0 B8R0.6 C#CC(O)CCCCC M10021227P [0,0,0,0,0,0|1,0,3]=4 1 B8R0.6 CCCCCC([O-])CC M10026061P [0,0,0,0,0,0|1,0,2]=3 2 B8R0.6 C\C=C\C=C\C(OC)=O M10018450P [0,0,0,0,0,0|0,0,4]=4 3 B8R0.6 O=C(OC)CCCCCl M10129961P [0,0,0,0,0,0|1,0,0]=1 4 B8R0.6 O=C(OCCCC)CCl M10014991P [0,0,0,0,0,0|3,0,0]=3 5 B8R0.6 O=C(OCCCC)CO M10104696P [0,0,0,0,0,0|3,0,0]=3 6 B7R0.1 CCCCCCCI M10061657P [1,0,0,0,0,0|2,0,1]=4 7 B7R0.1 CCOCCOCC M10017029P [1,0,0,0,0,0|3,0,0]=4 8 B7R0.1 COCCOCCN M11203897P [1,0,0,0,0,0|2,0,1]=4 9 B7R0.3 C=CC(NCCC)=O M10192147P [1,0,0,0,0,0|2,0,1]=4 10 B7R0.3 O=C(OC)CCC=O M10126962P [1,0,0,0,0,0|1,0,1]=3 11 B7R0.3 O=C(OC)CCCN M10119950P [1,0,0,0,0,0|1,0,0]=2 12 B7R0.3 O=C(OC)\C=C\OC M10080442P [1,0,0,0,0,0|1,0,2]=4 13 B7R0.3 O=C(OCCC)CBr M10226573P [1,0,0,0,0,0|3,0,0]=4 14 B7R0.4 CC(CCCCBr)=O M10113189P [1,0,0,0,0,0|1,0,0]=2 15 B7R0.4 CC(N)CCCCC M10004600P [1,0,0,0,0,0|1,0,1]=3 16 B7R0.4 CC(OCCOC)=O M10003718P [1,0,0,0,0,0|2,0,0]=3 17 B7R0.4 CCCCCB(O)O M10065828P [1,0,0,0,0,0|1,0,1]=3 18 B7R0.4 CCCCCC(Cl)=O M10005436P [1,0,0,0,0,0|1,0,0]=2 19 B7R0.4 O=C(Cl)OCCCCl M10016962P [1,0,0,0,0,0|3,0,0]=4 20 B7R0.4 O=C(N)COCCCl M10232141P [1,0,0,0,0,0|3,0,0]=4 21 B7R0.4 O=C(N)NCCCC M10195780P [1,0,0,0,0,0|2,0,0]=3 22 B7R0.4 O=C(N)NCCCC M10200467P [1,0,0,0,0,0|2,0,0]=3 23 B7R0.4 O=C(O)CCCC#N M10239045P [1,0,0,0,0,0|1,0,1]=3 24 B7R0.4 O=C(O)CCCCO M10123275P [1,0,0,0,0,0|1,0,0]=2 25 B7R0.4 O=C(O)CCOCC M10062024P [1,0,0,0,0,0|1,0,0]=2 26 B7R0.4 O=C(O)CNCCN M10183221P [1,0,0,0,0,0|2,0,0]=3 27 B7R0.4 O=C(O)COCCC M10276951P [1,0,0,0,0,0|1,0,0]=2 28 B7R0.4 O=C([O-])CCCCO M10233260P [1,0,0,0,0,0|1,0,1]=3 29 B9R0.1 O=C(O)CCCC(OC)=O M10031796P [0,1,0,0,0,0|1,0,1]=3 30 B9R0.5 O=C(OCC)COCCCl M10148096P [0,1,0,0,0,0|2,0,0]=3 31 B9R0.5 O=C(OCC)\C=C\OCC M10082130P [0,1,0,0,0,0|1,0,2]=4 32 B9R0.5 O=C(OCCCC)CC#N M10076065P [0,1,0,0,0,0|2,0,1]=4 33 B9R0.8 CCCCC(Br)C(OC)=O M10064420P [0,1,0,0,0,0|0,0,0]=1 34 B9R0.8 CCCCC(Br)C(OC)=O M10437847P [0,1,0,0,0,0|0,0,0]=1 35 B9R0.8 O=C(OC)[C@@H](N)CCCN M10242020P [0,1,0,0,0,0|1,0,0]=2 36 B9R0.8 [Zn+]OC([C@@H](N)CCSC)=O M10287809P [0,1,0,0,0,0|2,0,0]=3 37 B9R0.24 O=C(OC)CCC(CN)=O M10475373P [0,1,0,0,0,0|1,0,1]=3 38 B9R0.34 CCC(OC(C)COC)=O M10772795P [0,1,0,0,0,0|3,0,0]=4 39 B9R0.34 CCCC(O)CC(OC)=O M10169115P [0,1,0,0,0,0|0,0,0]=1 40 B9R0.34 O=C(OCC)CC(NC)=O M10443263P [0,1,0,0,0,0|2,0,1]=4 41 B9R0.46 C=CC(OCCOCC)=O M10003373P [0,1,0,0,0,0|2,0,1]=4 42 B9R0.46 O=C(OC)CCCCCBr M10129964P [0,1,0,0,0,0|0,0,0]=1 43 B9R0.46 O=C(OC)CCCCCO M10064340P [0,1,0,0,0,0|0,0,0]=1 44 B9R0.47 CC(C(OCCCC)=O)=O M10165130P [0,1,0,0,0,0|2,0,0]=3 45 B9R0.47 C[C@H](O)C(OCCCC)=O M10223932P [0,1,0,0,0,0|2,0,0]=3 46 B9R1.1 N#CC1CCC(CC1)=O M10225432P [0,0,0,1,0,0|2,0,1]=4 47 B9R1.1 O=C1CCC(OC)CC1 M10124180P [0,0,0,1,0,0|2,0,0]=3 48 B9R1.1 O=C1NCC(CO)CC1 M10769348P [0,0,0,1,0,0|2,0,0]=3 49 B9R1.5 O=C1NCCCCC1N M10018058P [0,0,0,1,0,0|3,0,0]=4 50 B9R1.5 O=C1NCCCC[C@H]1N M10204271P [0,0,0,1,0,0|3,0,0]=4 51 B9R1.11 ClCC(N1CCCC1)=O M10165063P [0,0,0,1,0,0|3,0,0]=4 52 B9R1.11 O=C(C1=CCCC1)OC M10190686P [0,0,0,1,0,0|0,0,2]=3 53 B9R1.11 O=C(C1CNCC1)OC M10828155P [0,0,0,1,0,0|1,0,0]=2 54 B9R1.11 O=C(C1OCCC1)OC M10233304P [0,0,0,1,0,0|1,0,0]=2 55 B9R1.50 O=C1NCCCCCC1 M10018116P [0,0,0,1,0,0|1,0,0]=2 56 B9R1.89 COC1CCNCCC1 M10098596P [0,0,0,1,0,0|2,0,1]=4 57 B9R1.118 OC1(CC)CCCCC1 M10038193P [0,0,0,1,0,0|1,0,2]=4 58 B6R0.6 C=CCCCCCl M10208182P [2,0,0,0,0,0|1,0,1]=4 59 B6R0.6 CCCCCCI M10197538P [2,0,0,0,0,0|1,0,1]=4 60 B6R0.6 CCCCC[Mg]Br M10018552P [2,0,0,0,0,0|2,0,0]=4 61 B6R0.6 COBCCCC M10104694P [2,0,0,0,0,0|1,0,0]=3 62 B6R0.6 COCCCCCl M10152312P [2,0,0,0,0,0|1,0,0]=3 63 B6R0.6 OCCCCNC M10247660P [2,0,0,0,0,0|1,0,1]=4 64 B6R0.6 [Li]CCCCCC M10170025P [2,0,0,0,0,0|1,0,1]=4 65 B6R0.1 CC#CC(OC)=O M10179372P [2,0,0,0,0,0|0,0,2]=4 66 B6R0.1 CCCC(NN)=O M10055378P [2,0,0,0,0,0|2,0,0]=4 67 B6R0.1 C\C=C\C(OC)=O M10156893P [2,0,0,0,0,0|0,0,2]=4 68 B6R0.1 O=C(OC)CCN M10060379P [2,0,0,0,0,0|1,0,0]=3 69 B6R0.1 O=C(OC)C[N+]#[C-] M10240268P [2,0,0,0,0,0|1,0,1]=4 70 B6R0.4 C#CCCC(O)=O M10083651P [2,0,0,0,0,0|0,0,2]=4 71 B6R0.4 CC(CCC=C)=O M10003621P [2,0,0,0,0,0|0,0,2]=4 72 B6R0.4 CC(CCCBr)=O M10058337P [2,0,0,0,0,0|1,0,0]=3 73 B6R0.4 CC(NCCO)=O M10005418P [2,0,0,0,0,0|2,0,0]=4 74 B6R0.4 CC(OCCO)=O M10013697P [2,0,0,0,0,0|2,0,0]=4 75 B6R0.4 CC\C=C\C(O)=O M10016889P [2,0,0,0,0,0|0,0,2]=4 76 B6R0.4 O=C(Cl)CCCBr M10023246P [2,0,0,0,0,0|2,0,0]=4 77 B6R0.4 O=C(O)CCC#N M10140304P [2,0,0,0,0,0|1,0,1]=4 78 B6R0.4 O=C(O)CCCCl M10016891P [2,0,0,0,0,0|1,0,0]=3 79 B6R0.4 O=C(O)CCOC M10045190P [2,0,0,0,0,0|1,0,0]=3 80 B6R0.4 O=C(O)CCSC M10017612P [2,0,0,0,0,0|1,0,0]=3 81 B6R0.4 O=C(O)COCC M10016894P [2,0,0,0,0,0|1,0,0]=3 82 B6R0.4 O=[Sn](CCCC)O M10042008P [2,0,0,0,0,0|1,0,0]=3 83 B8R0.4 CCCCCCCCI M10017037P [1,1,0,0,0,0|1,0,1]=4 84 B8R0.4 CCCCC\C=C\C=O M10045247P [1,1,0,0,0,0|1,0,1]=4 85 B8R0.4 CCCCNCCCC M10087124P [1,1,0,0,0,0|1,0,1]=4 86 B8R0.7 CC(O)CCCCCC M10060290P [1,1,0,0,0,0|1,0,1]=4 87 B8R0.7 C[C@@H](O)CCCCCC M10082518P [1,1,0,0,0,0|1,0,1]=4 88 B8R0.7 C[C@H](O)CCCCCC M10084602P [1,1,0,0,0,0|1,0,1]=4 89 B8R0.3 CCCC(Br)C(OC)=O M10159141P [1,1,0,0,0,0|0,0,0]=2 90 B8R0.3 CCC[C@H](N)C(OC)=O M10289219P [1,1,0,0,0,0|0,0,0]=2 91 B8R0.3 O=C(OC)C(Br)CCBr M10437848P [1,1,0,0,0,0|1,0,0]=3 92 B8R0.8 CC(O)C(OCCC)=O M10016208P [1,1,0,0,0,0|2,0,0]=4 93 B8R0.8 C[C@H](N)C(CCCC)=O M10784855P [1,1,0,0,0,0|1,0,0]=3 94 B8R0.8 C[C@H](O)C(OCCC)=O M10271936P [1,1,0,0,0,0|2,0,0]=4 95 B8R0.9 CC(CCC(OC)=O)=O M10016714P [1,1,0,0,0,0|0,0,1]=3 96 B8R0.9 O=C(OC)CCC(Cl)=O M10031630P [1,1,0,0,0,0|1,0,1]=4 97 B8R0.19 CCC(CC(CC)=O)=O M10105284P [1,1,0,0,0,0|1,0,1]=4 98 B8R0.19 O=C(OC)CC(O)CCl M10115529P [1,1,0,0,0,0|1,0,0]=3 99 B8R0.19 O=C(OC)C[C@@H](O)CCl M10538831P [1,1,0,0,0,0|1,0,0]=3 100 B8R0.19 O=C(OC)C[C@H](O)CCl M10508237P [1,1,0,0,0,0|1,0,0]=3 101 B8R0.5 CC(OC(C)=O)COC M10497504P [1,1,0,0,0,0|2,0,0]=4 102 B8R0.28 CC(CCC=C(C)C)=O M10003758P [1,1,0,0,0,0|0,0,2]=4 103 B8R0.28 NC(C)CCCC(C)C M10013728P [1,1,0,0,0,0|1,0,1]=4 104 B8R0.28 O=C(O)CCCN(C)C M10436635P [1,1,0,0,0,0|1,0,0]=3 105 B10R0.3 C=C(C)CCCC(OCC)=O M10239653P [0,2,0,0,0,0|0,0,1]=3 106 B10R0.3 O=C(OCC)CCCC(Cl)=O M10069640P [0,2,0,0,0,0|1,0,1]=4 107 B10R0.3 O=C(OCC)CCNC(C)C M10141409P [0,2,0,0,0,0|1,0,0]=3 108 B10R0.44 CC(CC(CC(OC)=O)=O)=O M10207220P [0,2,0,0,0,0|0,0,2]=4 109 B10R0.44 O=C(O)CC(C)CC(OC)=O M10196883P [0,2,0,0,0,0|1,0,1]=4 110 B10R0.60 O=C(OC)CCC[N+](C)(C)C M10122157P [0,2,0,0,0,0|1,0,0]=3 111 B10R0.1 O=C(OCC)CCCCCO M10070500P [0,2,0,0,0,0|0,0,0]=2 112 B10R0.2 CCCC(O)CC(OCC)=O M10042346P [0,2,0,0,0,0|0,0,0]=2 113 B10R0.2 O=C(OCC)CC(OCC)=N M10042505P [0,2,0,0,0,0|1,0,1]=4 114 B10R0.2 O=C(OCC)CC(OCC)=N M10197563P [0,2,0,0,0,0|1,0,1]=4 115 B10R0.2 O=C(OCC)C[C@@H](O)CC#N M10856685P [0,2,0,0,0,0|1,0,1]=4 116 B10R0.19 CCCCC(Br)C(OCC)=O M10016197P [0,2,0,0,0,0|0,0,0]=2 117 B10R0.19 CCCCC(C(OCC)=O)=O M10080038P [0,2,0,0,0,0|0,0,1]=3 118 B10R0.19 O=C(OCC)C(Br)CCCBr M10207591P [0,2,0,0,0,0|1,0,0]=3 119 B10R0.19 O=C(OCC)[C@@H](N)CCCN M10499010P [0,2,0,0,0,0|1,0,0]=3 120 B10R0.91 CCCCC(OCCCC)=O M10015063P [0,2,0,0,0,0|2,0,0]=4 121 B10R0.46 O=C(OC)[C@H](O)CC(OC)=O M10439509P [0,2,0,0,0,0|1,0,1]=4 122 B10R0.74 C=CC(OCCCCCC)=O M10044707P [0,2,0,0,0,0|1,0,1]=4 123 B10R0.74 CCCCCCCC(NN)=O M10088132P [0,2,0,0,0,0|2,0,0]=4 124 B10R0.74 CCCCCCCC(NO)=O M10104471P [0,2,0,0,0,0|2,0,0]=4 125 B10R0.74 O=C(OC)CCCCCCN M10152761P [0,2,0,0,0,0|0,0,0]=2 126 B8R1.2 CCC1CCCCC1 M10034651P [1,0,0,1,0,0|1,0,1]=4 127 B8R1.2 CCN1CCCCC1 M10020192P [1,0,0,1,0,0|2,0,0]=4 128 B8R1.2 COC1CCNCC1 M10059549P [1,0,0,1,0,0|1,0,1]=4 129 B8R1.2 COC1CCNCC1 M10059550P [1,0,0,1,0,0|1,0,1]=4 130 B8R1.2 OCC1CC=CCC1 M10034671P [1,0,0,1,0,0|2,0,0]=4 131 B8R1.1 O=C1NCC(CN)C1 M10938946P [1,0,0,1,0,0|2,0,0]=4 132 B8R1.1 O=C1OCC(CO)O1 M10023416P [1,0,0,1,0,0|2,0,0]=4 133 B8R1.38 O=C(C1CCC1)NC M10122966P [1,0,0,1,0,0|1,0,0]=3 134 B8R1.38 O=C(C1CCC1)OC M10020178P [1,0,0,1,0,0|0,0,0]=2 135 B8R1.38 O=C(C1NCC1)OC M10199118P [1,0,0,1,0,0|1,0,0]=3 136 B8R1.38 O=C([C@H]1NCC1)OC M10435419P [1,0,0,1,0,0|1,0,0]=3 137 B8R1.50 O=C1C(C(C)CC1)=O M10020173P [1,0,0,1,0,0|2,0,0]=4 138 B8R1.4 CC1CCCC(C)N1 M10012541P [1,0,0,1,0,0|1,0,1]=4 139 B8R1.4 O=C1CN(C)CCC1 M10077248P [1,0,0,1,0,0|1,0,0]=3 140 B8R1.4 O=C1NCCC(O)C1 M10882636P [1,0,0,1,0,0|2,0,0]=4 141 B8R1.4 O=C1NCCN(C)C1 M10224934P [1,0,0,1,0,0|2,0,0]=4 142 B8R1.4 O=C1NCC[C@H](O)C1 M10882637P [1,0,0,1,0,0|2,0,0]=4 143 B8R1.7 CC(C1SCCN1)=O M10425066P [1,0,0,1,0,0|2,0,0]=4 144 B8R1.7 CC([C@@H]1OCCC1)=O M10934991P [1,0,0,1,0,0|1,0,0]=3 145 B8R1.7 CC([C@H]1OCCC1)=O M10733047P [1,0,0,1,0,0|1,0,0]=3 146 B8R1.7 O=C(C1CNCC1)O M10088532P [1,0,0,1,0,0|1,0,0]=3 147 B8R1.7 O=C(C1CNCC1)O M10307067P [1,0,0,1,0,0|1,0,0]=3 148 B8R1.7 O=C([C@@H]1COCC1)O M10797101P [1,0,0,1,0,0|1,0,0]=3 149 B8R1.7 O=C([C@@H]1NCCC1)N M10256539P [1,0,0,1,0,0|2,0,0]=4 150 B8R1.7 O=C([C@H]1COCC1)O M10421829P [1,0,0,1,0,0|1,0,0]=3 151 B10R1.13 O=C1CCC(C(C)C)CC1 M10074366P [0,1,0,1,0,0|1,0,0]=3 152 B10R1.13 O=C1CCN(C(C)C)CC1 M10072037P [0,1,0,1,0,0|2,0,0]=4 153 B10R1.14 O=C(C1CC(CC1)=O)OC M10218340P [0,1,0,1,0,0|0,0,1]=3 154 B10R1.14 O=C(C1CC(N)CC1)OC M10142186P [0,1,0,1,0,0|0,0,0]=2 155 B10R1.14 O=C([C@@H]1NC[C@H](O)C1)OC M10695627P [0,1,0,1,0,0|1,0,0]=3 156 B10R1.14 O=C([C@H]1NC[C@@H](O)C1)OC M10241709P [0,1,0,1,0,0|1,0,0]=3 157 B10R1.150 O=C(OC)CC1CC(C1)=O M11104074P [0,1,0,1,0,0|0,0,1]=3 158 B10R1.11 O=C(C1OCCC1)OCC M10145708P [0,1,0,1,0,0|1,0,0]=3 159 B10R1.11 O=C(OCC)[C@@H]1NCCC1 M10733320P [0,1,0,1,0,0|1,0,0]=3 160 B10R1.11 O=C([C@H]1NCSC1)OCC M10505154P [0,1,0,1,0,0|2,0,0]=4 161 B10R1.19 O=C1N(C=C)CCCCC1 M10041605P [0,1,0,1,0,0|1,0,1]=4 162 B10R1.29 O=C1N(CCCC)CCC1 M10054808P [0,1,0,1,0,0|2,0,0]=4 163 B10R1.15 O=C(C1=CCCCO1)OC M10728961P [0,1,0,1,0,0|0,0,2]=4 164 B10R1.15 O=C(C1=CCOCC1)OC M10660081P [0,1,0,1,0,0|0,0,2]=4 165 B10R1.15 O=C(C1CC=CCC1)OC M10092649P [0,1,0,1,0,0|0,0,1]=3 166 B10R1.15 O=C(C1CCCCO1)OC M10496543P [0,1,0,1,0,0|0,0,0]=2 167 B10R1.15 O=C(C1CCNCC1)OC M10105873P [0,1,0,1,0,0|0,0,0]=2 168 B10R1.15 O=C(C1CNCCC1)OC M10585818P [0,1,0,1,0,0|0,0,0]=2 169 B10R1.15 O=C(C1COCCC1)OC M10157007P [0,1,0,1,0,0|0,0,0]=2 170 B10R1.15 O=C(C1NCCCC1)OC M10217579P [0,1,0,1,0,0|0,0,0]=2 171 B10R1.15 O=C(N1CCNCC1)OC M10254909P [0,1,0,1,0,0|1,0,0]=3 172 B10R1.15 O=C([C@@H]1NCCCC1)OC M11191820P [0,1,0,1,0,0|0,0,0]=2 173 B10R1.15 O=C([C@H]1CNCCC1)OC M10793660P [0,1,0,1,0,0|0,0,0]=2 174 B10R1.159 O=C([C@]1(N)[C@H](C=C)C1)OC M10847527P [0,1,0,1,0,0|0,0,2]=4 175 B10R1.411 O=C(C1(N)CCCC1)OC M10314044P [0,1,0,1,0,0|0,0,0]=2 176 B10R1.27 O=C(OC)C[C@H]1NCCC1 M10847729P [0,1,0,1,0,0|0,0,0]=2 177 B10R1.149 O=C(C1C(CCS1)=O)OC M10046762P [0,1,0,1,0,0|1,0,1]=4 178 B10R1.149 O=C(C1C(O)CCC1)OC M10590550P [0,1,0,1,0,0|0,0,0]=2 179 B10R2.335 O=C1CCC2(CC1)CC2 M10138687P [0,0,0,2,0,0|1,0,0]=3 180 B10R2.2 O=C1C[C@H]2C=CC[C@H]2O1 M10276880P [0,0,0,2,0,0|0,0,2]=4 181 B10R2.2 O=C1O[C@@H]2CC=C[C@@H]2C1 M10226870P [0,0,0,2,0,0|0,0,2]=4 182 B10R2.332 O=C1CC2(CN1)COC2 M11113129P [0,0,0,2,0,0|2,0,0]=4