0 B9R1.6 CC(C1CCCCC1)=O M10021388P [0,0,0,0,0,0|1,0,0]=1 1 B9R1.6 CC(C1CCOCC1)=O M10742643P [0,0,0,0,0,0|2,0,0]=2 2 B9R1.6 N=C(C1CCNCC1)N M11106217P [0,0,0,0,0,0|3,0,0]=3 3 B9R1.6 O=C(C1=CCCCC1)O M10017285P [0,0,0,0,0,0|0,0,2]=2 4 B9R1.6 O=C(C1=CCCCO1)O M10214169P [0,0,0,0,0,0|1,0,2]=3 5 B9R1.6 O=C(C1CCCCC1)O M10002681P [0,0,0,0,0,0|0,0,0]=0 6 B9R1.6 O=C(C1CCCCC1)[O-] M10005124P [0,0,0,0,0,0|0,0,1]=1 7 B9R1.6 O=C(C1CCCCO1)O M10261099P [0,0,0,0,0,0|1,0,0]=1 8 B9R1.6 O=C(C1CCOCC1)O M10071426P [0,0,0,0,0,0|1,0,0]=1 9 B9R1.6 O=C(C1COCCC1)O M10012480P [0,0,0,0,0,0|1,0,0]=1 10 B9R1.6 O=C(C1NCCNC1)O M10047414P [0,0,0,0,0,0|2,0,0]=2 11 B9R1.6 O=C(C1NCCSC1)O M10168222P [0,0,0,0,0,0|2,0,0]=2 12 B9R1.6 O=C(Cl)C1CCOCC1 M10241966P [0,0,0,0,0,0|2,0,0]=2 13 B9R1.6 O=C([C@@H]1NCCNC1)O M10723219P [0,0,0,0,0,0|2,0,0]=2 14 B9R1.6 O=C([C@H]1CNCCC1)O M11020814P [0,0,0,0,0,0|1,0,0]=1 15 B8R1.2 BrCC1CCNCC1 M10435546P [1,0,0,0,0,0|2,0,1]=4 16 B8R1.2 Br[Mg]C1CCCCC1 M10023423P [1,0,0,0,0,0|2,0,0]=3 17 B8R1.2 C#CC1CNCCC1 M10090509P [1,0,0,0,0,0|2,0,1]=4 18 B8R1.2 C=CC1CC=CCC1 M10002808P [1,0,0,0,0,0|1,0,2]=4 19 B8R1.2 CCC1CCCCC1 M10034651P [1,0,0,0,0,0|1,0,1]=3 20 B8R1.2 CCN1CCCCC1 M10020192P [1,0,0,0,0,0|2,0,1]=4 21 B8R1.2 CNC1CCOCC1 M10839299P [1,0,0,0,0,0|3,0,0]=4 22 B8R1.2 CNC1CNCCC1 M10775656P [1,0,0,0,0,0|3,0,0]=4 23 B8R1.2 COC1CCNCC1 M10059549P [1,0,0,0,0,0|3,0,0]=4 24 B8R1.2 COC1CCNCC1 M10059550P [1,0,0,0,0,0|3,0,0]=4 25 B8R1.2 Cl[Mg]C1CCCCC1 M10023424P [1,0,0,0,0,0|2,0,0]=3 26 B8R1.2 ICC1CCOCC1 M10644856P [1,0,0,0,0,0|2,0,1]=4 27 B8R1.2 N#CC1CCCCC1 M10020188P [1,0,0,0,0,0|1,0,1]=3 28 B8R1.2 N#CC1CCNCC1 M10843495P [1,0,0,0,0,0|2,0,1]=4 29 B8R1.2 N#CC1CCOCC1 M10061773P [1,0,0,0,0,0|2,0,1]=4 30 B8R1.2 NCC1CCCCC1 M10052360P [1,0,0,0,0,0|1,0,1]=3 31 B8R1.2 NCC1CCOCC1 M10871026P [1,0,0,0,0,0|2,0,1]=4 32 B8R1.2 O=CC1COCCC1 M10467369P [1,0,0,0,0,0|1,0,0]=2 33 B8R1.2 OCC1CC=CCC1 M10034671P [1,0,0,0,0,0|0,0,3]=4 34 B8R1.2 OCC1CCCCO1 M10002840P [1,0,0,0,0,0|1,0,1]=3 35 B8R1.2 OCC1CNCCO1 M10649725P [1,0,0,0,0,0|2,0,1]=4 36 B8R1.2 OC[C@@H]1CNCCO1 M10129691P [1,0,0,0,0,0|2,0,1]=4 37 B8R1.2 OC[C@H]1CNCCO1 M10784747P [1,0,0,0,0,0|2,0,1]=4 38 B8R1.2 ONC1CCCCC1 M10041269P [1,0,0,0,0,0|1,0,0]=2 39 B8R1.2 ONC1CCCCC1 M10187793P [1,0,0,0,0,0|1,0,0]=2 40 B8R1.2 [C-]#[N+]C1CCCCC1 M10023425P [1,0,0,0,0,0|2,0,0]=3 41 B10R1.13 CC(C1CCN(C)CC1)=O M10167003P [0,1,0,0,0,0|2,0,0]=3 42 B10R1.13 CC(N1CCC(N)CC1)=O M10788879P [0,1,0,0,0,0|2,0,0]=3 43 B10R1.13 CC(N1CCC(O)CC1)=O M10059548P [0,1,0,0,0,0|2,0,0]=3 44 B10R1.13 NC1CCC(N(C)C)CC1 M11095297P [0,1,0,0,0,0|3,0,0]=4 45 B10R1.13 O=C(C1CCC(N)CC1)O M10036114P [0,1,0,0,0,0|0,0,0]=1 46 B10R1.13 O=C(C1CCC(O)CC1)O M10149467P [0,1,0,0,0,0|0,0,0]=1 47 B10R1.13 O=C(C1CCN(C)CC1)O M10432345P [0,1,0,0,0,0|1,0,0]=2 48 B10R1.13 O=C(Cl)N1CCN(C)CC1 M10280586P [0,1,0,0,0,0|3,0,0]=4 49 B10R1.13 O=C([C@H]1CC[C@H](C)CC1)O M10120307P [0,1,0,0,0,0|0,0,0]=1 50 B10R1.13 O=C([C@H]1CC[C@H](F)CC1)O M10803086P [0,1,0,0,0,0|0,0,0]=1 51 B10R1.13 O=C([C@H]1CC[C@H](N)CC1)O M10056733P [0,1,0,0,0,0|0,0,0]=1 52 B10R1.13 O=C([C@H]1CC[C@H](N)CC1)O M10200307P [0,1,0,0,0,0|0,0,0]=1 53 B10R1.13 OC1CCC(C(C)C)CC1 M10064861P [0,1,0,0,0,0|2,0,1]=4 54 B10R1.15 C=CC(N1CCOCC1)=O M10068872P [0,1,0,0,0,0|3,0,0]=4 55 B10R1.15 O=C(C1=CCCCO1)OC M10728961P [0,1,0,0,0,0|1,0,2]=4 56 B10R1.15 O=C(C1=CCOCC1)OC M10660081P [0,1,0,0,0,0|1,0,2]=4 57 B10R1.15 O=C(C1CC=CCC1)OC M10092649P [0,1,0,0,0,0|0,0,2]=3 58 B10R1.15 O=C(C1CCCCO1)OC M10496543P [0,1,0,0,0,0|1,0,0]=2 59 B10R1.15 O=C(C1CCNCC1)OC M10105873P [0,1,0,0,0,0|1,0,0]=2 60 B10R1.15 O=C(C1CNCCC1)OC M10585818P [0,1,0,0,0,0|1,0,0]=2 61 B10R1.15 O=C(C1COCCC1)OC M10157007P [0,1,0,0,0,0|1,0,0]=2 62 B10R1.15 O=C(C1NCCCC1)OC M10217579P [0,1,0,0,0,0|1,0,0]=2 63 B10R1.15 O=C(N1CCNCC1)OC M10254909P [0,1,0,0,0,0|2,0,0]=3 64 B10R1.15 O=C(N1CCOCC1)CCl M10030803P [0,1,0,0,0,0|3,0,0]=4 65 B10R1.15 O=C([C@@H]1NCCCC1)OC M11191820P [0,1,0,0,0,0|1,0,0]=2 66 B10R1.15 O=C([C@H]1CNCCC1)OC M10793660P [0,1,0,0,0,0|1,0,0]=2 67 B10R1.28 CC(C1CCCCC1)(C)C M10051954P [0,1,0,0,0,0|2,0,1]=4 68 B10R1.28 CC(O)(C1CCNCC1)C M10177822P [0,1,0,0,0,0|2,0,1]=4 69 B10R1.61 N[C@H]1[C@H](N(C)C)CCCC1 M10858010P [0,1,0,0,0,0|3,0,0]=4 70 B10R1.61 O=C(C1C(O)CCCC1)O M10015822P [0,1,0,0,0,0|0,0,0]=1 71 B10R1.61 O=C([C@@H]1N(C)CCCC1)O M10245935P [0,1,0,0,0,0|1,0,0]=2 72 B10R1.61 O=C1C(C(C)=O)CCCC1 M10022320P [0,1,0,0,0,0|1,0,1]=3 73 B10R1.113 O=C(C1CC(NCC1)=O)O M10185359P [0,1,0,0,0,0|1,0,1]=3 74 B10R1.113 O=C(C1CN(C)CCC1)O M10163850P [0,1,0,0,0,0|1,0,0]=2 75 B10R1.113 O=C([C@@H]1NCC[C@@H](C)C1)O M10457687P [0,1,0,0,0,0|1,0,0]=2 76 B10R1.363 CC1(C(C)=O)CCCCC1 M10048720P [0,1,0,0,0,0|1,0,0]=2 77 B10R1.363 O=C(C1(N)CCNCC1)O M10244474P [0,1,0,0,0,0|1,0,0]=2 78 B10R1.363 O=C([C@]1(C)NCCCC1)O M10657068P [0,1,0,0,0,0|1,0,0]=2 79 B8R0.7 BrCCCCOC(C)=O M10065998P [0,0,1,0,0,0|3,0,0]=4 80 B8R0.7 C#CCCCCC(O)=O M10212111P [0,0,1,0,0,0|0,0,2]=3 81 B8R0.7 C=CCCCCC(O)=O M10027121P [0,0,1,0,0,0|0,0,2]=3 82 B8R0.7 CC(O)CCCCCC M10060290P [0,0,1,0,0,0|1,0,1]=3 83 B8R0.7 CC(O)COCCCC M10069007P [0,0,1,0,0,0|2,0,1]=4 84 B8R0.7 CCCCCCB(O)O M10142242P [0,0,1,0,0,0|1,0,1]=3 85 B8R0.7 CCCC\C=C\C(O)=O M10158440P [0,0,1,0,0,0|0,0,2]=3 86 B8R0.7 CSCCCOC(C)=O M10144018P [0,0,1,0,0,0|3,0,0]=4 87 B8R0.7 C[C@@H](O)CCCCCC M10082518P [0,0,1,0,0,0|1,0,1]=3 88 B8R0.7 C[C@H](O)CCCCCC M10084602P [0,0,1,0,0,0|1,0,1]=3 89 B8R0.7 O=C(Cl)CCCCCBr M10176911P [0,0,1,0,0,0|2,0,0]=3 90 B8R0.7 O=C(Cl)OCCCCC M10017366P [0,0,1,0,0,0|2,0,0]=3 91 B8R0.7 O=C(Cl)OCCOCC M10016994P [0,0,1,0,0,0|3,0,0]=4 92 B8R0.7 O=C(O)CCCCCN M10196151P [0,0,1,0,0,0|1,0,0]=2 93 B8R0.7 O=C(O)COCCCC M10044886P [0,0,1,0,0,0|1,0,0]=2 94 B8R0.7 O=C(O)COCCOC M10140131P [0,0,1,0,0,0|2,0,0]=3 95 B8R0.8 O=C(O)C(Br)CCCBr M10030963P [0,0,1,0,0,0|2,0,0]=3 96 B8R0.8 O=C(O)C(O)CCSC M10014771P [0,0,1,0,0,0|2,0,0]=3 97 B8R0.8 O=C(O)[C@@H](N)CCCN M10000749P [0,0,1,0,0,0|2,0,0]=3 98 B8R0.8 O=C(O)[C@@H](N)CCCN M10312953P [0,0,1,0,0,0|2,0,0]=3 99 B8R0.8 O=C([O-])C(O)CCSC M10066845P [0,0,1,0,0,0|2,0,1]=4 100 B10R2.62 OC1CN2CCC1CC2 M10085296P [0,0,0,1,0,0|2,0,1]=4 101 B10R2.62 O[C@@H]1CN2CCC1CC2 M10224313P [0,0,0,1,0,0|2,0,1]=4 102 B10R2.196 ClC1(Cl)C2CCCCC12 M10021384P [0,0,0,1,0,0|2,0,1]=4 103 B10R2.357 O=C([C@H]1N[C@@H]2C[C@@H]2C1)N M10942571P [0,0,0,1,0,0|2,0,0]=3 104 B10R2.357 O=C([C@H]1N[C@H]2C[C@H]2C1)N M10943489P [0,0,0,1,0,0|2,0,0]=3 105 B8R1.7 CC(C1SCCN1)=O M10425066P [0,0,0,0,1,0|3,0,0]=4 106 B8R1.7 CC([C@@H]1OCCC1)=O M10934991P [0,0,0,0,1,0|2,0,0]=3 107 B8R1.7 CC([C@H]1OCCC1)=O M10733047P [0,0,0,0,1,0|2,0,0]=3 108 B8R1.7 O=C(C1=COCC1)O M10633740P [0,0,0,0,1,0|1,0,2]=4 109 B8R1.7 O=C(C1CNCC1)O M10088532P [0,0,0,0,1,0|1,0,0]=2 110 B8R1.7 O=C(C1CNCC1)O M10307067P [0,0,0,0,1,0|1,0,0]=2 111 B8R1.7 O=C([C@@H]1COCC1)O M10797101P [0,0,0,0,1,0|1,0,0]=2 112 B8R1.7 O=C([C@@H]1NCC=C1)O M10302447P [0,0,0,0,1,0|1,0,2]=4 113 B8R1.7 O=C([C@@H]1NCCC1)N M10256539P [0,0,0,0,1,0|2,0,0]=3 114 B8R1.7 O=C([C@H]1COCC1)O M10421829P [0,0,0,0,1,0|1,0,0]=2 115 B10R1.18 CC(CC1CCCCC1)=O M10003101P [0,0,0,0,0,1|1,0,0]=2 116 B10R1.18 O=C(N)NC1CCCCC1 M10018809P [0,0,0,0,0,1|1,0,0]=2 117 B10R1.18 O=C(O)CC1CCNCC1 M10257318P [0,0,0,0,0,1|1,0,0]=2 118 B10R1.18 O=C(O)CC1CCNCC1 M10451389P [0,0,0,0,0,1|1,0,0]=2 119 B10R1.18 O=C(O)CC1CNCCC1 M10445395P [0,0,0,0,0,1|1,0,0]=2 120 B10R1.18 O=C(O)CC1NCCNC1 M10131974P [0,0,0,0,0,1|2,0,0]=3 121 B10R1.18 O=C(O)CN1CCOCC1 M10052534P [0,0,0,0,0,1|2,0,0]=3 122 B10R1.18 O=C(O)CN1CCOCC1 M10573512P [0,0,0,0,0,1|2,0,0]=3 123 B10R1.348 O=C(C1CCCCCC1)O M10031109P [0,0,0,0,0,1|0,0,0]=1 124 B10R1.348 O=C(C1NCCCCC1)O M10069811P [0,0,0,0,0,1|0,0,0]=1 125 B7R0.1 C=CCCCCCCl M10023319P [1,0,1,0,0,0|2,0,0]=4 126 B7R0.1 CCCCCCCI M10061657P [1,0,1,0,0,0|1,0,1]=4 127 B7R0.4 CC(CCCCBr)=O M10113189P [1,0,1,0,0,0|2,0,0]=4 128 B7R0.4 CCCCCB(O)O M10065828P [1,0,1,0,0,0|1,0,1]=4 129 B7R0.4 CCCCCC(Cl)=O M10005436P [1,0,1,0,0,0|1,0,0]=3 130 B7R0.4 O=C(N)NCCCC M10195780P [1,0,1,0,0,0|2,0,0]=4 131 B7R0.4 O=C(N)NCCCC M10200467P [1,0,1,0,0,0|2,0,0]=4 132 B7R0.4 O=C(O)CCCC#N M10239045P [1,0,1,0,0,0|1,0,1]=4 133 B7R0.4 O=C(O)CCCCO M10123275P [1,0,1,0,0,0|1,0,0]=3 134 B7R0.4 O=C(O)CCOCC M10062024P [1,0,1,0,0,0|1,0,0]=3 135 B7R0.4 O=C(O)CNCCN M10183221P [1,0,1,0,0,0|2,0,0]=4 136 B7R0.4 O=C(O)COCCC M10276951P [1,0,1,0,0,0|1,0,0]=3 137 B7R0.4 O=C([O-])CCCCO M10233260P [1,0,1,0,0,0|1,0,1]=4 138 B7R0.3 C=CC(O)CCCC M10067454P [1,0,1,0,0,0|2,0,0]=4 139 B7R0.5 CCCC(Br)C(O)=O M10014810P [1,0,1,0,0,0|1,0,0]=3 140 B7R0.5 CCCC(C)C(O)=O M10209692P [1,0,1,0,0,0|0,0,0]=2 141 B7R0.5 CC\C=C(C)\C(O)=O M10051561P [1,0,1,0,0,0|0,0,2]=4 142 B7R0.5 O=C(O)C(Cl)COC M10045189P [1,0,1,0,0,0|2,0,0]=4 143 B7R0.5 O=C(O)C(F)CCN M10193859P [1,0,1,0,0,0|2,0,0]=4 144 B7R0.5 O=C(O)C(N)CCN M10024859P [1,0,1,0,0,0|2,0,0]=4 145 B7R0.5 O=C(O)[C@@H](N)COC M10217767P [1,0,1,0,0,0|2,0,0]=4 146 B7R0.5 O=C(O)[C@@H](N)COC M10861260P [1,0,1,0,0,0|2,0,0]=4 147 B7R0.5 O=C(O)[C@H](N)COC M10505436P [1,0,1,0,0,0|2,0,0]=4 148 B7R0.5 O=C(O)[C@H](N)COC M10505437P [1,0,1,0,0,0|2,0,0]=4 149 B7R0.12 OCC(CCC)CO M10045939P [1,0,1,0,0,0|1,0,1]=4 150 B7R0.15 CC(N(CC)CC)=O M10018363P [1,0,1,0,0,0|2,0,0]=4 151 B7R0.15 O=C(O)C(CBr)CBr M10245960P [1,0,1,0,0,0|2,0,0]=4 152 B7R1.3 C[C@H]1CNCCC1 M10841057P [2,0,0,0,0,0|1,0,1]=4 153 B7R1.3 C[C@H]1NCCCC1 M10035322P [2,0,0,0,0,0|1,0,1]=4 154 B7R1.3 ClC1CCCCO1 M10051478P [2,0,0,0,0,0|2,0,0]=4 155 B7R1.3 ClC1CCNCC1 M10072346P [2,0,0,0,0,0|2,0,0]=4 156 B7R1.3 NC1CCCCC1 M10067868P [2,0,0,0,0,0|1,0,0]=3 157 B7R1.3 NC1CCCCC1 M10164877P [2,0,0,0,0,0|1,0,0]=3 158 B7R1.3 NC1CCCCC1 M10192982P [2,0,0,0,0,0|1,0,0]=3 159 B7R1.3 NC1CCCCC1 M10222576P [2,0,0,0,0,0|1,0,0]=3 160 B7R1.3 NC1CCNCC1 M10227998P [2,0,0,0,0,0|2,0,0]=4 161 B7R1.3 NC1CCSCC1 M10172428P [2,0,0,0,0,0|2,0,0]=4 162 B7R1.3 NC1CCSCC1 M10842884P [2,0,0,0,0,0|2,0,0]=4 163 B7R1.3 NC1CNCCC1 M10274112P [2,0,0,0,0,0|2,0,0]=4 164 B7R1.3 NN1CCCCC1 M10390507P [2,0,0,0,0,0|2,0,0]=4 165 B7R1.3 N[C@@H]1CNCCC1 M10481372P [2,0,0,0,0,0|2,0,0]=4 166 B7R1.3 N[C@@H]1COCCC1 M10121266P [2,0,0,0,0,0|2,0,0]=4 167 B7R1.3 N[C@@H]1COCCC1 M11098623P [2,0,0,0,0,0|2,0,0]=4 168 B7R1.3 N[C@H]1CNCCC1 M10725270P [2,0,0,0,0,0|2,0,0]=4 169 B7R1.3 N[C@H]1COCCC1 M11098624P [2,0,0,0,0,0|2,0,0]=4 170 B7R1.3 O=C1CCNCC1 M10246538P [2,0,0,0,0,0|1,0,1]=4 171 B7R1.3 O=C1CCNCC1 M10247465P [2,0,0,0,0,0|1,0,1]=4 172 B7R1.3 O=C1CCNCC1 M10857977P [2,0,0,0,0,0|1,0,1]=4 173 B7R1.3 O=C1CCOCC1 M10179636P [2,0,0,0,0,0|1,0,1]=4 174 B7R1.3 O=C1CNCCC1 M10342345P [2,0,0,0,0,0|1,0,1]=4 175 B7R1.3 O=S1CCCCC1 M10067807P [2,0,0,0,0,0|1,0,0]=3 176 B7R1.3 OC1CNCCO1 M10475029P [2,0,0,0,0,0|2,0,0]=4 177 B7R1.3 OC1COCOC1 M10192268P [2,0,0,0,0,0|2,0,0]=4 178 B7R1.3 OC1COCOC1 M10508011P [2,0,0,0,0,0|2,0,0]=4 179 B7R1.3 ON1CCCCC1 M10066414P [2,0,0,0,0,0|1,0,0]=3 180 B9R0.1 O=C(O)CCCC(OC)=O M10031796P [0,1,1,0,0,0|1,0,1]=4 181 B9R0.2 C=CCCCCCC(O)=O M10156973P [0,1,1,0,0,0|0,0,1]=3 182 B9R0.2 O=C(O)CCCCCCN M10378899P [0,1,1,0,0,0|0,0,0]=2 183 B9R0.2 O=C(O)CCCCCCO M10056977P [0,1,1,0,0,0|0,0,0]=2 184 B9R0.2 O=C(O)CCCCCOC M10246469P [0,1,1,0,0,0|0,0,0]=2 185 B9R0.38 CCCCCCP(O)(O)=O M10065651P [0,1,1,0,0,0|1,0,0]=3 186 B9R0.46 O=C(OC)CCCCCBr M10129964P [0,1,1,0,0,0|1,0,0]=3 187 B9R0.46 O=C(OC)CCCCCO M10064340P [0,1,1,0,0,0|1,0,0]=3 188 B9R0.47 O=C(O)[C@@H](N)CCCCN M10073031P [0,1,1,0,0,0|1,0,0]=3 189 B9R0.47 O=C(O)[C@@H](N)CCCCN M10197723P [0,1,1,0,0,0|1,0,0]=3 190 B9R0.55 O=C(O)CCCCC(C)=O M10051384P [0,1,1,0,0,0|0,0,1]=3 191 B9R0.7 CC(C)CC[C@@H](N)C(O)=O M10747756P [0,1,1,0,0,0|1,0,0]=3 192 B9R0.7 CC(C)CC[C@H](N)C(O)=O M10215341P [0,1,1,0,0,0|1,0,0]=3 193 B9R0.8 CCCCC(Br)C(OC)=O M10064420P [0,1,1,0,0,0|1,0,0]=3 194 B9R0.8 CCCCC(Br)C(OC)=O M10437847P [0,1,1,0,0,0|1,0,0]=3 195 B9R0.8 O=C(OC)[C@@H](N)CCCN M10242020P [0,1,1,0,0,0|2,0,0]=4 196 B9R0.8 [Zn+]OC([C@@H](N)CCSC)=O M10287809P [0,1,1,0,0,0|2,0,0]=4 197 B9R0.13 CCCCC(CC)C(Cl)=O M10020004P [0,1,1,0,0,0|1,0,0]=3 198 B9R0.13 CCCCC(CC)C([O-])=O M10188990P [0,1,1,0,0,0|0,0,1]=3 199 B9R0.13 CCCCC(CC)C([O-])=O M12014329P [0,1,1,0,0,0|0,0,1]=3 200 B9R0.29 CC[C@H](C)[C@H](NC)C(O)=O M10060277P [0,1,1,0,0,0|1,0,0]=3 201 B9R1.1 N#CC1CCC(O)CC1 M10182963P [1,1,0,0,0,0|1,0,1]=4 202 B9R1.1 NC1CCC(OC)CC1 M10062169P [1,1,0,0,0,0|2,0,0]=4 203 B9R1.1 NC1CCC(OC)CC1 M10076091P [1,1,0,0,0,0|2,0,0]=4 204 B9R1.1 OC1CCC(OC)CC1 M10153152P [1,1,0,0,0,0|2,0,0]=4 205 B9R1.1 OCC1CCN(C)CC1 M10167002P [1,1,0,0,0,0|1,0,1]=4 206 B9R1.8 C=COC1CCCCC1 M10040911P [1,1,0,0,0,0|1,0,0]=3 207 B9R1.8 CCCC1CCCCC1 M10034652P [1,1,0,0,0,0|1,0,1]=4 208 B9R1.8 NCCC1CCCCC1 M10076838P [1,1,0,0,0,0|1,0,1]=4 209 B9R1.8 O=CNC1=CCCCC1 M10243505P [1,1,0,0,0,0|0,0,2]=4 210 B9R1.8 OCCC1CCCCC1 M10063359P [1,1,0,0,0,0|0,0,1]=3 211 B9R1.8 OCCC1CCNCC1 M10599588P [1,1,0,0,0,0|1,0,1]=4 212 B9R1.8 OCCC1CNCCC1 M10145092P [1,1,0,0,0,0|1,0,1]=4 213 B9R1.15 O[C@H]1[C@H](NC)CCCC1 M10171206P [1,1,0,0,0,0|2,0,0]=4 214 B9R1.118 OC1(CC)CCCCC1 M10038193P [1,1,0,0,0,0|1,0,1]=4 215 B9R1.11 ClCC(N1CCCC1)=O M10165063P [0,1,0,0,1,0|2,0,0]=4 216 B9R1.11 O=C(C1=CCCC1)OC M10190686P [0,1,0,0,1,0|0,0,2]=4 217 B9R1.11 O=C(C1CNCC1)OC M10828155P [0,1,0,0,1,0|1,0,0]=3 218 B9R1.11 O=C(C1OCCC1)OC M10233304P [0,1,0,0,1,0|1,0,0]=3 219 B9R1.35 N[C@@H]1C=C[C@H](C(O)=O)C1 M10732338P [0,1,0,0,1,0|0,0,2]=4 220 B9R1.35 N[C@H]1C=C[C@@H](C(O)=O)C1 M10732337P [0,1,0,0,1,0|0,0,2]=4 221 B9R1.35 N[C@H]1C=C[C@@H](C(O)=O)C1 M10737963P [0,1,0,0,1,0|0,0,2]=4 222 B9R1.35 O=C(C1CC(CC1)=O)O M10002671P [0,1,0,0,1,0|0,0,1]=3 223 B9R1.35 O=C(C1CN(C)CC1)O M10190927P [0,1,0,0,1,0|1,0,0]=3 224 B9R1.35 O=C(C1CN(C)CC1)O M10254714P [0,1,0,0,1,0|1,0,0]=3 225 B9R1.35 O=C([C@@H]1CCC(O1)=O)O M10170449P [0,1,0,0,1,0|1,0,1]=4 226 B9R1.35 O=C([C@@H]1NC[C@@H](O)C1)O M10758337P [0,1,0,0,1,0|1,0,0]=3 227 B9R1.35 O=C([C@@H]1NC[C@H](O)C1)O M10467856P [0,1,0,0,1,0|1,0,0]=3 228 B9R1.35 O=C([C@H]1CCC(O1)=O)O M10271394P [0,1,0,0,1,0|1,0,1]=4 229 B9R1.41 O=C([C@H]1N(C)CCC1)O M10011652P [0,1,0,0,1,0|1,0,0]=3 230 B9R1.163 O=C([C@@]1(C)NCCC1)O M10249798P [0,1,0,0,1,0|1,0,0]=3 231 B9R1.163 O=C([C@]1(C)NCCC1)O M10392222P [0,1,0,0,1,0|1,0,0]=3 232 B11R1.20 CC(NC1CCC(O)CC1)=O M10179554P [0,1,0,0,0,1|1,0,0]=3 233 B11R1.20 CC(OC1CCC(CC1)=O)=O M10244760P [0,1,0,0,0,1|1,0,1]=4 234 B11R1.20 O=C(O)CN1CCN(C)CC1 M10278138P [0,1,0,0,0,1|2,0,0]=4 235 B11R1.36 O=C(O)C(N)C1CCOCC1 M10269816P [0,1,0,0,0,1|1,0,0]=3 236 B11R1.36 O=C(O)[C@H](N)C1CCOCC1 M10882601P [0,1,0,0,0,1|1,0,0]=3 237 B11R1.40 NNC(NC1CCCCC1)=S M10169154P [0,1,0,0,0,1|1,1,0]=4 238 B11R1.40 O=C(OC)CC1CCNCC1 M10482818P [0,1,0,0,0,1|1,0,0]=3 239 B11R1.40 O=C(OC)CC1NCCNC1 M10872267P [0,1,0,0,0,1|2,0,0]=4 240 B11R1.40 O=C(OC)CC1NCCNC1 M12277833P [0,1,0,0,0,1|2,0,0]=4 241 B11R1.143 O=C1N(C(C)=O)CCCCC1 M10037588P [0,1,0,0,0,1|2,0,0]=4 242 B11R1.852 O=C(C1CCCCCC1)OC M10314157P [0,1,0,0,0,1|0,0,0]=2 243 B11R1.3 O=C(C1CCC(OC)CC1)O M10625307P [0,2,0,0,0,0|0,0,0]=2 244 B11R1.3 O=C([C@H]1CC[C@H](CC)CC1)O M10096559P [0,2,0,0,0,0|0,0,0]=2 245 B11R1.22 O=C(C1CCC(O)CC1)OC M10149669P [0,2,0,0,0,0|0,0,0]=2 246 B11R1.22 O=C(C1CCN(C)CC1)OC M10034838P [0,2,0,0,0,0|1,0,0]=3 247 B11R1.22 O=C([C@H]1CC[C@H](O)CC1)OC M10084042P [0,2,0,0,0,0|0,0,0]=2 248 B11R1.16 O=C(C1CCNCC1)OCC M10771698P [0,2,0,0,0,0|1,0,0]=3 249 B11R1.16 O=C(C1CNCCC1)OCC M10066727P [0,2,0,0,0,0|1,0,0]=3 250 B11R1.16 O=C(C1CNCCC1)OCC M10067963P [0,2,0,0,0,0|1,0,0]=3 251 B11R1.16 O=C(C1NCCCC1)OCC M10466005P [0,2,0,0,0,0|1,0,0]=3 252 B11R1.16 O=C(C1NCCNC1)OCC M10586758P [0,2,0,0,0,0|2,0,0]=4 253 B11R1.23 O=C(C1CN(C)CCC1)OC M10034835P [0,2,0,0,0,0|1,0,0]=3 254 B11R1.222 O=C(C1CNCCC1=O)OC M10443139P [0,2,0,0,0,0|1,0,1]=4 255 B11R1.222 O=C1C(C(OC)=O)CNCC1 M10286115P [0,2,0,0,0,0|1,0,1]=4 256 B11R1.878 O=C(C1(N)CCCCC1)OC M10064001P [0,2,0,0,0,0|0,0,0]=2 257 B11R1.53 O=C([C@@H]1[C@@H](CO)CCCC1)N M10699987P [0,2,0,0,0,0|1,0,0]=3 258 B11R1.730 O=C(C1CC(C)(C)OCC1)O M10267807P [0,2,0,0,0,0|1,0,0]=3 259 B9R1.13 O=C(O)CC1COCC1 M10746626P [0,0,1,1,0,0|1,0,0]=3 260 B9R1.13 O=C(O)CC1OCCC1 M10043869P [0,0,1,1,0,0|1,0,0]=3 261 B9R1.13 O=C(O)C[C@@H]1NCCC1 M10330790P [0,0,1,1,0,0|1,0,0]=3 262 B9R1.13 O=C(O)C[C@@H]1NCCC1 M10879019P [0,0,1,1,0,0|1,0,0]=3 263 B9R1.13 O=C(O)C[C@H]1CNCC1 M10715094P [0,0,1,1,0,0|1,0,0]=3 264 B9R1.50 O=C1NCCCCCC1 M10018116P [0,0,1,1,0,0|1,0,0]=3 265 B9R1.5 O=C1NCCCCC1N M10018058P [0,0,1,1,0,0|2,0,0]=4 266 B9R1.5 O=C1NCCCC[C@H]1N M10204271P [0,0,1,1,0,0|2,0,0]=4 267 B9R1.33 O=C1N(CCC)CCC1 M10054809P [0,0,1,1,0,0|2,0,0]=4 268 B9R2.65 OCC1[C@H]2CNC[C@@H]12 M10852316P [1,0,0,1,0,0|1,0,1]=4 269 B9R2.174 O1CC12CCCCC2 M10005989P [1,0,0,1,0,0|0,0,1]=3 270 B11R2.703 O=C1CC2(CCNCC2)C1 M11141872P [0,0,0,1,0,1|2,0,0]=4 271 B11R2.703 O=C1NC2(CCNCC2)C1 M11119929P [0,0,0,1,0,1|2,0,0]=4 272 B11R2.1 O=C1OC[C@@H]2CNCCN21 M10089966P [0,1,0,1,0,0|2,0,0]=4 273 B11R2.1 O=C1OC[C@H]2CNCCN21 M11032291P [0,1,0,1,0,0|2,0,0]=4 274 B7R1.1 BrCC1CCCC1 M10057867P [1,0,0,0,1,0|1,0,1]=4 275 B7R1.1 Br[Mg]C1CCCC1 M10219729P [1,0,0,0,1,0|2,0,0]=4 276 B7R1.1 COC1CCCC1 M10078199P [1,0,0,0,1,0|2,0,0]=4 277 B7R1.1 Cl[Mg]C1CCCC1 M12276705P [1,0,0,0,1,0|2,0,0]=4 278 B7R1.1 NCC1CCCC1 M10302882P [1,0,0,0,1,0|1,0,1]=4 279 B7R1.1 O=CC1OCCC1 M10109701P [1,0,0,0,1,0|1,0,0]=3 280 B7R1.1 OCC1COCC1 M10138830P [1,0,0,0,1,0|1,0,1]=4 281 B7R1.1 OC[C@@H]1CNCC1 M10673087P [1,0,0,0,1,0|1,0,1]=4 282 B7R1.1 OC[C@H]1CNCC1 M10673086P [1,0,0,0,1,0|1,0,1]=4 283 B7R1.18 N=C(C1CCC1)N M10444128P [0,0,0,0,2,0|2,0,0]=4 284 B7R1.18 O=C(C1NCC1)O M10164146P [0,0,0,0,2,0|1,0,0]=3 285 B7R1.18 O=C(C1OCC1)O M10006194P [0,0,0,0,2,0|1,0,0]=3 286 B7R1.18 O=C([C@@H]1NCC1)O M10110131P [0,0,0,0,2,0|1,0,0]=3 287 B7R1.18 O=C([C@H]1NCC1)O M10875068P [0,0,0,0,2,0|1,0,0]=3 288 B7R1.18 OB(C1CCC1)O M10997879P [0,0,0,0,2,0|1,0,1]=4 289 B9R1.89 COC1CCNCCC1 M10098596P [1,0,0,0,0,1|2,0,0]=4 290 B11R1.91 O=C(Cl)CCC1CCCCC1 M10238618P [0,0,0,0,0,2|1,0,0]=3 291 B11R1.91 O=C(O)CCC1NCCCC1 M10059891P [0,0,0,0,0,2|1,0,0]=3 292 B11R1.91 O=C(O)CCC1NCCCC1 M10637402P [0,0,0,0,0,2|1,0,0]=3