0 B8R1.7 CC(C1SCCN1)=O M10425066P [0,0,0,0,0,0|2,0,0]=2 1 B8R1.7 CC([C@@H]1OCCC1)=O M10934991P [0,0,0,0,0,0|2,0,0]=2 2 B8R1.7 CC([C@H]1OCCC1)=O M10733047P [0,0,0,0,0,0|2,0,0]=2 3 B8R1.7 O=C(C1=COCC1)O M10633740P [0,0,0,0,0,0|2,0,1]=3 4 B8R1.7 O=C(C1CNCC1)O M10088532P [0,0,0,0,0,0|2,0,0]=2 5 B8R1.7 O=C(C1CNCC1)O M10307067P [0,0,0,0,0,0|2,0,0]=2 6 B8R1.7 O=C(N1SC=CN1)O M10410181P [0,0,0,0,0,0|2,0,2]=4 7 B8R1.7 O=C([C@@H]1COCC1)O M10797101P [0,0,0,0,0,0|2,0,0]=2 8 B8R1.7 O=C([C@@H]1NCC=C1)O M10302447P [0,0,0,0,0,0|0,0,2]=2 9 B8R1.7 O=C([C@@H]1NCCC1)N M10256539P [0,0,0,0,0,0|1,0,0]=1 10 B8R1.7 O=C([C@H]1COCC1)O M10421829P [0,0,0,0,0,0|2,0,0]=2 11 B8R1.7 OB(C1=CCCC1)O M10998831P [0,0,0,0,0,0|2,0,2]=4 12 B7R1.1 BrCC1CCCC1 M10057867P [1,0,0,0,0,0|2,0,1]=4 13 B7R1.1 Br[Mg]C1CCCC1 M10219729P [1,0,0,0,0,0|3,0,0]=4 14 B7R1.1 COC1CCCC1 M10078199P [1,0,0,0,0,0|3,0,0]=4 15 B7R1.1 Cl[Mg]C1CCCC1 M12276705P [1,0,0,0,0,0|3,0,0]=4 16 B7R1.1 N#C[C@H]1NCCC1 M10414859P [1,0,0,0,0,0|1,0,1]=3 17 B7R1.1 NCC1CCCC1 M10302882P [1,0,0,0,0,0|2,0,1]=4 18 B7R1.1 NCC1OCCC1 M10066380P [1,0,0,0,0,0|2,0,1]=4 19 B7R1.1 NC[C@@H]1OCCC1 M10102346P [1,0,0,0,0,0|2,0,1]=4 20 B7R1.1 NC[C@H]1OCCC1 M10102169P [1,0,0,0,0,0|2,0,1]=4 21 B7R1.1 O=CC1OCCC1 M10109701P [1,0,0,0,0,0|1,0,0]=2 22 B7R1.1 OCC1COCC1 M10138830P [1,0,0,0,0,0|2,0,1]=4 23 B7R1.1 OCC1OCCO1 M10079280P [1,0,0,0,0,0|2,0,1]=4 24 B7R1.1 OC[C@@H]1CNCC1 M10673087P [1,0,0,0,0,0|2,0,1]=4 25 B7R1.1 OC[C@H]1CNCC1 M10673086P [1,0,0,0,0,0|2,0,1]=4 26 B9R1.11 ClCC(N1CCCC1)=O M10165063P [0,1,0,0,0,0|3,0,0]=4 27 B9R1.11 O=C(C1=CCCC1)OC M10190686P [0,1,0,0,0,0|1,0,1]=3 28 B9R1.11 O=C(C1CNCC1)OC M10828155P [0,1,0,0,0,0|2,0,0]=3 29 B9R1.11 O=C(C1OCCC1)OC M10233304P [0,1,0,0,0,0|1,0,0]=2 30 B9R1.35 N[C@@H]1C=C[C@H](C(O)=O)C1 M10732338P [0,1,0,0,0,0|1,0,1]=3 31 B9R1.35 N[C@H]1C=C[C@@H](C(O)=O)C1 M10732337P [0,1,0,0,0,0|1,0,1]=3 32 B9R1.35 N[C@H]1C=C[C@@H](C(O)=O)C1 M10737963P [0,1,0,0,0,0|1,0,1]=3 33 B9R1.35 O=C(C1CC(CC1)=O)O M10002671P [0,1,0,0,0,0|1,0,1]=3 34 B9R1.35 O=C(C1CN(C)CC1)O M10190927P [0,1,0,0,0,0|2,0,0]=3 35 B9R1.35 O=C(C1CN(C)CC1)O M10254714P [0,1,0,0,0,0|2,0,0]=3 36 B9R1.35 O=C([C@@H]1CCC(O1)=O)O M10170449P [0,1,0,0,0,0|1,0,1]=3 37 B9R1.35 O=C([C@@H]1NC[C@@H](O)C1)O M10758337P [0,1,0,0,0,0|0,0,0]=1 38 B9R1.35 O=C([C@@H]1NC[C@H](O)C1)O M10467856P [0,1,0,0,0,0|0,0,0]=1 39 B9R1.35 O=C([C@H]1CCC(O1)=O)O M10271394P [0,1,0,0,0,0|1,0,1]=3 40 B9R1.35 O=C([C@H]1N=C(N)SC1)O M10145903P [0,1,0,0,0,0|1,0,2]=4 41 B9R1.41 O=C([C@H]1N(C)CCC1)O M10011652P [0,1,0,0,0,0|0,0,0]=1 42 B9R1.163 O=C([C@@]1(C)NCCC1)O M10249798P [0,1,0,0,0,0|0,0,0]=1 43 B9R1.163 O=C([C@]1(C)NCCC1)O M10392222P [0,1,0,0,0,0|0,0,0]=1 44 B7R0.4 CC(CCCCBr)=O M10113189P [0,0,1,0,0,0|2,0,0]=3 45 B7R0.4 CC(O)CNCCN M10004602P [0,0,1,0,0,0|2,0,1]=4 46 B7R0.4 CCCCCB(O)O M10065828P [0,0,1,0,0,0|2,0,1]=4 47 B7R0.4 CCCCCC(Cl)=O M10005436P [0,0,1,0,0,0|2,0,0]=3 48 B7R0.4 O=C(Cl)OCCCCl M10016962P [0,0,1,0,0,0|3,0,0]=4 49 B7R0.4 O=C(N)COCCCl M10232141P [0,0,1,0,0,0|3,0,0]=4 50 B7R0.4 O=C(N)NCCCC M10195780P [0,0,1,0,0,0|3,0,0]=4 51 B7R0.4 O=C(N)NCCCC M10200467P [0,0,1,0,0,0|3,0,0]=4 52 B7R0.4 O=C(O)CCCC#N M10239045P [0,0,1,0,0,0|0,0,2]=3 53 B7R0.4 O=C(O)CCCCO M10123275P [0,0,1,0,0,0|1,0,0]=2 54 B7R0.4 O=C(O)CCOCC M10062024P [0,0,1,0,0,0|2,0,0]=3 55 B7R0.4 O=C(O)CNCCN M10183221P [0,0,1,0,0,0|1,0,0]=2 56 B7R0.4 O=C(O)COCCC M10276951P [0,0,1,0,0,0|1,0,0]=2 57 B7R0.4 O=C([O-])CCCCO M10233260P [0,0,1,0,0,0|1,0,1]=3 58 B7R0.5 C#CC[C@H](N)C(O)=O M10179000P [0,0,1,0,0,0|0,0,2]=3 59 B7R0.5 C=CC[C@@H](N)C(O)=O M10668722P [0,0,1,0,0,0|0,0,2]=3 60 B7R0.5 C=CC[C@H](N)C(O)=O M10826425P [0,0,1,0,0,0|0,0,2]=3 61 B7R0.5 CC(C(CCC)=O)=O M10058081P [0,0,1,0,0,0|2,0,1]=4 62 B7R0.5 CCCC(Br)C(O)=O M10014810P [0,0,1,0,0,0|1,0,0]=2 63 B7R0.5 CCCC(C)C(O)=O M10209692P [0,0,1,0,0,0|1,0,0]=2 64 B7R0.5 CC\C=C(C)\C(O)=O M10051561P [0,0,1,0,0,0|1,0,1]=3 65 B7R0.5 O=C(O)C(Cl)COC M10045189P [0,0,1,0,0,0|2,0,0]=3 66 B7R0.5 O=C(O)C(F)CCN M10193859P [0,0,1,0,0,0|2,0,0]=3 67 B7R0.5 O=C(O)C(N)CCN M10024859P [0,0,1,0,0,0|1,0,0]=2 68 B7R0.5 O=C(O)C(OCC)=O M10016281P [0,0,1,0,0,0|2,0,1]=4 69 B7R0.5 O=C(O)[C@@H](N)COC M10217767P [0,0,1,0,0,0|1,0,0]=2 70 B7R0.5 O=C(O)[C@@H](N)COC M10861260P [0,0,1,0,0,0|1,0,0]=2 71 B7R0.5 O=C(O)[C@H](N)COC M10505436P [0,0,1,0,0,0|1,0,0]=2 72 B7R0.5 O=C(O)[C@H](N)COC M10505437P [0,0,1,0,0,0|1,0,0]=2 73 B7R0.15 CC(N(CC)CC)=O M10018363P [0,0,1,0,0,0|3,0,0]=4 74 B7R0.15 O=C(O)C(CBr)CBr M10245960P [0,0,1,0,0,0|3,0,0]=4 75 B7R1.18 N=C(C1CCC1)N M10444128P [0,0,0,0,1,0|2,0,0]=3 76 B7R1.18 O=C(C1NCC1)O M10164146P [0,0,0,0,1,0|0,0,0]=1 77 B7R1.18 O=C(C1OCC1)O M10006194P [0,0,0,0,1,0|1,0,0]=2 78 B7R1.18 O=C([C@@H]1NCC1)O M10110131P [0,0,0,0,1,0|0,0,0]=1 79 B7R1.18 O=C([C@H]1NCC1)O M10875068P [0,0,0,0,1,0|0,0,0]=1 80 B7R1.18 OB(C1CCC1)O M10997879P [0,0,0,0,1,0|1,0,1]=3 81 B9R1.6 CC(C1CCCCC1)=O M10021388P [0,0,0,0,0,1|2,0,0]=3 82 B9R1.6 CC(C1CCOCC1)=O M10742643P [0,0,0,0,0,1|2,0,0]=3 83 B9R1.6 N=C(C1CCNCC1)N M11106217P [0,0,0,0,0,1|3,0,0]=4 84 B9R1.6 O=C(C1=CCCCC1)O M10017285P [0,0,0,0,0,1|1,0,1]=3 85 B9R1.6 O=C(C1=CCCCO1)O M10214169P [0,0,0,0,0,1|1,0,1]=3 86 B9R1.6 O=C(C1CCCCC1)O M10002681P [0,0,0,0,0,1|1,0,0]=2 87 B9R1.6 O=C(C1CCCCC1)[O-] M10005124P [0,0,0,0,0,1|1,0,1]=3 88 B9R1.6 O=C(C1CCCCO1)O M10261099P [0,0,0,0,0,1|1,0,0]=2 89 B9R1.6 O=C(C1CCOCC1)O M10071426P [0,0,0,0,0,1|1,0,0]=2 90 B9R1.6 O=C(C1COCCC1)O M10012480P [0,0,0,0,0,1|1,0,0]=2 91 B9R1.6 O=C(C1NCCNC1)O M10047414P [0,0,0,0,0,1|0,0,0]=1 92 B9R1.6 O=C(C1NCCSC1)O M10168222P [0,0,0,0,0,1|0,0,0]=1 93 B9R1.6 O=C(Cl)C1CCOCC1 M10241966P [0,0,0,0,0,1|2,0,0]=3 94 B9R1.6 O=C([C@@H]1NCCNC1)O M10723219P [0,0,0,0,0,1|0,0,0]=1 95 B9R1.6 O=C([C@H]1CNCCC1)O M11020814P [0,0,0,0,0,1|0,0,0]=1 96 B9R1.13 CC(N[C@@H]1CNCC1)=O M10695408P [0,0,0,0,0,1|3,0,0]=4 97 B9R1.13 O=C(O)CC1COCC1 M10746626P [0,0,0,0,0,1|2,0,0]=3 98 B9R1.13 O=C(O)CC1OCCC1 M10043869P [0,0,0,0,0,1|1,0,0]=2 99 B9R1.13 O=C(O)C[C@@H]1NCCC1 M10330790P [0,0,0,0,0,1|0,0,0]=1 100 B9R1.13 O=C(O)C[C@@H]1NCCC1 M10879019P [0,0,0,0,0,1|0,0,0]=1 101 B9R1.13 O=C(O)C[C@H]1CNCC1 M10715094P [0,0,0,0,0,1|2,0,0]=3 102 B6R0.4 C#CCCC(O)=O M10083651P [1,0,1,0,0,0|0,0,2]=4 103 B6R0.4 CC(CCCBr)=O M10058337P [1,0,1,0,0,0|2,0,0]=4 104 B6R0.4 CC(NCCO)=O M10005418P [1,0,1,0,0,0|2,0,0]=4 105 B6R0.4 CC\C=C\C(O)=O M10016889P [1,0,1,0,0,0|0,0,2]=4 106 B6R0.4 O=C(Cl)CCCBr M10023246P [1,0,1,0,0,0|2,0,0]=4 107 B6R0.4 O=C(N)NCCO M10039744P [1,0,1,0,0,0|2,0,0]=4 108 B6R0.4 O=C(O)CCC#N M10140304P [1,0,1,0,0,0|0,0,2]=4 109 B6R0.4 O=C(O)CCCCl M10016891P [1,0,1,0,0,0|1,0,0]=3 110 B6R0.4 O=C(O)CCOC M10045190P [1,0,1,0,0,0|1,0,0]=3 111 B6R0.4 O=C(O)CCSC M10017612P [1,0,1,0,0,0|1,0,0]=3 112 B6R0.4 O=C(O)COCC M10016894P [1,0,1,0,0,0|1,0,0]=3 113 B6R0.4 O=C([O-])CNCO M10437440P [1,0,1,0,0,0|1,0,1]=4 114 B6R0.4 O=[Sn](CCCC)O M10042008P [1,0,1,0,0,0|1,0,0]=3 115 B6R0.4 S=C(N)NCCC M10023251P [1,0,1,0,0,0|1,1,0]=4 116 B6R0.6 C=CCCCCCl M10208182P [1,0,1,0,0,0|2,0,0]=4 117 B6R0.6 NCCCCCN M10031362P [1,0,1,0,0,0|1,0,1]=4 118 B6R0.1 C=CC(O)CCC M10066392P [1,0,1,0,0,0|2,0,0]=4 119 B6R0.1 CCCC(C)C=O M10004549P [1,0,1,0,0,0|1,0,0]=3 120 B6R0.1 CCC[C@H](N)CO M10176483P [1,0,1,0,0,0|0,0,1]=3 121 B6R0.3 CC(C(S)CC)=O M10426560P [1,0,1,0,0,0|2,0,0]=4 122 B6R0.3 CC(NC)C(O)=O M10015418P [1,0,1,0,0,0|0,0,0]=2 123 B6R0.3 CC(OC)C(O)=O M10062023P [1,0,1,0,0,0|1,0,0]=3 124 B6R0.3 CCC(B(O)O)C M10538835P [1,0,1,0,0,0|1,0,1]=4 125 B6R0.3 CCC(Br)C(Br)=O M10192304P [1,0,1,0,0,0|2,0,0]=4 126 B6R0.3 CCC(C(O)=O)=C M10055842P [1,0,1,0,0,0|0,0,2]=4 127 B6R0.3 C[C@@H](NC)C(O)=O M10206333P [1,0,1,0,0,0|0,0,0]=2 128 B6R0.3 C\C(C(O)=O)=C\C M10014266P [1,0,1,0,0,0|0,0,2]=4 129 B6R0.3 N[C@@H](CS)C(O)=O M10201100P [1,0,1,0,0,0|1,0,0]=3 130 B6R0.3 N[C@H](CS)C(O)=O M10832565P [1,0,1,0,0,0|1,0,0]=3 131 B6R0.3 O=C(O)C(N)CS M10631134P [1,0,1,0,0,0|1,0,0]=3 132 B6R0.3 O=C(O)C(O)CCl M10035208P [1,0,1,0,0,0|2,0,0]=4 133 B6R0.3 O=C(O)[C@@H](N)CCl M10187309P [1,0,1,0,0,0|1,0,0]=3 134 B6R0.9 CCC(CC)C=O M10002597P [1,0,1,0,0,0|1,0,0]=3 135 B6R0.9 O=CN(CC)CC M10016308P [1,0,1,0,0,0|2,0,0]=4 136 B6R1.2 C[C@H]1NCCC1 M10246674P [2,0,0,0,0,0|0,0,1]=3 137 B6R1.2 O=C1NCNC1 M10035055P [2,0,0,0,0,0|1,0,1]=4 138 B6R1.2 O=C1NCNC1 M10140916P [2,0,0,0,0,0|1,0,1]=4 139 B6R1.2 O=C1SCCN1 M10046694P [2,0,0,0,0,0|1,0,1]=4 140 B6R1.2 O[C@H]1COCC1 M10505325P [2,0,0,0,0,0|2,0,0]=4 141 B8R0.6 O=C(OC)CCCCCl M10129961P [0,1,1,0,0,0|1,0,0]=3 142 B8R0.6 O=C(OCCCC)CO M10104696P [0,1,1,0,0,0|2,0,0]=4 143 B8R0.7 BrCCCCOC(C)=O M10065998P [0,1,1,0,0,0|2,0,0]=4 144 B8R0.7 C#CCCCCC(O)=O M10212111P [0,1,1,0,0,0|1,0,0]=3 145 B8R0.7 C=CCCCCC(O)=O M10027121P [0,1,1,0,0,0|1,0,0]=3 146 B8R0.7 CCCC\C=C\C(O)=O M10158440P [0,1,1,0,0,0|1,0,1]=4 147 B8R0.7 O=C(Cl)CCCCCBr M10176911P [0,1,1,0,0,0|2,0,0]=4 148 B8R0.7 O=C(Cl)OCCCCC M10017366P [0,1,1,0,0,0|2,0,0]=4 149 B8R0.7 O=C(O)CCCCCN M10196151P [0,1,1,0,0,0|0,0,0]=2 150 B8R0.7 O=C(O)COCCCC M10044886P [0,1,1,0,0,0|1,0,0]=3 151 B8R0.7 O=C(O)COCCOC M10140131P [0,1,1,0,0,0|1,0,0]=3 152 B8R0.8 O=C(O)C(Br)CCCBr M10030963P [0,1,1,0,0,0|1,0,0]=3 153 B8R0.8 O=C(O)C(O)CCSC M10014771P [0,1,1,0,0,0|2,0,0]=4 154 B8R0.8 O=C(O)[C@@H](N)CCCN M10000749P [0,1,1,0,0,0|0,0,0]=2 155 B8R0.8 O=C(O)[C@@H](N)CCCN M10312953P [0,1,1,0,0,0|0,0,0]=2 156 B8R0.9 O=C(O)CCC(CN)=O M10003359P [0,1,1,0,0,0|0,0,1]=3 157 B8R0.28 O=C(N)CCCC(N)=O M10036487P [0,1,1,0,0,0|1,0,1]=4 158 B8R0.28 O=C(O)CCCN(C)C M10436635P [0,1,1,0,0,0|2,0,0]=4 159 B8R0.28 [NH2+]=C(N)SCCC(O)=O M10073898P [0,1,1,0,0,0|1,0,1]=4 160 B8R0.2 CC[C@@H](C)[C@H](N)C(O)=O M10031965P [0,1,1,0,0,0|0,0,0]=2 161 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O M10115315P [0,1,1,0,0,0|1,0,0]=3 162 B8R0.3 CCCC(Br)C(OC)=O M10159141P [0,1,1,0,0,0|1,0,0]=3 163 B8R0.3 CCC[C@H](N)C(OC)=O M10289219P [0,1,1,0,0,0|0,0,0]=2 164 B8R0.3 O=C(OC)C(Br)CCBr M10437848P [0,1,1,0,0,0|2,0,0]=4 165 B8R0.12 C=CC[C@@](C)(N)C(O)=O M10630880P [0,1,1,0,0,0|0,0,2]=4 166 B8R0.23 CC(C)CC(O)C(O)=O M10012348P [0,1,1,0,0,0|1,0,0]=3 167 B8R0.23 CC(C)C[C@H](O)C(O)=O M10126214P [0,1,1,0,0,0|1,0,0]=3 168 B8R0.23 O=C(O)[C@@H](N)CS(C)=O M10096739P [0,1,1,0,0,0|1,0,0]=3 169 B8R0.23 O=C([O-])CC(N)C(O)=O M10023113P [0,1,1,0,0,0|1,0,1]=4 170 B8R0.18 O=C(C)C(CC)C([O-])=O M10207310P [0,1,1,0,0,0|1,0,1]=4 171 B8R0.36 CCC(C)(CC)C(O)=O M10163207P [0,1,1,0,0,0|1,0,0]=3 172 B8R1.1 O=C1N[C@@H](CO)CC1 M10421051P [1,1,0,0,0,0|0,0,2]=4 173 B8R1.1 O=C1N[C@H](CO)CC1 M10148902P [1,1,0,0,0,0|0,0,2]=4 174 B8R1.8 O=C=NC1CCCC1 M10065943P [1,1,0,0,0,0|1,0,1]=4 175 B8R1.11 OC[C@@H]1N(C)CCC1 M10637872P [1,1,0,0,0,0|0,0,1]=3 176 B8R1.23 CC(N1CC(N)C1)=O M10103229P [0,1,0,0,1,0|2,0,0]=4 177 B8R1.23 O=C(C1CC(C)C1)O M10293834P [0,1,0,0,1,0|0,0,0]=2 178 B8R1.23 O=C(C1CC(Cl)C1)O M10226501P [0,1,0,0,1,0|0,0,0]=2 179 B8R1.23 O=C(C1CC(N1)=O)O M10633721P [0,1,0,0,1,0|0,0,1]=3 180 B8R1.23 O=C(C1CC(O)C1)O M10825846P [0,1,0,0,1,0|0,0,0]=2 181 B8R1.23 O=C(C1CN(C)C1)O M11014439P [0,1,0,0,1,0|1,0,0]=3 182 B8R1.23 O=C([C@H]1C[C@@H](O)C1)O M10893713P [0,1,0,0,1,0|0,0,0]=2 183 B8R1.23 O=C([C@H]1C[C@H](O)C1)O M11127122P [0,1,0,0,1,0|0,0,0]=2 184 B8R1.38 O=C(C1CCC1)NC M10122966P [0,1,0,0,1,0|1,0,0]=3 185 B8R1.38 O=C(C1CCC1)OC M10020178P [0,1,0,0,1,0|0,0,0]=2 186 B8R1.38 O=C(C1NCC1)OC M10199118P [0,1,0,0,1,0|0,0,0]=2 187 B8R1.38 O=C([C@H]1NCC1)OC M10435419P [0,1,0,0,1,0|0,0,0]=2 188 B8R1.78 CC(C1(C)COC1)=O M11140046P [0,1,0,0,1,0|2,0,0]=4 189 B8R1.78 O=C(C1(N)CCC1)O M10174204P [0,1,0,0,1,0|0,0,0]=2 190 B8R1.78 O=C(C1(N)CCC1)O M10633940P [0,1,0,0,1,0|0,0,0]=2 191 B10R1.13 CC(C1CCN(C)CC1)=O M10167003P [0,1,0,0,0,1|2,0,0]=4 192 B10R1.13 O=C(C1CCC(N)CC1)O M10036114P [0,1,0,0,0,1|1,0,0]=3 193 B10R1.13 O=C(C1CCC(O)CC1)O M10149467P [0,1,0,0,0,1|1,0,0]=3 194 B10R1.13 O=C(C1CCN(C)CC1)O M10432345P [0,1,0,0,0,1|1,0,0]=3 195 B10R1.13 O=C([C@H]1CC[C@H](C)CC1)O M10120307P [0,1,0,0,0,1|1,0,0]=3 196 B10R1.13 O=C([C@H]1CC[C@H](F)CC1)O M10803086P [0,1,0,0,0,1|1,0,0]=3 197 B10R1.13 O=C([C@H]1CC[C@H](N)CC1)O M10056733P [0,1,0,0,0,1|1,0,0]=3 198 B10R1.13 O=C([C@H]1CC[C@H](N)CC1)O M10200307P [0,1,0,0,0,1|1,0,0]=3 199 B10R1.15 O=C(C1=CCCCO1)OC M10728961P [0,1,0,0,0,1|1,0,1]=4 200 B10R1.15 O=C(C1=CCOCC1)OC M10660081P [0,1,0,0,0,1|1,0,1]=4 201 B10R1.15 O=C(C1CC=CCC1)OC M10092649P [0,1,0,0,0,1|1,0,1]=4 202 B10R1.15 O=C(C1CCCCO1)OC M10496543P [0,1,0,0,0,1|1,0,0]=3 203 B10R1.15 O=C(C1CCNCC1)OC M10105873P [0,1,0,0,0,1|1,0,0]=3 204 B10R1.15 O=C(C1CNCCC1)OC M10585818P [0,1,0,0,0,1|0,0,0]=2 205 B10R1.15 O=C(C1COCCC1)OC M10157007P [0,1,0,0,0,1|1,0,0]=3 206 B10R1.15 O=C(C1NCCCC1)OC M10217579P [0,1,0,0,0,1|0,0,0]=2 207 B10R1.15 O=C(N1CCNCC1)OC M10254909P [0,1,0,0,0,1|2,0,0]=4 208 B10R1.15 O=C([C@@H]1NCCCC1)OC M11191820P [0,1,0,0,0,1|0,0,0]=2 209 B10R1.15 O=C([C@H]1CNCCC1)OC M10793660P [0,1,0,0,0,1|0,0,0]=2 210 B10R1.61 O=C(C1C(O)CCCC1)O M10015822P [0,1,0,0,0,1|1,0,0]=3 211 B10R1.61 O=C([C@@H]1N(C)CCCC1)O M10245935P [0,1,0,0,0,1|0,0,0]=2 212 B10R1.61 O=C1C(C(C)=O)CCCC1 M10022320P [0,1,0,0,0,1|2,0,0]=4 213 B10R1.113 O=C(C1CC(NCC1)=O)O M10185359P [0,1,0,0,0,1|1,0,1]=4 214 B10R1.113 O=C(C1CN(C)CCC1)O M10163850P [0,1,0,0,0,1|0,0,0]=2 215 B10R1.113 O=C([C@@H]1NCC[C@@H](C)C1)O M10457687P [0,1,0,0,0,1|0,0,0]=2 216 B10R1.363 CC1(C(C)=O)CCCCC1 M10048720P [0,1,0,0,0,1|2,0,0]=4 217 B10R1.363 O=C(C1(N)CCNCC1)O M10244474P [0,1,0,0,0,1|1,0,0]=3 218 B10R1.363 O=C([C@]1(C)NCCCC1)O M10657068P [0,1,0,0,0,1|0,0,0]=2 219 B10R1.27 O=C(OC)C[C@H]1NCCC1 M10847729P [0,1,0,0,0,1|0,0,0]=2 220 B10R1.64 O=C(O)CN1C(CCC1)=O M10273605P [0,1,0,0,0,1|2,0,0]=4 221 B10R1.11 O=C(C1OCCC1)OCC M10145708P [0,2,0,0,0,0|1,0,0]=3 222 B10R1.11 O=C(OCC)[C@@H]1NCCC1 M10733320P [0,2,0,0,0,0|0,0,0]=2 223 B10R1.11 O=C([C@H]1NCSC1)OCC M10505154P [0,2,0,0,0,0|1,0,0]=3 224 B10R1.14 O=C(C1CC(CC1)=O)OC M10218340P [0,2,0,0,0,0|1,0,1]=4 225 B10R1.14 O=C(C1CC(N)CC1)OC M10142186P [0,2,0,0,0,0|1,0,0]=3 226 B10R1.14 O=C([C@@H]1NC[C@H](O)C1)OC M10695627P [0,2,0,0,0,0|0,0,0]=2 227 B10R1.14 O=C([C@H]1NC[C@@H](O)C1)OC M10241709P [0,2,0,0,0,0|0,0,0]=2 228 B10R1.149 O=C(C1C(CCS1)=O)OC M10046762P [0,2,0,0,0,0|1,0,1]=4 229 B10R1.149 O=C(C1C(O)CCC1)OC M10590550P [0,2,0,0,0,0|1,0,0]=3 230 B10R1.411 O=C(C1(N)CCCC1)OC M10314044P [0,2,0,0,0,0|1,0,0]=3 231 B10R1.359 O=C(C1CC(F)(F)CC1)O M10176932P [0,2,0,0,0,0|1,0,0]=3 232 B10R1.359 O=C(C1CCS(C1)(=O)=O)O M10066268P [0,2,0,0,0,0|2,0,0]=4 233 B10R1.128 C[N+]1(C)[C@H](C(O)=O)CCC1 M11191474P [0,2,0,0,0,0|0,0,1]=3 234 B10R1.128 O=C([C@H]1[N+](C)(C)CCC1)[O-] M10011571P [0,2,0,0,0,0|0,0,2]=4 235 B8R1.4 CC1OC(C)CNC1 M10005400P [0,0,1,1,0,0|1,0,1]=4 236 B8R1.4 OC1CC(N)CCC1 M10096701P [0,0,1,1,0,0|1,0,1]=4 237 B8R1.4 O[C@H]1C[C@@H](N)CCC1 M10099944P [0,0,1,1,0,0|1,0,1]=4 238 B8R1.5 O=C1C(C)CCCC1 M10014758P [0,0,1,1,0,0|2,0,0]=4 239 B8R1.5 O=C1C(Cl)CCCC1 M10021353P [0,0,1,1,0,0|2,0,0]=4 240 B8R1.5 O=C1C(N)CCCC1 M10098058P [0,0,1,1,0,0|1,0,0]=3 241 B8R1.5 O[C@@H]1[C@@H](N)CCCC1 M10123131P [0,0,1,1,0,0|1,0,1]=4 242 B8R1.5 O[C@H]1[C@@H](N)CCCC1 M10821370P [0,0,1,1,0,0|1,0,1]=4 243 B8R1.5 O[C@H]1[C@H](N)CCCC1 M10123132P [0,0,1,1,0,0|1,0,1]=4 244 B8R1.54 O=C(O)C(C1CC1)=O M10127074P [0,0,1,1,0,0|1,0,1]=4 245 B8R1.63 O=C(C1(C#N)CC1)O M10097174P [0,0,1,1,0,0|2,0,0]=4 246 B8R2.34 C12CC(C=C1)CC2 M10012355P [1,0,0,1,0,0|2,0,0]=4 247 B8R2.34 [C@@H]12C[C@@H](CN1)NC2 M10735543P [1,0,0,1,0,0|1,0,1]=4 248 B10R2.357 O=C([C@H]1N[C@@H]2C[C@@H]2C1)N M10942571P [0,0,0,1,0,1|1,0,0]=3 249 B10R2.357 O=C([C@H]1N[C@H]2C[C@H]2C1)N M10943489P [0,0,0,1,0,1|1,0,0]=3 250 B10R2.2 O=C1C[C@H]2C=CC[C@H]2O1 M10276880P [0,0,0,1,0,1|1,0,1]=4 251 B10R2.2 O=C1O[C@@H]2CC=C[C@@H]2C1 M10226870P [0,0,0,1,0,1|1,0,1]=4 252 B10R2.71 OC1CC2NC(CC2)C1 M10149090P [0,0,0,1,0,1|1,0,1]=4 253 B6R1.6 N#CC1CCC1 M10063091P [1,0,0,0,1,0|1,0,1]=4 254 B6R1.6 NNC1CCC1 M11104847P [1,0,0,0,1,0|2,0,0]=4 255 B6R1.6 O=CC1CCC1 M10049905P [1,0,0,0,1,0|0,0,0]=2 256 B6R1.6 O=CC1COC1 M10128905P [1,0,0,0,1,0|1,0,0]=3 257 B6R1.6 OCC1CNC1 M10627648P [1,0,0,0,1,0|1,0,1]=4 258 B6R1.6 OCC1COC1 M10085394P [1,0,0,0,1,0|1,0,1]=4 259 B6R1.6 OC[C@H]1NCC1 M10655012P [1,0,0,0,1,0|0,0,1]=3 260 B8R1.2 C#CC1CNCCC1 M10090509P [1,0,0,0,0,1|1,0,1]=4 261 B8R1.2 CC[C@@H]1NCCNC1 M10727594P [1,0,0,0,0,1|1,0,1]=4 262 B8R1.2 CNC1CNCCC1 M10775656P [1,0,0,0,0,1|2,0,0]=4 263 B8R1.2 O=CC1COCCC1 M10467369P [1,0,0,0,0,1|1,0,0]=3 264 B8R1.2 OCC1CCCCO1 M10002840P [1,0,0,0,0,1|1,0,1]=4 265 B8R1.2 OCC1CNCCO1 M10649725P [1,0,0,0,0,1|1,0,1]=4 266 B8R1.2 OC[C@@H]1CNCCO1 M10129691P [1,0,0,0,0,1|1,0,1]=4 267 B8R1.2 OC[C@H]1CNCCO1 M10784747P [1,0,0,0,0,1|1,0,1]=4 268 B8R1.2 ONC1CCCCC1 M10041269P [1,0,0,0,0,1|2,0,0]=4 269 B8R1.2 ONC1CCCCC1 M10187793P [1,0,0,0,0,1|2,0,0]=4 270 B10R1.18 CC(CC1CCCCC1)=O M10003101P [0,0,0,0,0,2|2,0,0]=4 271 B10R1.18 O=C(N)NC1CCCCC1 M10018809P [0,0,0,0,0,2|2,0,0]=4 272 B10R1.18 O=C(O)CC1CCNCC1 M10257318P [0,0,0,0,0,2|1,0,0]=3 273 B10R1.18 O=C(O)CC1CCNCC1 M10451389P [0,0,0,0,0,2|1,0,0]=3 274 B10R1.18 O=C(O)CC1CNCCC1 M10445395P [0,0,0,0,0,2|0,0,0]=2 275 B10R1.18 O=C(O)CC1NCCNC1 M10131974P [0,0,0,0,0,2|0,0,0]=2 276 B10R1.18 O=C(O)CN1CCOCC1 M10052534P [0,0,0,0,0,2|2,0,0]=4 277 B10R1.18 O=C(O)CN1CCOCC1 M10573512P [0,0,0,0,0,2|2,0,0]=4 278 B10R1.348 O=C(C1CCCCCC1)O M10031109P [0,0,0,0,0,2|1,0,0]=3 279 B10R1.348 O=C(C1NCCCCC1)O M10069811P [0,0,0,0,0,2|0,0,0]=2