0 B8R0.7 CC(=O)NCCCCN M20805 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.7 CCCCCCC(=O)O M19552 [0,0,0,0,0,0|1,0,1]=2 2 B8R0.7 NCCCCCC(=O)O M15254 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.1 CCCCCON=O M19466 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.1 CCCSSCCC M24629 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.1 COCCOCCBr M26972 [1,0,0,0,0,0|3,0,0]=4 6 B7R0.1 NCCCNCCS M29602 [1,0,0,0,0,0|2,1,0]=4 7 B7R0.4 CCCCCC(=O)O M19562 [1,0,0,0,0,0|1,0,1]=3 8 B7R0.4 CCCCCC(C)N M10956 [1,0,0,0,0,0|1,0,0]=2 9 B7R0.4 CCCCCC(C)O M28052 [1,0,0,0,0,0|0,0,0]=1 10 B7R0.4 NCCCCC(=O)O M19658 [1,0,0,0,0,0|2,0,1]=4 11 B9R0.2 CC(=O)NCCCCCN M19992 [0,1,0,0,0,0|1,0,2]=4 12 B9R0.2 CCCCCCCC(=O)O M19558 [0,1,0,0,0,0|1,0,1]=3 13 B9R0.2 CCCCCNCC(N)=O M28420 [0,1,0,0,0,0|1,0,2]=4 14 B9R0.2 CCCCC\C=C\C(=O)O M20010 [0,1,0,0,0,0|1,0,2]=4 15 B9R0.47 CCCCCC(C)C(=O)O M21372 [0,1,0,0,0,0|1,0,1]=3 16 B9R0.47 CCSCC[C@H](N)C(=O)O M23462 [0,1,0,0,0,0|2,0,1]=4 17 B9R0.47 NCCCCC(N)C(=O)O M18826 [0,1,0,0,0,0|2,0,1]=4 18 B9R0.47 NCCCC[C@H](N)C(=O)O M21400 [0,1,0,0,0,0|2,0,1]=4 19 B9R1.6 O=C(O)C1CCCCC1 M20308 [0,0,0,1,0,0|1,0,1]=3 20 B9R1.6 O=C(O)C1CCCCN1 M19618 [0,0,0,1,0,0|2,0,1]=4 21 B9R1.6 O=C(O)C1CCNCC1 M27557 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.6 O=C(O)[C@@H]1CCCCN1 M19590 [0,0,0,1,0,0|2,0,1]=4 23 B9R1.41 CN1CCC[C@H]1C(=O)O M28313 [0,0,0,1,0,0|2,0,1]=4 24 B6R0.6 CCCCCCO M29392 [2,0,0,0,0,0|0,0,0]=2 25 B6R0.6 CC\C=C/CCO M27539 [2,0,0,0,0,0|0,0,2]=4 26 B6R0.6 COCCCCO M22101 [2,0,0,0,0,0|1,0,0]=3 27 B6R0.6 NCCCCCN M19735 [2,0,0,0,0,0|2,0,0]=4 28 B6R0.6 OCCNCCO M19680 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.6 OCCSCCO M10422 [2,0,0,0,0,0|2,0,0]=4 30 B6R0.4 CCCCC(=O)O M19748 [2,0,0,0,0,0|1,0,1]=4 31 B6R0.4 CCCCC(C)=O M20883 [2,0,0,0,0,0|0,0,2]=4 32 B8R0.4 NCCCCCCCN M21554 [1,1,0,0,0,0|1,0,0]=3 33 B8R0.4 NCCCNCCCN M19708 [1,1,0,0,0,0|2,0,0]=4 34 B8R0.5 CCOC(=O)CC(C)O M27074 [1,1,0,0,0,0|1,0,1]=4 35 B8R0.8 CCCCC(C)C(=O)O M21371 [1,1,0,0,0,0|1,0,1]=4 36 B8R0.8 CCCCC(O)C(=O)O M20063 [1,1,0,0,0,0|1,0,1]=4 37 B8R0.8 CCCC[C@H](N)C(=O)O M19595 [1,1,0,0,0,0|1,0,1]=4 38 B8R0.28 CC(C)CCCC(C)N M14951 [1,1,0,0,0,0|1,0,0]=3 39 B8R0.28 CC(C)CCCC(C)N M27569 [1,1,0,0,0,0|1,0,0]=3 40 B10R0.4 CCCCCCCCC(=O)O M19549 [0,2,0,0,0,0|1,0,1]=4 41 B10R0.4 NCCCCCCCC(=O)O M21406 [0,2,0,0,0,0|1,0,1]=4 42 B10R0.6 CCCCCC(O)CC(=O)O M28858 [0,2,0,0,0,0|1,0,1]=4 43 B10R0.74 CCCCCCCC(=O)OC M29391 [0,2,0,0,0,0|0,0,2]=4 44 B10R0.75 CCCCCCC(N)C(=O)O M28713 [0,2,0,0,0,0|1,0,0]=3 45 B10R0.75 CCCCCCC(O)C(=O)O M20871 [0,2,0,0,0,0|0,0,1]=3 46 B10R0.78 CCCCC(C)CCC(=O)O M21362 [0,2,0,0,0,0|1,0,1]=4 47 B8R1.5 CC1CCCCC1=O M28092 [1,0,0,1,0,0|0,0,2]=4 48 B8R1.5 O[C@@H]1CCCC[C@H]1O M19563 [1,0,0,1,0,0|1,0,0]=3 49 B8R1.1 CCC1CCC(=O)O1 M21388 [1,0,0,1,0,0|1,0,1]=4 50 B8R1.4 CC1CCCC(C)N1 M14714 [1,0,0,1,0,0|1,0,0]=3 51 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 M21370 [0,1,0,1,0,0|1,0,1]=4 52 B10R1.15 COC(=O)C1CCCCC1 M27564 [0,1,0,1,0,0|0,0,2]=4 53 B10R2.71 OC1C[C@@H]2CC[C@H](C1)N2 M14919 [0,0,0,2,0,0|1,0,0]=3