0 B10R1.18 CC(CC1CCCCC1)=O M10003101P [0,0,0,0,0,0|1,0,0]=1 1 B10R1.18 O=C(N)NC1CCCCC1 M10018809P [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 O=C(O)CC1CCNCC1 M10257318P [0,0,0,0,0,0|1,0,0]=1 3 B10R1.18 O=C(O)CC1CCNCC1 M10451389P [0,0,0,0,0,0|1,0,0]=1 4 B10R1.18 O=C(O)CC1CNCCC1 M10445395P [0,0,0,0,0,0|1,0,0]=1 5 B10R1.18 O=C(O)CC1NCCNC1 M10131974P [0,0,0,0,0,0|2,0,0]=2 6 B10R1.18 O=C(O)CN1CCOCC1 M10052534P [0,0,0,0,0,0|2,0,0]=2 7 B10R1.18 O=C(O)CN1CCOCC1 M10573512P [0,0,0,0,0,0|2,0,0]=2 8 B9R1.8 C=COC1CCCCC1 M10040911P [1,0,0,0,0,0|2,0,0]=3 9 B9R1.8 CCCC1CCCCC1 M10034652P [1,0,0,0,0,0|1,0,1]=3 10 B9R1.8 NCCC1CCCCC1 M10076838P [1,0,0,0,0,0|1,0,1]=3 11 B9R1.8 O=CNC1=CCCCC1 M10243505P [1,0,0,0,0,0|1,0,2]=4 12 B9R1.8 OCCC1CCCCC1 M10063359P [1,0,0,0,0,0|0,0,1]=2 13 B9R1.8 OCCC1CCNCC1 M10599588P [1,0,0,0,0,0|1,0,1]=3 14 B9R1.8 OCCC1CNCCC1 M10145092P [1,0,0,0,0,0|1,0,1]=3 15 B9R1.8 OCCC1NCCNC1 M10053975P [1,0,0,0,0,0|2,0,1]=4 16 B9R1.8 OCCC1NCCOC1 M10873035P [1,0,0,0,0,0|2,0,1]=4 17 B9R1.8 OCC[C@@H]1NCCNC1 M11121589P [1,0,0,0,0,0|2,0,1]=4 18 B11R1.20 CC(NC1CCC(O)CC1)=O M10179554P [0,1,0,0,0,0|2,0,0]=3 19 B11R1.20 CC(OC1CCC(CC1)=O)=O M10244760P [0,1,0,0,0,0|2,0,1]=4 20 B11R1.20 O=C(O)CN1CCN(C)CC1 M10278138P [0,1,0,0,0,0|2,0,0]=3 21 B11R1.36 O=C(O)C(N)C1CCOCC1 M10269816P [0,1,0,0,0,0|1,0,0]=2 22 B11R1.36 O=C(O)[C@H](N)C1CCOCC1 M10882601P [0,1,0,0,0,0|1,0,0]=2 23 B11R1.40 NNC(NC1CCCCC1)=S M10169154P [0,1,0,0,0,0|2,1,0]=4 24 B11R1.40 O=C(OC)CC1CCNCC1 M10482818P [0,1,0,0,0,0|1,0,0]=2 25 B11R1.40 O=C(OC)CC1NCCNC1 M10872267P [0,1,0,0,0,0|2,0,0]=3 26 B11R1.40 O=C(OC)CC1NCCNC1 M12277833P [0,1,0,0,0,0|2,0,0]=3 27 B9R0.2 C=CCCCCCC(O)=O M10156973P [0,0,1,0,0,0|0,0,2]=3 28 B9R0.2 O=C(O)CCCCCCN M10378899P [0,0,1,0,0,0|1,0,0]=2 29 B9R0.2 O=C(O)CCCCCCO M10056977P [0,0,1,0,0,0|1,0,0]=2 30 B9R0.2 O=C(O)CCCCCOC M10246469P [0,0,1,0,0,0|1,0,0]=2 31 B9R0.4 CC(OC(C)=O)COCC M10278996P [0,0,1,0,0,0|3,0,0]=4 32 B11R2.703 O=C1CC2(CCNCC2)C1 M11141872P [0,0,0,1,0,0|2,0,0]=3 33 B11R2.703 O=C1NC2(CCNCC2)C1 M11119929P [0,0,0,1,0,0|2,0,0]=3 34 B9R1.6 CC(C1CCCCC1)=O M10021388P [0,0,0,0,1,0|1,0,0]=2 35 B9R1.6 CC(C1CCOCC1)=O M10742643P [0,0,0,0,1,0|2,0,0]=3 36 B9R1.6 N=C(C1CCNCC1)N M11106217P [0,0,0,0,1,0|3,0,0]=4 37 B9R1.6 O=C(C1=CCCCC1)O M10017285P [0,0,0,0,1,0|0,0,2]=3 38 B9R1.6 O=C(C1=CCCCO1)O M10214169P [0,0,0,0,1,0|1,0,2]=4 39 B9R1.6 O=C(C1CCCCC1)O M10002681P [0,0,0,0,1,0|0,0,0]=1 40 B9R1.6 O=C(C1CCCCC1)[O-] M10005124P [0,0,0,0,1,0|0,0,1]=2 41 B9R1.6 O=C(C1CCCCO1)O M10261099P [0,0,0,0,1,0|1,0,0]=2 42 B9R1.6 O=C(C1CCOCC1)O M10071426P [0,0,0,0,1,0|1,0,0]=2 43 B9R1.6 O=C(C1COCCC1)O M10012480P [0,0,0,0,1,0|1,0,0]=2 44 B9R1.6 O=C(C1NCCNC1)O M10047414P [0,0,0,0,1,0|2,0,0]=3 45 B9R1.6 O=C(C1NCCSC1)O M10168222P [0,0,0,0,1,0|2,0,0]=3 46 B9R1.6 O=C(Cl)C1CCOCC1 M10241966P [0,0,0,0,1,0|2,0,0]=3 47 B9R1.6 O=C([C@@H]1NCCNC1)O M10723219P [0,0,0,0,1,0|2,0,0]=3 48 B9R1.6 O=C([C@H]1CNCCC1)O M11020814P [0,0,0,0,1,0|1,0,0]=2 49 B9R1.13 CC(N[C@@H]1CNCC1)=O M10695408P [0,0,0,0,1,0|3,0,0]=4 50 B9R1.13 O=C(O)CC1COCC1 M10746626P [0,0,0,0,1,0|1,0,0]=2 51 B9R1.13 O=C(O)CC1OCCC1 M10043869P [0,0,0,0,1,0|1,0,0]=2 52 B9R1.13 O=C(O)C[C@@H]1NCCC1 M10330790P [0,0,0,0,1,0|1,0,0]=2 53 B9R1.13 O=C(O)C[C@@H]1NCCC1 M10879019P [0,0,0,0,1,0|1,0,0]=2 54 B9R1.13 O=C(O)C[C@H]1CNCC1 M10715094P [0,0,0,0,1,0|1,0,0]=2 55 B11R1.91 O=C(Cl)CCC1CCCCC1 M10238618P [0,0,0,0,0,1|1,0,0]=2 56 B11R1.91 O=C(O)CCC1NCCCC1 M10059891P [0,0,0,0,0,1|1,0,0]=2 57 B11R1.91 O=C(O)CCC1NCCCC1 M10637402P [0,0,0,0,0,1|1,0,0]=2 58 B8R0.4 C=CCCCCCCCl M10022226P [1,0,1,0,0,0|2,0,0]=4 59 B8R0.4 CCCCCCCCI M10017037P [1,0,1,0,0,0|1,0,1]=4 60 B8R0.4 CCCCCCN=C=O M10045007P [1,0,1,0,0,0|1,0,1]=4 61 B8R0.4 CCCCC\C=C\C=O M10045247P [1,0,1,0,0,0|0,0,2]=4 62 B8R0.4 OCCCCCCCO M10017038P [1,0,1,0,0,0|1,0,1]=4 63 B8R0.7 C#CCCCCC(O)=O M10212111P [1,0,1,0,0,0|0,0,2]=4 64 B8R0.7 C=CCCCCC(O)=O M10027121P [1,0,1,0,0,0|0,0,2]=4 65 B8R0.7 CC(O)CCCCCC M10060290P [1,0,1,0,0,0|1,0,1]=4 66 B8R0.7 CCCCCCB(O)O M10142242P [1,0,1,0,0,0|1,0,1]=4 67 B8R0.7 CCCC\C=C\C(O)=O M10158440P [1,0,1,0,0,0|0,0,2]=4 68 B8R0.7 C[C@@H](O)CCCCCC M10082518P [1,0,1,0,0,0|1,0,1]=4 69 B8R0.7 C[C@H](O)CCCCCC M10084602P [1,0,1,0,0,0|1,0,1]=4 70 B8R0.7 O=C(Cl)CCCCCBr M10176911P [1,0,1,0,0,0|2,0,0]=4 71 B8R0.7 O=C(Cl)OCCCCC M10017366P [1,0,1,0,0,0|2,0,0]=4 72 B8R0.7 O=C(O)CCCCCN M10196151P [1,0,1,0,0,0|1,0,0]=3 73 B8R0.7 O=C(O)COCCCC M10044886P [1,0,1,0,0,0|1,0,0]=3 74 B8R0.7 O=C(O)COCCOC M10140131P [1,0,1,0,0,0|2,0,0]=4 75 B8R1.2 BrCC1CCNCC1 M10435546P [2,0,0,0,0,0|2,0,0]=4 76 B8R1.2 Br[Mg]C1CCCCC1 M10023423P [2,0,0,0,0,0|2,0,0]=4 77 B8R1.2 CCC1CCCCC1 M10034651P [2,0,0,0,0,0|0,0,1]=3 78 B8R1.2 CCN1CCCCC1 M10020192P [2,0,0,0,0,0|1,0,1]=4 79 B8R1.2 Cl[Mg]C1CCCCC1 M10023424P [2,0,0,0,0,0|2,0,0]=4 80 B8R1.2 ICC1CCOCC1 M10644856P [2,0,0,0,0,0|2,0,0]=4 81 B8R1.2 N#CC1CCCCC1 M10020188P [2,0,0,0,0,0|1,0,1]=4 82 B8R1.2 NCC1CCCCC1 M10052360P [2,0,0,0,0,0|1,0,0]=3 83 B8R1.2 NCC1CCOCC1 M10871026P [2,0,0,0,0,0|2,0,0]=4 84 B8R1.2 O=CC1COCCC1 M10467369P [2,0,0,0,0,0|1,0,0]=3 85 B8R1.2 OCC1CC=CCC1 M10034671P [2,0,0,0,0,0|0,0,2]=4 86 B8R1.2 OCC1CCCCO1 M10002840P [2,0,0,0,0,0|1,0,0]=3 87 B8R1.2 OCC1CNCCO1 M10649725P [2,0,0,0,0,0|2,0,0]=4 88 B8R1.2 OC[C@@H]1CNCCO1 M10129691P [2,0,0,0,0,0|2,0,0]=4 89 B8R1.2 OC[C@H]1CNCCO1 M10784747P [2,0,0,0,0,0|2,0,0]=4 90 B8R1.2 ONC1CCCCC1 M10041269P [2,0,0,0,0,0|1,0,0]=3 91 B8R1.2 ONC1CCCCC1 M10187793P [2,0,0,0,0,0|1,0,0]=3 92 B8R1.2 [C-]#[N+]C1CCCCC1 M10023425P [2,0,0,0,0,0|1,0,1]=4 93 B10R0.4 C=CCCCCCCC(O)=O M10214607P [0,1,1,0,0,0|0,0,1]=3 94 B10R0.4 O=C(Cl)OCCCCCCC M10221559P [0,1,1,0,0,0|1,0,0]=3 95 B10R0.4 O=C(O)COCCCCCC M12277225P [0,1,1,0,0,0|0,0,0]=2 96 B10R0.4 O=C(O)NCCCCCCN M10005461P [0,1,1,0,0,0|1,0,0]=3 97 B10R0.74 C=CC(OCCCCCC)=O M10044707P [0,1,1,0,0,0|2,0,0]=4 98 B10R0.74 CCCCCCCC(NN)=O M10088132P [0,1,1,0,0,0|1,0,0]=3 99 B10R0.74 CCCCCCCC(NO)=O M10104471P [0,1,1,0,0,0|0,0,0]=2 100 B10R0.74 O=C(OC)CCCCCCN M10152761P [0,1,1,0,0,0|1,0,0]=3 101 B10R0.75 CCCCCCC(Br)C(O)=O M10186759P [0,1,1,0,0,0|0,0,0]=2 102 B10R0.78 O=C(O)CNC(CCCC)=O M10182715P [0,1,1,0,0,0|1,0,1]=4 103 B10R0.97 CC(C)CCCCCC(O)=O M10195776P [0,1,1,0,0,0|0,0,0]=2 104 B10R0.44 O=C(O)CC(C)CC(OC)=O M10196883P [0,1,1,0,0,0|1,0,1]=4 105 B10R0.70 CC(C)CC(CN)CC(O)=O M10726759P [0,1,1,0,0,0|1,0,0]=3 106 B10R0.70 CC(C)CC(CN)CC(O)=O M10732294P [0,1,1,0,0,0|1,0,0]=3 107 B10R1.1 OC1CCC(CCC)CC1 M10264159P [1,1,0,0,0,0|1,0,1]=4 108 B10R1.17 OCCCC1CCNCC1 M10100376P [1,1,0,0,0,0|1,0,1]=4 109 B10R1.17 OCCCC1CCNCC1 M10782360P [1,1,0,0,0,0|1,0,1]=4 110 B10R1.17 OCCCN1CCCCC1 M10003171P [1,1,0,0,0,0|1,0,1]=4 111 B10R1.17 OCCOC1CCCCO1 M10040655P [1,1,0,0,0,0|1,0,1]=4 112 B10R1.13 CC(C1CCN(C)CC1)=O M10167003P [0,1,0,0,1,0|2,0,0]=4 113 B10R1.13 CC(N1CCC(N)CC1)=O M10788879P [0,1,0,0,1,0|2,0,0]=4 114 B10R1.13 CC(N1CCC(O)CC1)=O M10059548P [0,1,0,0,1,0|2,0,0]=4 115 B10R1.13 O=C(C1CCC(N)CC1)O M10036114P [0,1,0,0,1,0|0,0,0]=2 116 B10R1.13 O=C(C1CCC(O)CC1)O M10149467P [0,1,0,0,1,0|0,0,0]=2 117 B10R1.13 O=C(C1CCN(C)CC1)O M10432345P [0,1,0,0,1,0|1,0,0]=3 118 B10R1.13 O=C([C@H]1CC[C@H](C)CC1)O M10120307P [0,1,0,0,1,0|0,0,0]=2 119 B10R1.13 O=C([C@H]1CC[C@H](F)CC1)O M10803086P [0,1,0,0,1,0|0,0,0]=2 120 B10R1.13 O=C([C@H]1CC[C@H](N)CC1)O M10056733P [0,1,0,0,1,0|0,0,0]=2 121 B10R1.13 O=C([C@H]1CC[C@H](N)CC1)O M10200307P [0,1,0,0,1,0|0,0,0]=2 122 B10R1.61 O=C(C1C(O)CCCC1)O M10015822P [0,1,0,0,1,0|0,0,0]=2 123 B10R1.61 O=C([C@@H]1N(C)CCCC1)O M10245935P [0,1,0,0,1,0|1,0,0]=3 124 B10R1.61 O=C1C(C(C)=O)CCCC1 M10022320P [0,1,0,0,1,0|1,0,1]=4 125 B10R1.113 O=C(C1CC(NCC1)=O)O M10185359P [0,1,0,0,1,0|1,0,1]=4 126 B10R1.113 O=C(C1CN(C)CCC1)O M10163850P [0,1,0,0,1,0|1,0,0]=3 127 B10R1.113 O=C([C@@H]1NCC[C@@H](C)C1)O M10457687P [0,1,0,0,1,0|1,0,0]=3 128 B10R1.363 CC1(C(C)=O)CCCCC1 M10048720P [0,1,0,0,1,0|1,0,0]=3 129 B10R1.363 O=C(C1(N)CCNCC1)O M10244474P [0,1,0,0,1,0|1,0,0]=3 130 B10R1.363 O=C([C@]1(C)NCCCC1)O M10657068P [0,1,0,0,1,0|1,0,0]=3 131 B10R1.27 O=C(OC)C[C@H]1NCCC1 M10847729P [0,1,0,0,1,0|1,0,0]=3 132 B10R1.64 O=C(O)CN1C(CCC1)=O M10273605P [0,1,0,0,1,0|1,0,1]=4 133 B12R1.34 O=C(OC)C(N)C1CCOCC1 M11124376P [0,2,0,0,0,0|1,0,0]=3 134 B12R1.32 O=C(OCC)CC1CCOCC1 M10650469P [0,2,0,0,0,0|1,0,0]=3 135 B12R1.3862 O=C(O)CC1(C#N)CCCCC1 M10736746P [0,2,0,0,0,0|0,0,0]=2 136 B10R1.348 O=C(C1CCCCCC1)O M10031109P [0,0,1,1,0,0|0,0,0]=2 137 B10R1.348 O=C(C1NCCCCC1)O M10069811P [0,0,1,1,0,0|1,0,0]=3 138 B10R2.7 [C@@H]12CNC[C@@H]1CCCC2 M10790755P [1,0,0,1,0,0|2,0,0]=4 139 B10R2.62 OC1CN2CCC1CC2 M10085296P [1,0,0,1,0,0|1,0,1]=4 140 B10R2.62 O[C@@H]1CN2CCC1CC2 M10224313P [1,0,0,1,0,0|1,0,1]=4 141 B10R2.357 O=C([C@H]1N[C@@H]2C[C@@H]2C1)N M10942571P [0,0,0,1,1,0|2,0,0]=4 142 B10R2.357 O=C([C@H]1N[C@H]2C[C@H]2C1)N M10943489P [0,0,0,1,1,0|2,0,0]=4 143 B10R2.2 O=C1C[C@H]2C=CC[C@H]2O1 M10276880P [0,0,0,1,1,0|0,0,2]=4 144 B10R2.2 O=C1O[C@@H]2CC=C[C@@H]2C1 M10226870P [0,0,0,1,1,0|0,0,2]=4 145 B12R2.1392 O=C(C1CN2CCC1CC2)O M10085303P [0,0,0,1,0,1|1,0,0]=3 146 B12R2.2918 O=C1OC2(CCNCC2)CC1 M10868583P [0,0,0,1,0,1|1,0,0]=3 147 B12R2.2918 O=C1OC2(CNCCC2)CC1 M10129990P [0,0,0,1,0,1|1,0,0]=3 148 B12R2.2899 O=C1CC2CC(CC(C1)C2)=C M10152397P [0,1,0,1,0,0|1,0,1]=4 149 B8R0.8 O=C(O)C(Br)CCCBr M10030963P [0,0,1,0,1,0|2,0,0]=4 150 B8R0.8 O=C(O)C(O)CCSC M10014771P [0,0,1,0,1,0|2,0,0]=4 151 B8R0.8 O=C(O)[C@@H](N)CCCN M10000749P [0,0,1,0,1,0|2,0,0]=4 152 B8R0.8 O=C(O)[C@@H](N)CCCN M10312953P [0,0,1,0,1,0|2,0,0]=4 153 B8R1.8 NCCC1CCCC1 M10080142P [1,0,0,0,1,0|1,0,1]=4 154 B8R1.8 NCCC1CCCC1 M10940920P [1,0,0,0,1,0|1,0,1]=4 155 B8R1.8 O=C=NC1CCCC1 M10065943P [1,0,0,0,1,0|1,0,1]=4 156 B8R1.7 CC([C@@H]1OCCC1)=O M10934991P [0,0,0,0,2,0|2,0,0]=4 157 B8R1.7 CC([C@H]1OCCC1)=O M10733047P [0,0,0,0,2,0|2,0,0]=4 158 B8R1.7 O=C(C1CNCC1)O M10088532P [0,0,0,0,2,0|1,0,0]=3 159 B8R1.7 O=C(C1CNCC1)O M10307067P [0,0,0,0,2,0|1,0,0]=3 160 B8R1.7 O=C([C@@H]1COCC1)O M10797101P [0,0,0,0,2,0|1,0,0]=3 161 B8R1.7 O=C([C@@H]1NCCC1)N M10256539P [0,0,0,0,2,0|2,0,0]=4 162 B8R1.7 O=C([C@H]1COCC1)O M10421829P [0,0,0,0,2,0|1,0,0]=3 163 B10R1.85 OCCN1CCCCCC1 M10166574P [1,0,0,0,0,1|1,0,1]=4