0 B9R0.47 CC(C(OCCCC)=O)=O M10165130P [0,0,0,0,0,0|3,0,1]=4 1 B9R0.47 O=C(O)[C@@H](N)CCCCN M10073031P [0,0,0,0,0,0|2,0,0]=2 2 B9R0.47 O=C(O)[C@@H](N)CCCCN M10197723P [0,0,0,0,0,0|2,0,0]=2 3 B8R0.6 C#CC(O)CCCCC M10021227P [1,0,0,0,0,0|2,0,1]=4 4 B8R0.6 CCCCCC([O-])CC M10026061P [1,0,0,0,0,0|2,0,1]=4 5 B8R0.6 OCC(O)CCCCO M10003368P [1,0,0,0,0,0|2,0,1]=4 6 B8R0.7 BrCCCCOC(C)=O M10065998P [1,0,0,0,0,0|3,0,0]=4 7 B8R0.7 C#CCCCCC(O)=O M10212111P [1,0,0,0,0,0|0,0,2]=3 8 B8R0.7 C=CCCCCC(O)=O M10027121P [1,0,0,0,0,0|0,0,2]=3 9 B8R0.7 CC(O)CCCCCC M10060290P [1,0,0,0,0,0|1,0,1]=3 10 B8R0.7 CC(O)COCCCC M10069007P [1,0,0,0,0,0|2,0,1]=4 11 B8R0.7 CCCCCCB(O)O M10142242P [1,0,0,0,0,0|1,0,1]=3 12 B8R0.7 CCCC\C=C\C(O)=O M10158440P [1,0,0,0,0,0|0,0,2]=3 13 B8R0.7 CSCCCOC(C)=O M10144018P [1,0,0,0,0,0|3,0,0]=4 14 B8R0.7 C[C@@H](O)CCCCCC M10082518P [1,0,0,0,0,0|1,0,1]=3 15 B8R0.7 C[C@H](O)CCCCCC M10084602P [1,0,0,0,0,0|1,0,1]=3 16 B8R0.7 O=C(Cl)CCCCCBr M10176911P [1,0,0,0,0,0|2,0,0]=3 17 B8R0.7 O=C(Cl)OCCCCC M10017366P [1,0,0,0,0,0|2,0,0]=3 18 B8R0.7 O=C(Cl)OCCOCC M10016994P [1,0,0,0,0,0|3,0,0]=4 19 B8R0.7 O=C(O)CCCCCN M10196151P [1,0,0,0,0,0|1,0,0]=2 20 B8R0.7 O=C(O)COCCCC M10044886P [1,0,0,0,0,0|1,0,0]=2 21 B8R0.7 O=C(O)COCCOC M10140131P [1,0,0,0,0,0|2,0,0]=3 22 B8R0.8 O=C(O)C(Br)CCCBr M10030963P [1,0,0,0,0,0|2,0,0]=3 23 B8R0.8 O=C(O)C(O)CCSC M10014771P [1,0,0,0,0,0|2,0,0]=3 24 B8R0.8 O=C(O)[C@@H](N)CCCN M10000749P [1,0,0,0,0,0|2,0,0]=3 25 B8R0.8 O=C(O)[C@@H](N)CCCN M10312953P [1,0,0,0,0,0|2,0,0]=3 26 B8R0.8 O=C([O-])C(O)CCSC M10066845P [1,0,0,0,0,0|2,0,1]=4 27 B10R0.42 O=P(C(C)(NCCCC)C)O M10148714P [0,1,0,0,0,0|2,0,0]=3 28 B10R0.75 CCCCCCC(Br)C(O)=O M10186759P [0,1,0,0,0,0|1,0,0]=2 29 B10R0.82 O=C(O)[C@@H](N)CC[C@@H](O)CN M12277882P [0,1,0,0,0,0|2,0,0]=3 30 B10R1.113 O=C(C1CC(NCC1)=O)O M10185359P [0,0,0,1,0,0|2,0,1]=4 31 B10R1.113 O=C(C1CN(C)CCC1)O M10163850P [0,0,0,1,0,0|1,0,0]=2 32 B10R1.113 O=C([C@@H]1NCC[C@@H](C)C1)O M10457687P [0,0,0,1,0,0|1,0,0]=2 33 B10R1.348 O=C(C1CCCCCC1)O M10031109P [0,0,0,1,0,0|0,0,0]=1 34 B10R1.348 O=C(C1NCCCCC1)O M10069811P [0,0,0,1,0,0|1,0,0]=2 35 B10R1.363 CC1(C(C)=O)CCCCC1 M10048720P [0,0,0,1,0,0|1,0,0]=2 36 B10R1.363 O=C(C1(N)CCNCC1)O M10244474P [0,0,0,1,0,0|2,0,0]=3 37 B10R1.363 O=C([C@]1(C)NCCCC1)O M10657068P [0,0,0,1,0,0|1,0,0]=2 38 B7R0.1 C=CCCCCCCl M10023319P [2,0,0,0,0,0|2,0,0]=4 39 B7R0.1 CCCCCCCI M10061657P [2,0,0,0,0,0|1,0,1]=4 40 B7R0.3 C=CC(O)CCCC M10067454P [2,0,0,0,0,0|2,0,0]=4 41 B7R0.4 CC(CCCCBr)=O M10113189P [2,0,0,0,0,0|1,0,1]=4 42 B7R0.4 CC(N)CCCCC M10004600P [2,0,0,0,0,0|1,0,0]=3 43 B7R0.4 CC(O)CNCCN M10004602P [2,0,0,0,0,0|2,0,0]=4 44 B7R0.4 CCCCCB(O)O M10065828P [2,0,0,0,0,0|1,0,1]=4 45 B7R0.4 CCCCCC(Cl)=O M10005436P [2,0,0,0,0,0|1,0,0]=3 46 B7R0.4 O=C(N)NCCCC M10195780P [2,0,0,0,0,0|2,0,0]=4 47 B7R0.4 O=C(N)NCCCC M10200467P [2,0,0,0,0,0|2,0,0]=4 48 B7R0.4 O=C(O)CCCC#N M10239045P [2,0,0,0,0,0|1,0,1]=4 49 B7R0.4 O=C(O)CCCCO M10123275P [2,0,0,0,0,0|1,0,0]=3 50 B7R0.4 O=C(O)CCOCC M10062024P [2,0,0,0,0,0|1,0,0]=3 51 B7R0.4 O=C(O)CNCCN M10183221P [2,0,0,0,0,0|2,0,0]=4 52 B7R0.4 O=C(O)COCCC M10276951P [2,0,0,0,0,0|1,0,0]=3 53 B7R0.4 O=C([O-])CCCCO M10233260P [2,0,0,0,0,0|1,0,1]=4 54 B7R0.5 CCCC(Br)C(O)=O M10014810P [2,0,0,0,0,0|1,0,0]=3 55 B7R0.5 CCCC(C)C(O)=O M10209692P [2,0,0,0,0,0|0,0,0]=2 56 B7R0.5 CC\C=C(C)\C(O)=O M10051561P [2,0,0,0,0,0|0,0,2]=4 57 B7R0.5 O=C(O)C(Cl)COC M10045189P [2,0,0,0,0,0|2,0,0]=4 58 B7R0.5 O=C(O)C(F)CCN M10193859P [2,0,0,0,0,0|2,0,0]=4 59 B7R0.5 O=C(O)C(N)CCN M10024859P [2,0,0,0,0,0|2,0,0]=4 60 B7R0.5 O=C(O)[C@@H](N)COC M10217767P [2,0,0,0,0,0|2,0,0]=4 61 B7R0.5 O=C(O)[C@@H](N)COC M10861260P [2,0,0,0,0,0|2,0,0]=4 62 B7R0.5 O=C(O)[C@H](N)COC M10505436P [2,0,0,0,0,0|2,0,0]=4 63 B7R0.5 O=C(O)[C@H](N)COC M10505437P [2,0,0,0,0,0|2,0,0]=4 64 B9R0.2 C=CCCCCCC(O)=O M10156973P [1,1,0,0,0,0|0,0,1]=3 65 B9R0.2 O=C(O)CCCCCCN M10378899P [1,1,0,0,0,0|0,0,0]=2 66 B9R0.2 O=C(O)CCCCCCO M10056977P [1,1,0,0,0,0|0,0,0]=2 67 B9R0.2 O=C(O)CCCCCOC M10246469P [1,1,0,0,0,0|0,0,0]=2 68 B9R0.38 CCCCCCP(O)(O)=O M10065651P [1,1,0,0,0,0|1,0,0]=3 69 B9R0.55 O=C(O)CCCCC(C)=O M10051384P [1,1,0,0,0,0|0,0,1]=3 70 B9R0.7 CC(C)CC[C@@H](N)C(O)=O M10747756P [1,1,0,0,0,0|1,0,0]=3 71 B9R0.7 CC(C)CC[C@H](N)C(O)=O M10215341P [1,1,0,0,0,0|1,0,0]=3 72 B9R0.13 CCCCC(CC)C(Cl)=O M10020004P [1,1,0,0,0,0|1,0,0]=3 73 B9R0.13 CCCCC(CC)C([O-])=O M10188990P [1,1,0,0,0,0|0,0,1]=3 74 B9R0.13 CCCCC(CC)C([O-])=O M12014329P [1,1,0,0,0,0|0,0,1]=3 75 B11R0.77 CC(OC(CCCCC)C=C)=O M10044015P [0,1,0,0,0,1|1,0,1]=4 76 B11R0.142 CCCCCCC(Br)C(OC)=O M10075136P [0,2,0,0,0,0|1,0,0]=3 77 B11R0.155 CCCCCC(C(OCC)=O)=O M10120553P [0,2,0,0,0,0|1,0,1]=4 78 B9R1.5 O=C1NCCCCC1N M10018058P [1,0,0,1,0,0|2,0,0]=4 79 B9R1.5 O=C1NCCCC[C@H]1N M10204271P [1,0,0,1,0,0|2,0,0]=4 80 B9R1.6 CC(C1CCCCC1)=O M10021388P [1,0,0,1,0,0|1,0,0]=3 81 B9R1.6 CC(C1CCOCC1)=O M10742643P [1,0,0,1,0,0|2,0,0]=4 82 B9R1.6 O=C(C1=CCCCC1)O M10017285P [1,0,0,1,0,0|0,0,2]=4 83 B9R1.6 O=C(C1CCCCC1)O M10002681P [1,0,0,1,0,0|0,0,0]=2 84 B9R1.6 O=C(C1CCCCC1)[O-] M10005124P [1,0,0,1,0,0|0,0,1]=3 85 B9R1.6 O=C(C1CCCCO1)O M10261099P [1,0,0,1,0,0|1,0,0]=3 86 B9R1.6 O=C(C1CCOCC1)O M10071426P [1,0,0,1,0,0|1,0,0]=3 87 B9R1.6 O=C(C1COCCC1)O M10012480P [1,0,0,1,0,0|1,0,0]=3 88 B9R1.6 O=C(C1NCCNC1)O M10047414P [1,0,0,1,0,0|2,0,0]=4 89 B9R1.6 O=C(C1NCCSC1)O M10168222P [1,0,0,1,0,0|2,0,0]=4 90 B9R1.6 O=C(Cl)C1CCOCC1 M10241966P [1,0,0,1,0,0|2,0,0]=4 91 B9R1.6 O=C([C@@H]1NCCNC1)O M10723219P [1,0,0,1,0,0|2,0,0]=4 92 B9R1.6 O=C([C@H]1CNCCC1)O M11020814P [1,0,0,1,0,0|1,0,0]=3 93 B9R1.13 O=C(O)CC1COCC1 M10746626P [1,0,0,1,0,0|1,0,0]=3 94 B9R1.13 O=C(O)CC1OCCC1 M10043869P [1,0,0,1,0,0|1,0,0]=3 95 B9R1.13 O=C(O)C[C@@H]1NCCC1 M10330790P [1,0,0,1,0,0|1,0,0]=3 96 B9R1.13 O=C(O)C[C@@H]1NCCC1 M10879019P [1,0,0,1,0,0|1,0,0]=3 97 B9R1.13 O=C(O)C[C@H]1CNCC1 M10715094P [1,0,0,1,0,0|1,0,0]=3 98 B9R1.41 O=C([C@H]1N(C)CCC1)O M10011652P [1,0,0,1,0,0|1,0,0]=3 99 B9R1.35 O=C(C1CC(CC1)=O)O M10002671P [1,0,0,1,0,0|1,0,1]=4 100 B9R1.35 O=C(C1CN(C)CC1)O M10190927P [1,0,0,1,0,0|1,0,0]=3 101 B9R1.35 O=C(C1CN(C)CC1)O M10254714P [1,0,0,1,0,0|1,0,0]=3 102 B9R1.35 O=C([C@@H]1NC[C@@H](O)C1)O M10758337P [1,0,0,1,0,0|2,0,0]=4 103 B9R1.35 O=C([C@@H]1NC[C@H](O)C1)O M10467856P [1,0,0,1,0,0|2,0,0]=4 104 B9R1.163 O=C([C@@]1(C)NCCC1)O M10249798P [1,0,0,1,0,0|1,0,0]=3 105 B9R1.163 O=C([C@]1(C)NCCC1)O M10392222P [1,0,0,1,0,0|1,0,0]=3 106 B11R1.35 O=C(O)[C@H](N)CC1CCCC1 M10637351P [0,1,0,1,0,0|1,0,0]=3 107 B11R1.36 O=C(O)C(N)C1CCOCC1 M10269816P [0,1,0,1,0,0|1,0,0]=3 108 B11R1.36 O=C(O)[C@H](N)C1CCOCC1 M10882601P [0,1,0,1,0,0|1,0,0]=3 109 B11R1.3 O=C(C1CCC(OC)CC1)O M10625307P [0,1,0,1,0,0|1,0,0]=3 110 B11R1.3 O=C([C@H]1CC[C@H](CC)CC1)O M10096559P [0,1,0,1,0,0|0,0,0]=2 111 B11R1.23 O=C(C1CN(C)CCC1)OC M10034835P [0,1,0,1,0,0|1,0,0]=3 112 B11R1.852 O=C(C1CCCCCC1)OC M10314157P [0,1,0,1,0,0|0,0,0]=2 113 B11R1.878 O=C(C1(N)CCCCC1)OC M10064001P [0,1,0,1,0,0|1,0,0]=3 114 B11R1.175 O=C(C1CC(C(O)=O)CC1)O M10059634P [0,1,0,1,0,0|1,0,1]=4 115 B11R1.730 O=C(C1CC(C)(C)OCC1)O M10267807P [0,1,0,1,0,0|1,0,0]=3 116 B11R0.46 O=C(O)CCN(C)CCCCC M10903205P [0,0,0,0,0,2|1,0,0]=3