0 B8R0.1 O=C(OCC)CCCBr M10049666P [0,0,0,0,0,0|3,0,0]=3 1 B8R0.1 O=C(OCC)CCCCl M10051695P [0,0,0,0,0,0|3,0,0]=3 2 B8R0.1 O=C(OCC)CCCN M10097497P [0,0,0,0,0,0|3,0,0]=3 3 B8R0.1 O=C(OCC)COCC M10021200P [0,0,0,0,0,0|3,0,0]=3 4 B8R0.1 O=C(OCC)NCCCl M10089881P [0,0,0,0,0,0|3,0,0]=3 5 B8R0.1 O=C(OCC)\C=C\CBr M10234278P [0,0,0,0,0,0|3,0,1]=4 6 B8R0.1 O=C(OCC=C)CC#N M10123003P [0,0,0,0,0,0|1,0,3]=4 7 B7R0.1 CCCCCCCI M10061657P [1,0,0,0,0,0|2,0,1]=4 8 B7R0.1 CCCCOCCCl M10115661P [1,0,0,0,0,0|1,0,1]=3 9 B7R0.1 CCCSSCCC M10017032P [1,0,0,0,0,0|1,1,0]=3 10 B7R0.1 COCCOCCN M11203897P [1,0,0,0,0,0|2,0,1]=4 11 B7R0.3 C=CC(NCCC)=O M10192147P [1,0,0,0,0,0|1,0,2]=4 12 B7R0.3 O=C(OC)CCCN M10119950P [1,0,0,0,0,0|3,0,0]=4 13 B7R0.3 O=C(OCC=C)CCl M10049025P [1,0,0,0,0,0|1,0,2]=4 14 B7R0.3 O=C(OCCC)CBr M10226573P [1,0,0,0,0,0|1,0,0]=2 15 B7R0.7 C=C(OCC)OCC M10046654P [1,0,0,0,0,0|2,0,0]=3 16 B7R0.7 CCCC(OCCl)=O M10221194P [1,0,0,0,0,0|1,0,0]=2 17 B7R0.7 C\C=C\C(OCC)=O M10116065P [1,0,0,0,0,0|0,0,2]=3 18 B7R0.7 O=C(CCCl)CCCl M10055903P [1,0,0,0,0,0|2,0,0]=3 19 B7R0.7 O=C(OCC)C=[N+]=[N-] M10016667P [1,0,0,0,0,0|2,0,1]=4 20 B7R0.7 O=C(OCC)CCS M10076471P [1,0,0,0,0,0|1,0,0]=2 21 B7R0.7 O=C(OCC)CNN M10098052P [1,0,0,0,0,0|2,0,0]=3 22 B7R0.7 O=C(OCC)\C=C\I M10215517P [1,0,0,0,0,0|1,0,2]=4 23 B7R0.7 O=C(OCCl)OCC M10226366P [1,0,0,0,0,0|2,0,0]=3 24 B7R0.7 O=S(OCC)OCC M10016673P [1,0,0,0,0,0|2,0,0]=3 25 B9R0.4 CC(CC(OCC=C)=O)=O M10027087P [0,1,0,0,0,0|0,0,3]=4 26 B9R0.5 O=C(OCC)COCCCl M10148096P [0,1,0,0,0,0|2,0,0]=3 27 B9R0.5 O=C(OCC)\C=C\OCC M10082130P [0,1,0,0,0,0|2,0,1]=4 28 B9R0.5 O=C(OCCCC)CC#N M10076065P [0,1,0,0,0,0|1,0,1]=3 29 B9R0.18 O=C(CCCCl)CCCCl M10243374P [0,1,0,0,0,0|2,0,0]=3 30 B9R0.18 O=[Sn](CCCC)CCCC M10021207P [0,1,0,0,0,0|2,0,0]=3 31 B9R0.34 O=C(OCC)CC(O)CCl M10115530P [0,1,0,0,0,0|3,0,0]=4 32 B9R0.35 CCCC(C(O)CCC)=O M10012297P [0,1,0,0,0,0|1,0,0]=2 33 B9R0.35 CCCC(C(OCC)=O)=O M10254180P [0,1,0,0,0,0|2,0,0]=3 34 B9R0.35 O=C(OCC)C(Cl)OCC M10222370P [0,1,0,0,0,0|3,0,0]=4 35 B9R0.48 CC(C)CCC(OCC)=O M10189485P [0,1,0,0,0,0|2,0,0]=3 36 B9R0.48 O=C(OCC(C)C)CC#N M10123002P [0,1,0,0,0,0|1,0,1]=3 37 B9R0.48 O=C(OCC)CCN(C)C M10164358P [0,1,0,0,0,0|3,0,0]=4 38 B9R1.8 BrCCC1OCCCO1 M10221972P [0,0,0,1,0,0|1,0,2]=4 39 B9R1.8 CCCC1CCCCC1 M10034652P [0,0,0,1,0,0|2,0,1]=4 40 B9R1.15 O=C1C(OC)COCC1 M10903127P [0,0,0,1,0,0|3,0,0]=4 41 B9R1.15 O=C1NCCCC1OC M10188359P [0,0,0,1,0,0|2,0,0]=3 42 B9R1.27 O=C1C(CC)C(CC1)=O M10021371P [0,0,0,1,0,0|2,0,1]=4 43 B9R1.33 O=C1N(CCC)CCC1 M10054809P [0,0,0,1,0,0|1,0,0]=2 44 B9R1.33 O=C1NCCN1CCN M10086764P [0,0,0,1,0,0|3,0,0]=4 45 B9R1.50 O=C1NCCCCCC1 M10018116P [0,0,0,1,0,0|1,0,0]=2 46 B9R1.73 O=C(C1CCC1)OCC M10133979P [0,0,0,1,0,0|2,0,0]=3 47 B9R1.73 O=C(C1CNC1)OCC M10874942P [0,0,0,1,0,0|3,0,0]=4 48 B6R0.6 CCCCCCI M10197538P [2,0,0,0,0,0|1,0,1]=4 49 B6R0.6 CCCOCCCl M10247973P [2,0,0,0,0,0|1,0,0]=3 50 B6R0.6 [Li]CCCCCC M10170025P [2,0,0,0,0,0|1,0,1]=4 51 B6R0.1 C=CC(OCC)=O M10186126P [2,0,0,0,0,0|0,0,2]=4 52 B6R0.1 CC#CC(OC)=O M10179372P [2,0,0,0,0,0|0,0,2]=4 53 B6R0.1 CCCC(NN)=O M10055378P [2,0,0,0,0,0|2,0,0]=4 54 B6R0.1 C\C=C\C(OC)=O M10156893P [2,0,0,0,0,0|0,0,2]=4 55 B6R0.1 O=C(C#N)OCC M10016649P [2,0,0,0,0,0|1,0,1]=4 56 B6R0.1 O=C(OC)CCN M10060379P [2,0,0,0,0,0|1,0,0]=3 57 B6R0.1 O=C(OC)C[N+]#[C-] M10240268P [2,0,0,0,0,0|1,0,1]=4 58 B6R0.1 O=C(OCC)CBr M10003242P [2,0,0,0,0,0|1,0,0]=3 59 B6R0.1 O=C(OCC)CN M10011247P [2,0,0,0,0,0|1,0,0]=3 60 B6R0.4 CC(CCCBr)=O M10058337P [2,0,0,0,0,0|2,0,0]=4 61 B6R0.4 CC(NCCO)=O M10005418P [2,0,0,0,0,0|2,0,0]=4 62 B6R0.4 CC(OCCO)=O M10013697P [2,0,0,0,0,0|1,0,0]=3 63 B6R0.4 O=C(Cl)OCCCl M10016902P [2,0,0,0,0,0|2,0,0]=4 64 B8R0.4 CCCCCCCCI M10017037P [1,1,0,0,0,0|1,0,1]=4 65 B8R0.4 CCCCNCCCC M10087124P [1,1,0,0,0,0|1,0,1]=4 66 B8R0.4 CCCSSSCCC M10082979P [1,1,0,0,0,0|1,1,0]=4 67 B8R0.4 N#CCCOCCCC M10098879P [1,1,0,0,0,0|0,0,2]=4 68 B8R0.6 CCCCCC([O-])CC M10026061P [1,1,0,0,0,0|1,0,1]=4 69 B8R0.7 CC(O)CCCCCC M10060290P [1,1,0,0,0,0|1,0,1]=4 70 B8R0.7 CC(O)COCCCC M10069007P [1,1,0,0,0,0|0,0,1]=3 71 B8R0.7 C[C@@H](O)CCCCCC M10082518P [1,1,0,0,0,0|1,0,1]=4 72 B8R0.7 C[C@H](O)CCCCCC M10084602P [1,1,0,0,0,0|1,0,1]=4 73 B8R0.3 CCC(C(OCC)=O)=O M10139497P [1,1,0,0,0,0|2,0,0]=4 74 B8R0.3 CCCC(Br)C(OC)=O M10159141P [1,1,0,0,0,0|2,0,0]=4 75 B8R0.3 CCC[C@H](N)C(OC)=O M10289219P [1,1,0,0,0,0|2,0,0]=4 76 B8R0.8 CC(O)C(OCCC)=O M10016208P [1,1,0,0,0,0|0,0,0]=2 77 B8R0.8 C[C@H](N)C(CCCC)=O M10784855P [1,1,0,0,0,0|1,0,0]=3 78 B8R0.8 C[C@H](O)C(OCCC)=O M10271936P [1,1,0,0,0,0|0,0,0]=2 79 B8R0.9 C=CC(OCC(O)C)=O M10024755P [1,1,0,0,0,0|0,0,2]=4 80 B8R0.19 CCC(CC(CC)=O)=O M10105284P [1,1,0,0,0,0|1,0,1]=4 81 B8R0.5 CC(N)CC(OCC)=O M10070569P [1,1,0,0,0,0|0,0,0]=2 82 B8R0.5 C[C@H](O)CC(OCC)=O M10290748P [1,1,0,0,0,0|0,0,0]=2 83 B8R0.5 O=C(OCC)CC(N)=S M10125318P [1,1,0,0,0,0|1,0,1]=4 84 B8R0.30 CP(OCC)(OCC)=O M10018298P [1,1,0,0,0,0|2,0,0]=4 85 B10R0.6 CC(CC(OCCOC)=O)=O M10175460P [0,2,0,0,0,0|0,0,1]=3 86 B10R0.32 CC(C)CC(C(OCC)=O)=O M10192294P [0,2,0,0,0,0|2,0,0]=4 87 B10R0.1 O=C(OCC)CCCCCO M10070500P [0,2,0,0,0,0|2,0,0]=4 88 B10R0.2 CCCC(O)CC(OCC)=O M10042346P [0,2,0,0,0,0|2,0,0]=4 89 B10R0.2 O=C(OC(COC)=O)COC M10161245P [0,2,0,0,0,0|1,0,1]=4 90 B10R0.3 C=C(C)CCCC(OCC)=O M10239653P [0,2,0,0,0,0|2,0,0]=4 91 B10R0.3 O=C(OCC)CCNC(C)C M10141409P [0,2,0,0,0,0|2,0,0]=4 92 B10R0.19 CCCCC(Br)C(OCC)=O M10016197P [0,2,0,0,0,0|2,0,0]=4 93 B10R0.19 CCCCC(C(OCC)=O)=O M10080038P [0,2,0,0,0,0|1,0,1]=4 94 B10R0.19 O=C(OCC)C(Br)CCCBr M10207591P [0,2,0,0,0,0|2,0,0]=4 95 B10R0.19 O=C(OCC)[C@@H](N)CCCN M10499010P [0,2,0,0,0,0|2,0,0]=4 96 B10R0.91 CCCCC(OCCCC)=O M10015063P [0,2,0,0,0,0|0,0,0]=2 97 B10R0.78 CCCCC(OCC(C)C)=O M10116460P [0,2,0,0,0,0|0,0,0]=2 98 B8R1.2 CCC1CCCCC1 M10034651P [1,0,0,1,0,0|1,0,1]=4 99 B8R1.2 COC1CCC=CO1 M11192011P [1,0,0,1,0,0|1,0,1]=4 100 B8R1.2 OCC1CCCCO1 M10002840P [1,0,0,1,0,0|1,0,1]=4 101 B8R1.1 O=C1N[C@@H](CO)CC1 M10421051P [1,0,0,1,0,0|2,0,0]=4 102 B8R1.1 O=C1N[C@H](CBr)CC1 M10447477P [1,0,0,1,0,0|2,0,0]=4 103 B8R1.1 O=C1N[C@H](CN)CC1 M10768385P [1,0,0,1,0,0|2,0,0]=4 104 B8R1.1 O=C1N[C@H](CO)CC1 M10148902P [1,0,0,1,0,0|2,0,0]=4 105 B8R1.1 O=C1OCC(CO)O1 M10023416P [1,0,0,1,0,0|2,0,0]=4 106 B8R1.1 O=C1O[C@H](CO)CC1 M10218224P [1,0,0,1,0,0|1,0,0]=3 107 B8R1.38 O=C(C1CCC1)NC M10122966P [1,0,0,1,0,0|2,0,0]=4 108 B8R1.38 O=C(C1CCC1)OC M10020178P [1,0,0,1,0,0|2,0,0]=4 109 B8R1.4 O=C1CN(C)CCC1 M10077248P [1,0,0,1,0,0|1,0,0]=3 110 B8R1.4 O=C1NCCC(O)C1 M10882636P [1,0,0,1,0,0|2,0,0]=4 111 B8R1.4 O=C1NCCN(C)C1 M10224934P [1,0,0,1,0,0|2,0,0]=4 112 B8R1.4 O=C1NCC[C@H](O)C1 M10882637P [1,0,0,1,0,0|2,0,0]=4 113 B8R1.18 O=C1CC(C)C(C)C1 M10207594P [1,0,0,1,0,0|0,0,0]=2 114 B8R1.37 N#CCC(C1CC1)=O M10706279P [1,0,0,1,0,0|1,0,1]=4 115 B10R1.61 O=C1C(C(C)=O)CCCC1 M10022320P [0,1,0,1,0,0|1,0,1]=4 116 B10R1.11 O=C(C1OCCC1)OCC M10145708P [0,1,0,1,0,0|1,0,0]=3 117 B10R1.11 O=C(OCC)[C@@H]1NCCC1 M10733320P [0,1,0,1,0,0|2,0,0]=4 118 B10R1.29 O=C1N(CCCC)CCC1 M10054808P [0,1,0,1,0,0|1,0,0]=3 119 B10R1.138 CCCC(OCC1OC1)=O M10044259P [0,1,0,1,0,0|0,0,0]=2 120 B10R1.138 CCCC(OC[C@H]1OC1)=O M10409414P [0,1,0,1,0,0|0,0,0]=2 121 B10R1.34 O[C@@H]1[C@@H]([C@@H](CO)OC1=O)O M10193842P [0,1,0,1,0,0|2,0,0]=4 122 B10R1.140 O=C(C1CC(O)C1)OCC M10147947P [0,1,0,1,0,0|2,0,0]=4 123 B10R1.140 O=C([C@H]1C[C@@H](N)C1)OCC M10089814P [0,1,0,1,0,0|2,0,0]=4 124 B10R2.2 O=C1C[C@H]2C=CC[C@H]2O1 M10276880P [0,0,0,2,0,0|0,0,2]=4 125 B10R2.2 O=C1O[C@@H]2CC=C[C@@H]2C1 M10226870P [0,0,0,2,0,0|0,0,2]=4