C AIFCHEM-6160284316 [0,1,0,1,0,0|2,0,0]=4 938 B21R1.6248082 CCCCCCCCCCCCCCNC(=O)C1CC1F AIFCHEM-6161421916 [0,1,0,1,0,0|2,0,0]=4 939 B21R1.6248082 CCCCCCCCCCCCCCNC(=O)[C@@H]1C[C@@H]1F AIFCHEM-6143647703 [0,1,0,1,0,0|2,0,0]=4 940 B21R1.6248082 CCCCCCCCCCCCCCNC(=O)[C@@H]1C[C@H]1C AIFCHEM-6142606882 [0,1,0,1,0,0|2,0,0]=4 941 B21R1.6248082 CCCCCCCCCCCCCCNC(=O)[C@@H]1C[C@H]1F AIFCHEM-94593656578 [0,1,0,1,0,0|2,0,0]=4 942 B21R1.6248082 CCCCCCCCCCCCCCNC(=O)[C@H]1C[C@@H]1C AIFCHEM-6161285170 [0,1,0,1,0,0|2,0,0]=4 943 B21R1.6248082 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AIFCHEM-6228425339 [0,0,0,2,0,0|2,0,0]=4 1011 B21R2.2105373 CCOC(=O)CCCCCNC1C2CCCC1CCC2 AIFCHEM-5866659076 [0,0,0,2,0,0|1,0,0]=3 1012 B21R2.5332112 CCOC(=O)CCCCCCN1CCCCC12CCC2 AIFCHEM-5970697640 [0,0,0,2,0,0|1,0,0]=3 1013 B21R2.282217 CCOC(=O)CC1CCCCC1N2CCC[C@@H]2COC AIFCHEM-94590573578 [0,0,0,2,0,0|2,0,0]=4 1014 B21R2.282217 CCOC(=O)CC1CCCCC1N2CCC[C@H]2COC AIFCHEM-6119620151 [0,0,0,2,0,0|2,0,0]=4 1015 B21R2.5312039 CCOC(=O)CCCCCCNC1CCN2C1CCC2 AIFCHEM-5745333145 [0,0,0,2,0,0|2,0,0]=4 1016 B21R2.22729178 CCOC(=O)CCCCNCCC12CCCN1CCC2 AIFCHEM-5964725692 [0,0,0,2,0,0|2,0,0]=4 1017 B21R2.17819 CCOC(=O)C1CCCC1NCCCCN2CCCC2 AIFCHEM-6181179491 [0,0,0,2,0,0|2,0,0]=4 1018 B21R2.316783 CCOC(=O)CCCCCCN1CCN2CCCC2C1 AIFCHEM-6057609007 [0,0,0,2,0,0|2,0,0]=4 1019 B21R2.316783 CCOC(=O)CCCCCCN1CCN2CCC[C@@H]2C1 AIFCHEM-5904454186 [0,0,0,2,0,0|2,0,0]=4 1020 B21R2.316783 CCOC(=O)CCCCCCN1CCN2CCC[C@H]2C1 AIFCHEM-5862614413 [0,0,0,2,0,0|2,0,0]=4 1021 B21R2.318224 CCOC(=O)C1CCCCCCC1NC2CCCC2O AIFCHEM-6473428270 [0,0,0,2,0,0|2,0,0]=4 1022 B21R2.318224 CCOC(=O)C1CCCCCCC1N[C@@H]2CCC[C@@H]2O AIFCHEM-94584446737 [0,0,0,2,0,0|2,0,0]=4 1023 B21R2.318224 CCOC(=O)C1CCCCCCC1N[C@@H]2CCC[C@H]2O AIFCHEM-94569970184 [0,0,0,2,0,0|2,0,0]=4 1024 B21R2.318224 CCOC(=O)C1CCCCCCC1N[C@H]2CCC[C@@H]2O AIFCHEM-6507697063 [0,0,0,2,0,0|2,0,0]=4 1025 B21R2.318224 CCOC(=O)C1CCCCCCC1N[C@H]2CCC[C@H]2O AIFCHEM-94557836064 [0,0,0,2,0,0|2,0,0]=4 1026 B21R2.319450 CCOC(=O)[C@@H]1CCCC[C@@H]1NC2CCCCCCC2 AIFCHEM-5814140809 [0,0,0,2,0,0|1,0,0]=3 1027 B21R2.319757 CCOC(=O)C1COCCC1NCC2CCCCCC2 AIFCHEM-94532081673 [0,0,0,2,0,0|2,0,0]=4 1028 B21R2.393048 CCCCCCCN1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OCC AIFCHEM-94589449906 [0,0,0,2,0,0|1,0,0]=3 1029 B21R2.1000856 CCCCCCCCNC1CC[C@@H]2[C@H]1[C@H]2C(=O)OCC AIFCHEM-5858010110 [0,0,0,2,0,0|1,0,0]=3