0 B8R0.8 O=C(O)C(Br)CCCBr M10030963P [0,0,0,0,0,0|3,0,0]=3 1 B8R0.8 O=C(O)C(O)CCSC M10014771P [0,0,0,0,0,0|1,0,0]=1 2 B8R0.8 O=C(O)[C@@H](N)CCCN M10000749P [0,0,0,0,0,0|2,0,0]=2 3 B8R0.8 O=C(O)[C@@H](N)CCCN M10312953P [0,0,0,0,0,0|2,0,0]=2 4 B8R0.8 O=C([O-])C(O)CCSC M10066845P [0,0,0,0,0,0|1,0,1]=2 5 B7R0.3 C=CC(O)CCCC M10067454P [1,0,0,0,0,0|3,0,0]=4 6 B7R0.4 CC(CCCCBr)=O M10113189P [1,0,0,0,0,0|3,0,0]=4 7 B7R0.4 CC(OCCOC)=O M10003718P [1,0,0,0,0,0|2,1,0]=4 8 B7R0.4 CCCCCB(O)O M10065828P [1,0,0,0,0,0|2,0,1]=4 9 B7R0.4 CCCCCC(Cl)=O M10005436P [1,0,0,0,0,0|2,0,0]=3 10 B7R0.4 O=C(N)NCCCC M10195780P [1,0,0,0,0,0|3,0,0]=4 11 B7R0.4 O=C(N)NCCCC M10200467P [1,0,0,0,0,0|3,0,0]=4 12 B7R0.4 O=C(O)CCCC#N M10239045P [1,0,0,0,0,0|2,0,0]=3 13 B7R0.4 O=C(O)CCCCO M10123275P [1,0,0,0,0,0|2,0,0]=3 14 B7R0.4 O=C(O)CCOCC M10062024P [1,0,0,0,0,0|2,0,0]=3 15 B7R0.4 O=C(O)CNCCN M10183221P [1,0,0,0,0,0|3,0,0]=4 16 B7R0.4 O=C(O)COCCC M10276951P [1,0,0,0,0,0|2,0,0]=3 17 B7R0.4 O=C([O-])CCCCO M10233260P [1,0,0,0,0,0|2,0,1]=4 18 B7R0.5 C#CC[C@H](N)C(O)=O M10179000P [1,0,0,0,0,0|0,0,2]=3 19 B7R0.5 C=CC[C@@H](N)C(O)=O M10668722P [1,0,0,0,0,0|0,0,2]=3 20 B7R0.5 C=CC[C@H](N)C(O)=O M10826425P [1,0,0,0,0,0|0,0,2]=3 21 B7R0.5 CC(C(CCC)=O)=O M10058081P [1,0,0,0,0,0|2,0,1]=4 22 B7R0.5 CCCC(Br)C(O)=O M10014810P [1,0,0,0,0,0|1,0,0]=2 23 B7R0.5 CCCC(C)C(O)=O M10209692P [1,0,0,0,0,0|1,0,0]=2 24 B7R0.5 CC\C=C(C)\C(O)=O M10051561P [1,0,0,0,0,0|1,0,2]=4 25 B7R0.5 O=C(O)C(Cl)COC M10045189P [1,0,0,0,0,0|1,1,0]=3 26 B7R0.5 O=C(O)C(F)CCN M10193859P [1,0,0,0,0,0|2,0,0]=3 27 B7R0.5 O=C(O)C(N)CCN M10024859P [1,0,0,0,0,0|1,0,0]=2 28 B7R0.5 O=C(O)C(OCC)=O M10016281P [1,0,0,0,0,0|2,0,1]=4 29 B7R0.5 O=C(O)[C@@H](N)COC M10217767P [1,0,0,0,0,0|0,1,0]=2 30 B7R0.5 O=C(O)[C@@H](N)COC M10861260P [1,0,0,0,0,0|0,1,0]=2 31 B7R0.5 O=C(O)[C@H](N)COC M10505436P [1,0,0,0,0,0|0,1,0]=2 32 B7R0.5 O=C(O)[C@H](N)COC M10505437P [1,0,0,0,0,0|0,1,0]=2 33 B9R0.7 CC(C)CC[C@@H](N)C(O)=O M10747756P [0,1,0,0,0,0|1,0,0]=2 34 B9R0.7 CC(C)CC[C@H](N)C(O)=O M10215341P [0,1,0,0,0,0|1,0,0]=2 35 B9R0.7 N[C@@H](CCC(N)=O)C(O)=O M10014819P [0,1,0,0,0,0|2,0,0]=3 36 B9R0.7 N[C@H](CCC(O)=O)C(O)=O M10005213P [0,1,0,0,0,0|2,0,0]=3 37 B9R0.7 O=C(O)CC[C@H](N)C(N)=O M10017277P [0,1,0,0,0,0|3,0,0]=4 38 B9R0.8 CCCCC(Br)C(OC)=O M10064420P [0,1,0,0,0,0|2,0,0]=3 39 B9R0.8 CCCCC(Br)C(OC)=O M10437847P [0,1,0,0,0,0|2,0,0]=3 40 B9R0.8 O=C(OC)[C@@H](N)CCCN M10242020P [0,1,0,0,0,0|2,0,0]=3 41 B9R0.8 [Zn+]OC([C@@H](N)CCSC)=O M10287809P [0,1,0,0,0,0|0,0,0]=1 42 B9R0.13 CCCCC(CC)C(Cl)=O M10020004P [0,1,0,0,0,0|3,0,0]=4 43 B9R0.13 CCCCC(CC)C([O-])=O M10188990P [0,1,0,0,0,0|2,0,1]=4 44 B9R0.13 CCCCC(CC)C([O-])=O M12014329P [0,1,0,0,0,0|2,0,1]=4 45 B9R0.47 O=C(O)[C@@H](N)CCCCN M10073031P [0,1,0,0,0,0|1,0,0]=2 46 B9R0.47 O=C(O)[C@@H](N)CCCCN M10197723P [0,1,0,0,0,0|1,0,0]=2 47 B9R1.5 O=C1NCCCCC1N M10018058P [0,0,0,1,0,0|2,0,0]=3 48 B9R1.5 O=C1NCCCC[C@H]1N M10204271P [0,0,0,1,0,0|2,0,0]=3 49 B9R1.6 CC(C1CCCCC1)=O M10021388P [0,0,0,1,0,0|3,0,0]=4 50 B9R1.6 CC(C1CCOCC1)=O M10742643P [0,0,0,1,0,0|2,1,0]=4 51 B9R1.6 O=C(C1=CCCCC1)O M10017285P [0,0,0,1,0,0|2,0,1]=4 52 B9R1.6 O=C(C1CCCCC1)O M10002681P [0,0,0,1,0,0|2,0,0]=3 53 B9R1.6 O=C(C1CCCCC1)[O-] M10005124P [0,0,0,1,0,0|2,0,1]=4 54 B9R1.6 O=C(C1CCCCO1)O M10261099P [0,0,0,1,0,0|2,0,0]=3 55 B9R1.6 O=C(C1CCOCC1)O M10071426P [0,0,0,1,0,0|1,1,0]=3 56 B9R1.6 O=C(C1COCCC1)O M10012480P [0,0,0,1,0,0|3,0,0]=4 57 B9R1.6 O=C(C1NCCNC1)O M10047414P [0,0,0,1,0,0|2,0,0]=3 58 B9R1.6 O=C(C1NCCSC1)O M10168222P [0,0,0,1,0,0|2,0,0]=3 59 B9R1.6 O=C(Cl)C1CCOCC1 M10241966P [0,0,0,1,0,0|2,1,0]=4 60 B9R1.6 O=C([C@@H]1NCCNC1)O M10723219P [0,0,0,1,0,0|2,0,0]=3 61 B9R1.6 O=C([C@H]1CNCCC1)O M11020814P [0,0,0,1,0,0|3,0,0]=4 62 B9R1.35 O=C(C1CC(CC1)=O)O M10002671P [0,0,0,1,0,0|3,0,0]=4 63 B9R1.35 O=C(C1CN(C)CC1)O M10190927P [0,0,0,1,0,0|2,0,0]=3 64 B9R1.35 O=C(C1CN(C)CC1)O M10254714P [0,0,0,1,0,0|2,0,0]=3 65 B9R1.35 O=C([C@@H]1CCC(O1)=O)O M10170449P [0,0,0,1,0,0|3,0,0]=4 66 B9R1.35 O=C([C@H]1CCC(O1)=O)O M10271394P [0,0,0,1,0,0|3,0,0]=4 67 B9R1.69 O=C1C(N)CCC(N1)=O M10042789P [0,0,0,1,0,0|3,0,0]=4 68 B9R1.69 O=C1C(N)CCC(N1)=O M11187066P [0,0,0,1,0,0|3,0,0]=4 69 B9R1.93 O=C([C@]1(N)[C@H](C=C)C1)O M10788000P [0,0,0,1,0,0|1,0,1]=3 70 B9R1.163 O=C([C@@]1(C)NCCC1)O M10249798P [0,0,0,1,0,0|3,0,0]=4 71 B9R1.163 O=C([C@]1(C)NCCC1)O M10392222P [0,0,0,1,0,0|3,0,0]=4 72 B6R0.1 C=CC(O)CCC M10066392P [2,0,0,0,0,0|2,0,0]=4 73 B6R0.1 CCCC(C)C=O M10004549P [2,0,0,0,0,0|1,0,0]=3 74 B6R0.1 CCC[C@H](N)CO M10176483P [2,0,0,0,0,0|0,0,1]=3 75 B6R0.4 C#CCCC(O)=O M10083651P [2,0,0,0,0,0|0,0,2]=4 76 B6R0.4 CC(CCCBr)=O M10058337P [2,0,0,0,0,0|2,0,0]=4 77 B6R0.4 CC\C=C\C(O)=O M10016889P [2,0,0,0,0,0|0,0,2]=4 78 B6R0.4 O=C(Cl)CCCBr M10023246P [2,0,0,0,0,0|2,0,0]=4 79 B6R0.4 O=C(O)CCC#N M10140304P [2,0,0,0,0,0|1,0,1]=4 80 B6R0.4 O=C(O)CCCCl M10016891P [2,0,0,0,0,0|1,0,0]=3 81 B6R0.4 O=C(O)CCOC M10045190P [2,0,0,0,0,0|0,1,0]=3 82 B6R0.4 O=C(O)CCSC M10017612P [2,0,0,0,0,0|0,0,0]=2 83 B6R0.4 O=C(O)COCC M10016894P [2,0,0,0,0,0|1,0,0]=3 84 B6R0.4 O=[Sn](CCCC)O M10042008P [2,0,0,0,0,0|1,0,0]=3 85 B6R0.6 OCCCCNC M10247660P [2,0,0,0,0,0|1,0,1]=4 86 B6R0.3 CC(C(S)CC)=O M10426560P [2,0,0,0,0,0|2,0,0]=4 87 B6R0.3 CC(NC)C(O)=O M10015418P [2,0,0,0,0,0|2,0,0]=4 88 B6R0.3 CC(OC)C(O)=O M10062023P [2,0,0,0,0,0|1,1,0]=4 89 B6R0.3 CCC(Br)C(Br)=O M10192304P [2,0,0,0,0,0|2,0,0]=4 90 B6R0.3 CCC(C(O)=O)=C M10055842P [2,0,0,0,0,0|1,0,1]=4 91 B6R0.3 C[C@@H](NC)C(O)=O M10206333P [2,0,0,0,0,0|2,0,0]=4 92 B6R0.3 N[C@@H](CS)C(O)=O M10201100P [2,0,0,0,0,0|0,0,0]=2 93 B6R0.3 N[C@H](CS)C(O)=O M10832565P [2,0,0,0,0,0|0,0,0]=2 94 B6R0.3 O=C(O)C(N)CS M10631134P [2,0,0,0,0,0|0,0,0]=2 95 B6R0.3 O=C(O)C(O)CCl M10035208P [2,0,0,0,0,0|2,0,0]=4 96 B6R0.3 O=C(O)[C@@H](N)CCl M10187309P [2,0,0,0,0,0|1,0,0]=3 97 B8R0.7 C#CCCCCC(O)=O M10212111P [1,1,0,0,0,0|1,0,1]=4 98 B8R0.7 C=CCCCCC(O)=O M10027121P [1,1,0,0,0,0|1,0,1]=4 99 B8R0.7 CCCC\C=C\C(O)=O M10158440P [1,1,0,0,0,0|1,0,1]=4 100 B8R0.7 CSCCCOC(C)=O M10144018P [1,1,0,0,0,0|1,0,0]=3 101 B8R0.7 O=C(Cl)CCCCCBr M10176911P [1,1,0,0,0,0|2,0,0]=4 102 B8R0.7 O=C(Cl)OCCCCC M10017366P [1,1,0,0,0,0|2,0,0]=4 103 B8R0.7 O=C(O)CCCCCN M10196151P [1,1,0,0,0,0|1,0,0]=3 104 B8R0.7 O=C(O)COCCCC M10044886P [1,1,0,0,0,0|1,0,0]=3 105 B8R0.7 O=C(O)COCCOC M10140131P [1,1,0,0,0,0|0,1,0]=3 106 B8R0.28 O=C(O)CCCN(C)C M10436635P [1,1,0,0,0,0|1,0,0]=3 107 B8R0.2 CC[C@@H](C)[C@H](N)C(O)=O M10031965P [1,1,0,0,0,0|0,0,0]=2 108 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O M10115315P [1,1,0,0,0,0|1,0,0]=3 109 B8R0.12 C=CC[C@@](C)(N)C(O)=O M10630880P [1,1,0,0,0,0|0,0,2]=4 110 B8R0.23 CC(C)CC(O)C(O)=O M10012348P [1,1,0,0,0,0|1,0,0]=3 111 B8R0.23 CC(C)C[C@H](O)C(O)=O M10126214P [1,1,0,0,0,0|1,0,0]=3 112 B8R0.23 O=C(O)[C@@H](N)CS(C)=O M10096739P [1,1,0,0,0,0|0,0,1]=3 113 B8R0.23 O=C([O-])CC(N)C(O)=O M10023113P [1,1,0,0,0,0|0,1,1]=4 114 B10R0.82 O=C(O)[C@@H](N)CC[C@@H](O)CN M12277882P [0,2,0,0,0,0|1,0,0]=3 115 B10R0.92 CP([O-])(CCC(N)C([O-])=O)=O M10466734P [0,2,0,0,0,0|1,0,1]=4 116 B10R0.92 O=C(O)[C@@H](N)CCS(=N)(C)=O M10139835P [0,2,0,0,0,0|0,0,1]=3 117 B10R0.19 CCCCC(Br)C(OCC)=O M10016197P [0,2,0,0,0,0|2,0,0]=4 118 B10R0.19 O=C(OCC)[C@@H](N)CCCN M10499010P [0,2,0,0,0,0|2,0,0]=4 119 B10R0.75 CCCCCCC(Br)C(O)=O M10186759P [0,2,0,0,0,0|2,0,0]=4 120 B10R0.98 N[C@@H](CSCC(O)=O)C(O)=O M10185445P [0,2,0,0,0,0|2,0,0]=4 121 B10R0.98 O=C(O)[C@@H](N)CSCC(O)=O M10252786P [0,2,0,0,0,0|2,0,0]=4 122 B8R1.5 O=C1C(C)CCCC1 M10014758P [1,0,0,1,0,0|2,0,0]=4 123 B8R1.5 O=C1C(Cl)CCCC1 M10021353P [1,0,0,1,0,0|2,0,0]=4 124 B8R1.5 O=C1C(N)CCCC1 M10098058P [1,0,0,1,0,0|1,0,0]=3 125 B8R1.5 O[C@@H]1[C@@H](N)CCCC1 M10123131P [1,0,0,1,0,0|1,0,1]=4 126 B8R1.5 O[C@H]1[C@@H](N)CCCC1 M10821370P [1,0,0,1,0,0|1,0,1]=4 127 B8R1.5 O[C@H]1[C@H](N)CCCC1 M10123132P [1,0,0,1,0,0|1,0,1]=4 128 B8R1.4 O=C1CN(C)CCC1 M10077248P [1,0,0,1,0,0|2,0,0]=4 129 B8R1.7 O=C(C1CNCC1)O M10088532P [1,0,0,1,0,0|1,0,0]=3 130 B8R1.7 O=C(C1CNCC1)O M10307067P [1,0,0,1,0,0|1,0,0]=3 131 B8R1.7 O=C([C@@H]1COCC1)O M10797101P [1,0,0,1,0,0|0,1,0]=3 132 B8R1.7 O=C([C@H]1COCC1)O M10421829P [1,0,0,1,0,0|0,1,0]=3 133 B8R1.23 O=C(C1CC(C)C1)O M10293834P [1,0,0,1,0,0|1,0,0]=3 134 B8R1.23 O=C(C1CC(Cl)C1)O M10226501P [1,0,0,1,0,0|2,0,0]=4 135 B8R1.23 O=C(C1CC(N1)=O)O M10633721P [1,0,0,1,0,0|0,1,1]=4 136 B8R1.23 O=C(C1CC(O)C1)O M10825846P [1,0,0,1,0,0|1,1,0]=4 137 B8R1.23 O=C(C1CN(C)C1)O M11014439P [1,0,0,1,0,0|2,0,0]=4 138 B8R1.23 O=C([C@H]1C[C@@H](O)C1)O M10893713P [1,0,0,1,0,0|1,1,0]=4 139 B8R1.23 O=C([C@H]1C[C@H](O)C1)O M11127122P [1,0,0,1,0,0|1,1,0]=4 140 B8R1.54 O=C(O)C(C1CC1)=O M10127074P [1,0,0,1,0,0|1,0,1]=4 141 B8R1.78 O=C(C1(N)CCC1)O M10174204P [1,0,0,1,0,0|0,0,0]=2 142 B8R1.78 O=C(C1(N)CCC1)O M10633940P [1,0,0,1,0,0|0,0,0]=2 143 B10R1.18 O=C(O)CC1CCNCC1 M10257318P [0,0,0,1,0,1|2,0,0]=4 144 B10R1.18 O=C(O)CC1CCNCC1 M10451389P [0,0,0,1,0,1|2,0,0]=4 145 B10R1.18 O=C(O)CC1NCCNC1 M10131974P [0,0,0,1,0,1|2,0,0]=4 146 B10R1.61 O=C(C1C(O)CCCC1)O M10015822P [0,0,0,1,0,1|2,0,0]=4 147 B10R1.13 O=C(C1CCC(N)CC1)O M10036114P [0,1,0,1,0,0|2,0,0]=4 148 B10R1.13 O=C(C1CCC(O)CC1)O M10149467P [0,1,0,1,0,0|2,0,0]=4 149 B10R1.13 O=C(C1CCN(C)CC1)O M10432345P [0,1,0,1,0,0|2,0,0]=4 150 B10R1.13 O=C([C@H]1CC[C@H](C)CC1)O M10120307P [0,1,0,1,0,0|2,0,0]=4 151 B10R1.13 O=C([C@H]1CC[C@H](F)CC1)O M10803086P [0,1,0,1,0,0|2,0,0]=4 152 B10R1.13 O=C([C@H]1CC[C@H](N)CC1)O M10056733P [0,1,0,1,0,0|2,0,0]=4 153 B10R1.13 O=C([C@H]1CC[C@H](N)CC1)O M10200307P [0,1,0,1,0,0|2,0,0]=4 154 B10R1.15 O=C(C1CCCCO1)OC M10496543P [0,1,0,1,0,0|2,0,0]=4 155 B10R1.15 O=C(C1CCNCC1)OC M10105873P [0,1,0,1,0,0|2,0,0]=4 156 B10R1.15 O=C(C1NCCCC1)OC M10217579P [0,1,0,1,0,0|1,0,0]=3 157 B10R1.15 O=C([C@@H]1NCCCC1)OC M11191820P [0,1,0,1,0,0|1,0,0]=3 158 B10R1.159 O=C([C@]1(N)[C@H](C=C)C1)OC M10847527P [0,1,0,1,0,0|1,0,1]=4 159 B10R1.411 O=C(C1(N)CCCC1)OC M10314044P [0,1,0,1,0,0|1,0,0]=3 160 B10R1.348 O=C(C1CCCCCC1)O M10031109P [0,1,0,1,0,0|2,0,0]=4 161 B10R1.348 O=C(C1NCCCCC1)O M10069811P [0,1,0,1,0,0|1,0,0]=3 162 B10R1.113 O=C(C1CN(C)CCC1)O M10163850P [0,1,0,1,0,0|2,0,0]=4 163 B10R1.113 O=C([C@@H]1NCC[C@@H](C)C1)O M10457687P [0,1,0,1,0,0|1,0,0]=3 164 B10R1.363 O=C(C1(N)CCNCC1)O M10244474P [0,1,0,1,0,0|1,0,0]=3 165 B10R1.363 O=C([C@]1(C)NCCCC1)O M10657068P [0,1,0,1,0,0|1,0,0]=3 166 B10R2.357 O=C([C@H]1N[C@@H]2C[C@@H]2C1)N M10942571P [0,0,0,2,0,0|2,0,0]=4 167 B10R2.357 O=C([C@H]1N[C@H]2C[C@H]2C1)N M10943489P [0,0,0,2,0,0|2,0,0]=4