0 B9R0.13 CCCCC(CC)C(Cl)=O M10020004P [0,0,0,0,0,0|2,0,0]=2 1 B9R0.13 CCCCC(CC)C([O-])=O M10188990P [0,0,0,0,0,0|2,0,0]=2 2 B9R0.13 CCCCC(CC)C([O-])=O M12014329P [0,0,0,0,0,0|2,0,0]=2 3 B8R0.8 O=C(O)C(Br)CCCBr M10030963P [1,0,0,0,0,0|3,0,0]=4 4 B8R0.8 O=C(O)C(O)CCSC M10014771P [1,0,0,0,0,0|2,0,0]=3 5 B8R0.8 O=C(O)[C@@H](N)CCCN M10000749P [1,0,0,0,0,0|3,0,0]=4 6 B8R0.8 O=C(O)[C@@H](N)CCCN M10312953P [1,0,0,0,0,0|3,0,0]=4 7 B8R0.8 O=C([O-])C(O)CCSC M10066845P [1,0,0,0,0,0|2,0,0]=3 8 B8R0.11 CCCCC(CC)CS M10104023P [1,0,0,0,0,0|0,1,1]=3 9 B8R0.11 OCC(CCCC)CO M10045937P [1,0,0,0,0,0|0,0,2]=3 10 B10R1.13 CC(C1CCN(C)CC1)=O M10167003P [0,0,0,1,0,0|2,0,0]=3 11 B10R1.13 CC(N1CCC(N)CC1)=O M10788879P [0,0,0,1,0,0|3,0,0]=4 12 B10R1.13 CC(N1CCC(O)CC1)=O M10059548P [0,0,0,1,0,0|3,0,0]=4 13 B10R1.13 O=C(C1CCC(N)CC1)O M10036114P [0,0,0,1,0,0|3,0,0]=4 14 B10R1.13 O=C(C1CCC(O)CC1)O M10149467P [0,0,0,1,0,0|3,0,0]=4 15 B10R1.13 O=C(C1CCN(C)CC1)O M10432345P [0,0,0,1,0,0|3,0,0]=4 16 B10R1.13 O=C([C@H]1CC[C@H](C)CC1)O M10120307P [0,0,0,1,0,0|2,0,0]=3 17 B10R1.13 O=C([C@H]1CC[C@H](F)CC1)O M10803086P [0,0,0,1,0,0|3,0,0]=4 18 B10R1.13 O=C([C@H]1CC[C@H](N)CC1)O M10056733P [0,0,0,1,0,0|3,0,0]=4 19 B10R1.13 O=C([C@H]1CC[C@H](N)CC1)O M10200307P [0,0,0,1,0,0|3,0,0]=4 20 B10R1.19 O=C1N(C=C)CCCCC1 M10041605P [0,0,0,1,0,0|2,0,1]=4 21 B10R1.29 O=C1N(CCCC)CCC1 M10054808P [0,0,0,1,0,0|2,0,0]=3 22 B10R1.61 N[C@H]1[C@H](N(C)C)CCCC1 M10858010P [0,0,0,1,0,0|3,0,0]=4 23 B10R1.61 O=C(C1C(O)CCCC1)O M10015822P [0,0,0,1,0,0|1,0,0]=2 24 B10R1.61 O=C([C@@H]1N(C)CCCC1)O M10245935P [0,0,0,1,0,0|3,0,0]=4 25 B10R1.61 O=C1C(C(C)=O)CCCC1 M10022320P [0,0,0,1,0,0|0,0,2]=3 26 B10R1.348 O=C(C1CCCCCC1)O M10031109P [0,0,0,1,0,0|2,0,0]=3 27 B10R1.348 O=C(C1NCCCCC1)O M10069811P [0,0,0,1,0,0|3,0,0]=4 28 B7R0.3 C=CC(O)CCCC M10067454P [2,0,0,0,0,0|0,0,1]=3 29 B7R0.4 CC(CCCCBr)=O M10113189P [2,0,0,0,0,0|1,0,0]=3 30 B7R0.4 CC(N)CCCCC M10004600P [2,0,0,0,0,0|1,0,1]=4 31 B7R0.4 CC(OCCOC)=O M10003718P [2,0,0,0,0,0|2,0,0]=4 32 B7R0.4 CCCCCC(Cl)=O M10005436P [2,0,0,0,0,0|1,0,0]=3 33 B7R0.4 O=C(N)NCCCC M10195780P [2,0,0,0,0,0|2,0,0]=4 34 B7R0.4 O=C(N)NCCCC M10200467P [2,0,0,0,0,0|2,0,0]=4 35 B7R0.4 O=C(O)CCCCO M10123275P [2,0,0,0,0,0|2,0,0]=4 36 B7R0.4 O=C(O)CCOCC M10062024P [2,0,0,0,0,0|2,0,0]=4 37 B7R0.4 O=C(O)COCCC M10276951P [2,0,0,0,0,0|2,0,0]=4 38 B7R0.4 O=C([O-])CCCCO M10233260P [2,0,0,0,0,0|2,0,0]=4 39 B7R0.5 CC(C(CCC)=O)=O M10058081P [2,0,0,0,0,0|0,0,2]=4 40 B7R0.5 CCCC(Br)C(O)=O M10014810P [2,0,0,0,0,0|2,0,0]=4 41 B7R0.5 CCCC(C)C(O)=O M10209692P [2,0,0,0,0,0|1,0,0]=3 42 B7R0.12 OCC(CCC)CO M10045939P [2,0,0,0,0,0|0,0,2]=4 43 B7R0.15 CC(N(CC)CC)=O M10018363P [2,0,0,0,0,0|2,0,0]=4 44 B9R0.7 CC(C)CC[C@@H](N)C(O)=O M10747756P [1,1,0,0,0,0|2,0,0]=4 45 B9R0.7 CC(C)CC[C@H](N)C(O)=O M10215341P [1,1,0,0,0,0|2,0,0]=4 46 B9R0.8 CCCCC(Br)C(OC)=O M10064420P [1,1,0,0,0,0|1,0,0]=3 47 B9R0.8 CCCCC(Br)C(OC)=O M10437847P [1,1,0,0,0,0|1,0,0]=3 48 B9R0.8 O=C(OC)[C@@H](N)CCCN M10242020P [1,1,0,0,0,0|2,0,0]=4 49 B9R0.47 CC(C(OCCCC)=O)=O M10165130P [1,1,0,0,0,0|0,0,2]=4 50 B9R0.47 O=C(O)[C@@H](N)CCCCN M10073031P [1,1,0,0,0,0|2,0,0]=4 51 B9R0.47 O=C(O)[C@@H](N)CCCCN M10197723P [1,1,0,0,0,0|2,0,0]=4 52 B11R0.77 CC(OC(CCCCC)C=C)=O M10044015P [0,1,0,0,0,1|1,0,1]=4 53 B11R0.160 CSCC[C@H](C(O)=O)NC(C)=O M10031971P [0,1,0,0,0,1|1,0,1]=4 54 B11R0.191 CCCCC(CC)C(OCC)=O M10049843P [0,2,0,0,0,0|1,0,0]=3 55 B9R1.5 O=C1NCCCCC1N M10018058P [1,0,0,1,0,0|2,0,0]=4 56 B9R1.5 O=C1NCCCC[C@H]1N M10204271P [1,0,0,1,0,0|2,0,0]=4 57 B9R1.6 CC(C1CCCCC1)=O M10021388P [1,0,0,1,0,0|0,0,0]=2 58 B9R1.6 CC(C1CCOCC1)=O M10742643P [1,0,0,1,0,0|1,0,0]=3 59 B9R1.6 O=C(C1CCCCC1)O M10002681P [1,0,0,1,0,0|1,0,0]=3 60 B9R1.6 O=C(C1CCCCC1)[O-] M10005124P [1,0,0,1,0,0|1,0,0]=3 61 B9R1.6 O=C(C1CCCCO1)O M10261099P [1,0,0,1,0,0|1,0,0]=3 62 B9R1.6 O=C(C1CCOCC1)O M10071426P [1,0,0,1,0,0|2,0,0]=4 63 B9R1.6 O=C(C1COCCC1)O M10012480P [1,0,0,1,0,0|2,0,0]=4 64 B9R1.6 O=C(Cl)C1CCOCC1 M10241966P [1,0,0,1,0,0|2,0,0]=4 65 B9R1.6 O=C([C@H]1CNCCC1)O M11020814P [1,0,0,1,0,0|2,0,0]=4 66 B9R1.35 O=C(C1CN(C)CC1)O M10190927P [1,0,0,1,0,0|2,0,0]=4 67 B9R1.35 O=C(C1CN(C)CC1)O M10254714P [1,0,0,1,0,0|2,0,0]=4 68 B9R1.163 O=C([C@@]1(C)NCCC1)O M10249798P [1,0,0,1,0,0|2,0,0]=4 69 B9R1.163 O=C([C@]1(C)NCCC1)O M10392222P [1,0,0,1,0,0|2,0,0]=4 70 B9R1.1 OCC1CCN(C)CC1 M10167002P [1,0,0,1,0,0|1,0,1]=4 71 B9R1.15 O[C@H]1[C@H](NC)CCCC1 M10171206P [1,0,0,1,0,0|1,0,0]=3 72 B9R1.33 O=C1N(CCC)CCC1 M10054809P [1,0,0,1,0,0|2,0,0]=4 73 B11R1.20 CC(NC1CCC(O)CC1)=O M10179554P [0,0,0,1,0,1|2,0,0]=4 74 B11R1.53 O=C([C@@H]1[C@@H](CO)CCCC1)N M10699987P [0,0,0,1,0,1|1,0,0]=3 75 B11R1.22 O=C(C1CCC(O)CC1)OC M10149669P [0,1,0,1,0,0|2,0,0]=4 76 B11R1.22 O=C(C1CCN(C)CC1)OC M10034838P [0,1,0,1,0,0|2,0,0]=4 77 B11R1.22 O=C([C@H]1CC[C@H](O)CC1)OC M10084042P [0,1,0,1,0,0|2,0,0]=4 78 B11R1.852 O=C(C1CCCCCC1)OC M10314157P [0,1,0,1,0,0|1,0,0]=3 79 B11R1.3 O=C(C1CCC(OC)CC1)O M10625307P [0,1,0,1,0,0|2,0,0]=4 80 B11R1.3 O=C([C@H]1CC[C@H](CC)CC1)O M10096559P [0,1,0,1,0,0|2,0,0]=4 81 B9R0.4 CC(OC(C)=O)COCC M10278996P [1,0,0,0,0,1|1,0,0]=3 82 B11R0.164 CCCCC(CC)CCC(O)=O M10143115P [0,0,0,0,0,2|2,0,0]=4 83 B11R0.164 O=C(Cl)OCC(CC)CCCC M10185016P [0,0,0,0,0,2|2,0,0]=4