0 B8R0.7 CC(=O)NCCCCN M20805 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.7 CCCCCCC(=O)O M19552 [0,0,0,0,0,0|1,0,0]=1 2 B8R0.7 CS(=O)CCCN=C=S M14724 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.7 N=C(N)NCCCCN M19581 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.7 NCCCCCC(=O)O M15254 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.1 CCCCCON=O M19466 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.1 CCCSSCCC M24629 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.1 COCCOCCBr M26972 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.4 CCCCCC(=O)O M19562 [1,0,0,0,0,0|1,0,0]=2 9 B7R0.4 CCCCCC(C)N M10956 [1,0,0,0,0,0|1,0,1]=3 10 B7R0.4 CCCCCC(C)O M28052 [1,0,0,0,0,0|0,0,2]=3 11 B7R0.4 NCCCCC(=O)O M19658 [1,0,0,0,0,0|2,0,0]=3 12 B9R0.1 COC(=O)CCCC(=O)O M19568 [0,1,0,0,0,0|2,0,1]=4 13 B9R0.2 CC(=O)NCCCCCN M19992 [0,1,0,0,0,0|1,0,0]=2 14 B9R0.2 CCCCCCCC(=O)O M19558 [0,1,0,0,0,0|1,0,0]=2 15 B9R0.2 CCCCCNCC(N)=O M28420 [0,1,0,0,0,0|1,0,0]=2 16 B9R0.2 CCCCC\C=C\C(=O)O M20010 [0,1,0,0,0,0|1,0,1]=3 17 B9R0.2 CS(=O)CCCCN=C=S M14533 [0,1,0,0,0,0|2,0,1]=4 18 B9R0.2 C[S@@](=O)CCCCN=C=S M21483 [0,1,0,0,0,0|2,0,1]=4 19 B9R0.47 CCCCCC(C)C(=O)O M21372 [0,1,0,0,0,0|1,0,0]=2 20 B9R0.47 CCSCC[C@H](N)C(=O)O M23462 [0,1,0,0,0,0|2,0,0]=3 21 B9R0.47 NCCCCC(N)C(=O)O M18826 [0,1,0,0,0,0|2,0,0]=3 22 B9R0.47 NCCCC[C@H](N)C(=O)O M21400 [0,1,0,0,0,0|2,0,0]=3 23 B9R0.55 CC(=O)NCCCC(=O)O M19755 [0,1,0,0,0,0|2,0,1]=4 24 B9R0.55 O=C(O)CCCCC(=O)O M10971 [0,1,0,0,0,0|2,0,1]=4 25 B9R0.55 O=C(O)CCCCC(=O)O M20645 [0,1,0,0,0,0|2,0,1]=4 26 B9R1.6 O=C(O)C1CCCCC1 M20308 [0,0,0,1,0,0|1,0,0]=2 27 B9R1.6 O=C(O)C1CCCCN1 M19618 [0,0,0,1,0,0|2,0,0]=3 28 B9R1.6 O=C(O)C1CCNCC1 M27557 [0,0,0,1,0,0|2,0,0]=3 29 B9R1.6 O=C(O)[C@@H]1CCCCN1 M19590 [0,0,0,1,0,0|2,0,0]=3 30 B9R1.41 CN1CCC[C@H]1C(=O)O M28313 [0,0,0,1,0,0|2,0,0]=3 31 B6R0.6 CCCCCCO M29392 [2,0,0,0,0,0|0,0,1]=3 32 B6R0.6 CCC\C=C\C=O M21392 [2,0,0,0,0,0|0,0,2]=4 33 B6R0.6 COCCCCO M22101 [2,0,0,0,0,0|1,0,1]=4 34 B6R0.6 NCCCCCN M19735 [2,0,0,0,0,0|2,0,0]=4 35 B6R0.4 CCCCC(=O)O M19748 [2,0,0,0,0,0|1,0,0]=3 36 B6R0.4 CCCCC(C)=O M20883 [2,0,0,0,0,0|0,0,0]=2 37 B6R0.4 CCOCC(=O)O M28131 [2,0,0,0,0,0|2,0,0]=4 38 B6R0.4 CSCCC(=O)O M20021 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.4 NCCCC(=O)O M15043 [2,0,0,0,0,0|2,0,0]=4 40 B8R0.4 NCCCCCCCN M21554 [1,1,0,0,0,0|1,0,1]=4 41 B8R0.8 CCCCC(C)C(=O)O M21371 [1,1,0,0,0,0|1,0,0]=3 42 B8R0.8 CCCCC(O)C(=O)O M20063 [1,1,0,0,0,0|1,0,0]=3 43 B8R0.8 CCCC[C@H](N)C(=O)O M19595 [1,1,0,0,0,0|1,0,0]=3 44 B8R0.8 CSCCC(N)C(=O)O M18867 [1,1,0,0,0,0|2,0,0]=4 45 B8R0.8 CSCCC(O)C(=O)[O-] M19845 [1,1,0,0,0,0|2,0,0]=4 46 B8R0.8 CSCC[C@H](N)C(=O)O M19651 [1,1,0,0,0,0|2,0,0]=4 47 B8R0.8 C[Se]CCC(N)C(=O)O M11993 [1,1,0,0,0,0|2,0,0]=4 48 B8R0.8 C[Se]CC[C@H](N)C(=O)O M20121 [1,1,0,0,0,0|2,0,0]=4 49 B8R0.8 NCCCC(N)C(=O)O M18420 [1,1,0,0,0,0|2,0,0]=4 50 B8R0.8 NCCC[C@@H](N)C(=O)O M12545 [1,1,0,0,0,0|2,0,0]=4 51 B8R0.8 NCCC[C@H](N)C(=O)O M15698 [1,1,0,0,0,0|2,0,0]=4 52 B8R0.8 NCCC[C@H](N)C(=O)O M27087 [1,1,0,0,0,0|2,0,0]=4 53 B8R0.28 CC(=O)CCC=C(C)C M29386 [1,1,0,0,0,0|0,0,2]=4 54 B8R0.28 CC(C)CCCC(C)N M14951 [1,1,0,0,0,0|1,0,1]=4 55 B8R0.28 CC(C)CCCC(C)N M27569 [1,1,0,0,0,0|1,0,1]=4 56 B10R0.3 CC(C)=CCCC(C)CCO M17791 [0,2,0,0,0,0|1,0,1]=4 57 B10R0.3 CC(C)=CCC[C@@H](C)CCO M21414 [0,2,0,0,0,0|1,0,1]=4 58 B10R0.82 NCC(O)CCC(N)C(=O)O M19731 [0,2,0,0,0,0|2,0,0]=4 59 B10R0.4 CCCCCCCCC(=O)O M19549 [0,2,0,0,0,0|1,0,0]=3 60 B10R0.4 NCCCCCCCC(=O)O M21406 [0,2,0,0,0,0|1,0,0]=3 61 B10R0.6 CCCCCC(O)CC(=O)O M28858 [0,2,0,0,0,0|1,0,0]=3 62 B10R0.74 C#CCCCCNC(=O)CI M24983 [0,2,0,0,0,0|0,0,2]=4 63 B10R0.74 CCCCCCCC(=O)OC M29391 [0,2,0,0,0,0|0,0,0]=2 64 B10R0.75 CCCCCCC(N)C(=O)O M28713 [0,2,0,0,0,0|1,0,0]=3 65 B10R0.75 CCCCCCC(O)C(=O)O M20871 [0,2,0,0,0,0|1,0,0]=3 66 B10R0.75 N[C@@H](CSCCCO)C(=O)O M11291 [0,2,0,0,0,0|2,0,0]=4 67 B10R0.78 CCCCC(C)CCC(=O)O M21362 [0,2,0,0,0,0|1,0,0]=3 68 B10R0.97 O=C(O)CCCCCC(=O)O M19546 [0,2,0,0,0,0|1,0,1]=4 69 B8R1.5 CC1CCCCC1=O M28092 [1,0,0,1,0,0|0,0,0]=2 70 B8R1.5 NC1CCCNC1=O M26537 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.22 O=C1CCCCCN1 M27265 [1,0,0,1,0,0|1,0,0]=3 72 B8R1.1 CCC1CCC(=O)O1 M21388 [1,0,0,1,0,0|1,0,0]=3 73 B8R1.4 CC1CCCC(C)N1 M14714 [1,0,0,1,0,0|1,0,1]=4 74 B8R1.4 CC1CCNC(=N)C1 M27452 [1,0,0,1,0,0|2,0,0]=4 75 B8R1.7 O=C(O)C1CCCN1 M18044 [1,0,0,1,0,0|2,0,0]=4 76 B8R1.7 O=C(O)[C@H]1CCCN1 M20032 [1,0,0,1,0,0|2,0,0]=4 77 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 M21370 [0,1,0,1,0,0|1,0,0]=3 78 B10R1.61 O=C(O)C1CCCCN1O M23336 [0,1,0,1,0,0|2,0,0]=4 79 B10R1.15 COC(=O)C1CCCCC1 M27564 [0,1,0,1,0,0|0,0,0]=2 80 B10R1.128 C[N+]1(C)CCC[C@H]1C(=O)O M18531 [0,1,0,1,0,0|2,0,0]=4 81 B10R1.128 C[N+]1(C)CCC[C@H]1C(=O)[O-] M20448 [0,1,0,1,0,0|2,0,0]=4 82 B10R2.71 O=C1CC2CCC(C1)N2 M13768 [0,0,0,2,0,0|1,0,0]=3