0 B8R1.4 CC1CCCC(C)N1 M10012541P [0,0,0,0,0,0|2,0,1]=3 1 B8R1.4 CC1OC(C)CNC1 M10005400P [0,0,0,0,0,0|3,0,1]=4 2 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 M10791340P [0,0,0,0,0,0|3,0,1]=4 3 B8R1.4 O=C1CC(COC1)=O M10331423P [0,0,0,0,0,0|2,0,1]=3 4 B8R1.4 O=C1CC(CSC1)=O M10096924P [0,0,0,0,0,0|2,0,1]=3 5 B8R1.4 O=C1CN(C)CCC1 M10077248P [0,0,0,0,0,0|1,0,0]=1 6 B8R1.4 O=C1NCCC(O)C1 M10882636P [0,0,0,0,0,0|2,0,0]=2 7 B8R1.4 O=C1NCCN(C)C1 M10224934P [0,0,0,0,0,0|2,0,0]=2 8 B8R1.4 O=C1NCC[C@H](O)C1 M10882637P [0,0,0,0,0,0|2,0,0]=2 9 B8R1.4 OC1CC(N)CCC1 M10096701P [0,0,0,0,0,0|1,0,2]=3 10 B8R1.4 O[C@H]1C[C@@H](N)CCC1 M10099944P [0,0,0,0,0,0|1,0,2]=3 11 B7R1.3 BrC1=CCOCC1 M10183929P [1,0,0,0,0,0|2,0,1]=4 12 B7R1.3 CC1CNCCO1 M10198590P [1,0,0,0,0,0|2,0,0]=3 13 B7R1.3 CN1CCNCC1 M10003582P [1,0,0,0,0,0|2,0,1]=4 14 B7R1.3 C[C@@H]1NCCOC1 M11094562P [1,0,0,0,0,0|2,0,0]=3 15 B7R1.3 C[C@H]1CNCCC1 M10841057P [1,0,0,0,0,0|1,0,0]=2 16 B7R1.3 C[C@H]1CNCCO1 M10456369P [1,0,0,0,0,0|2,0,0]=3 17 B7R1.3 C[C@H]1CNCCO1 M11103989P [1,0,0,0,0,0|2,0,0]=3 18 B7R1.3 C[C@H]1NCCCC1 M10035322P [1,0,0,0,0,0|1,0,1]=3 19 B7R1.3 C[C@H]1NCCOC1 M10088620P [1,0,0,0,0,0|2,0,0]=3 20 B7R1.3 C[C@H]1NCCOC1 M10456366P [1,0,0,0,0,0|2,0,0]=3 21 B7R1.3 ClC1=CCCCC1 M10208207P [1,0,0,0,0,0|1,0,1]=3 22 B7R1.3 ClC1CCCCO1 M10051478P [1,0,0,0,0,0|2,0,1]=4 23 B7R1.3 ClC1CCNCC1 M10072346P [1,0,0,0,0,0|2,0,1]=4 24 B7R1.3 NC1CCCCC1 M10067868P [1,0,0,0,0,0|1,0,1]=3 25 B7R1.3 NC1CCCCC1 M10164877P [1,0,0,0,0,0|1,0,1]=3 26 B7R1.3 NC1CCCCC1 M10192982P [1,0,0,0,0,0|1,0,1]=3 27 B7R1.3 NC1CCCCC1 M10222576P [1,0,0,0,0,0|1,0,1]=3 28 B7R1.3 NC1CCNCC1 M10227998P [1,0,0,0,0,0|2,0,1]=4 29 B7R1.3 NC1CCSCC1 M10172428P [1,0,0,0,0,0|2,0,1]=4 30 B7R1.3 NC1CCSCC1 M10842884P [1,0,0,0,0,0|2,0,1]=4 31 B7R1.3 NC1CNCCC1 M10274112P [1,0,0,0,0,0|2,0,0]=3 32 B7R1.3 NN1CCCCC1 M10390507P [1,0,0,0,0,0|2,0,0]=3 33 B7R1.3 N[C@@H]1CNCCC1 M10481372P [1,0,0,0,0,0|2,0,0]=3 34 B7R1.3 N[C@@H]1COCCC1 M10121266P [1,0,0,0,0,0|2,0,0]=3 35 B7R1.3 N[C@@H]1COCCC1 M11098623P [1,0,0,0,0,0|2,0,0]=3 36 B7R1.3 N[C@H]1CNCCC1 M10725270P [1,0,0,0,0,0|2,0,0]=3 37 B7R1.3 N[C@H]1COCCC1 M11098624P [1,0,0,0,0,0|2,0,0]=3 38 B7R1.3 O=C1CCNCC1 M10246538P [1,0,0,0,0,0|1,0,0]=2 39 B7R1.3 O=C1CCNCC1 M10247465P [1,0,0,0,0,0|1,0,0]=2 40 B7R1.3 O=C1CCNCC1 M10857977P [1,0,0,0,0,0|1,0,0]=2 41 B7R1.3 O=C1CCOCC1 M10179636P [1,0,0,0,0,0|1,0,0]=2 42 B7R1.3 O=C1CNCCC1 M10342345P [1,0,0,0,0,0|1,0,0]=2 43 B7R1.3 O=C1NCCCN1 M10037131P [1,0,0,0,0,0|2,0,0]=3 44 B7R1.3 O=C1OCCOC1 M10050467P [1,0,0,0,0,0|2,0,0]=3 45 B7R1.3 O=S1CCCCC1 M10067807P [1,0,0,0,0,0|1,0,0]=2 46 B7R1.3 OC1CNCCO1 M10475029P [1,0,0,0,0,0|3,0,0]=4 47 B7R1.3 OC1COCOC1 M10192268P [1,0,0,0,0,0|3,0,0]=4 48 B7R1.3 OC1COCOC1 M10508011P [1,0,0,0,0,0|3,0,0]=4 49 B7R1.3 ON1CCCCC1 M10066414P [1,0,0,0,0,0|1,0,1]=3 50 B9R1.2 NCC1CN(C)CCC1 M10132236P [0,1,0,0,0,0|2,0,0]=3 51 B9R1.2 OC1CN(CC)CCC1 M10123727P [0,1,0,0,0,0|1,0,2]=4 52 B9R1.34 O=C1CC(C)NC(C)C1 M11091903P [0,1,0,0,0,0|1,0,0]=2 53 B9R1.34 O=C1CC(CC(C)C1)=O M10062153P [0,1,0,0,0,0|0,0,1]=2 54 B9R1.66 NC1CC(F)(F)CCC1 M10071231P [0,1,0,0,0,0|2,0,1]=4 55 B9R1.66 O=C1CC(C)(C)OCC1 M10028787P [0,1,0,0,0,0|1,0,0]=2 56 B9R1.66 O=C1CC(C)(O)CCO1 M12271779P [0,1,0,0,0,0|1,0,0]=2 57 B9R1.69 O=C1C(N)CCC(N1)=O M10042789P [0,1,0,0,0,0|2,0,1]=4 58 B9R1.69 O=C1C(N)CCC(N1)=O M11187066P [0,1,0,0,0,0|2,0,1]=4 59 B7R0.2 CC(CN(C)C)CCl M10191746P [0,0,1,0,0,0|3,0,0]=4 60 B7R0.2 CC(N)CC(C)CC M10003248P [0,0,1,0,0,0|1,0,1]=3 61 B7R0.2 CC(N)CC(OC)=O M10083532P [0,0,1,0,0,0|2,0,0]=3 62 B7R0.2 CC(O)CC(OC)=O M10031579P [0,0,1,0,0,0|2,0,0]=3 63 B7R0.2 C[C@@H](N)CC(OC)=O M10650212P [0,0,1,0,0,0|2,0,0]=3 64 B7R0.2 O=C(Cl)OC(C)CC M10149751P [0,0,1,0,0,0|2,0,0]=3 65 B7R0.2 O=C(NC(C)C)CBr M10460688P [0,0,1,0,0,0|2,0,0]=3 66 B7R0.2 O=C(NC(C)C)CN M10428027P [0,0,1,0,0,0|2,0,0]=3 67 B7R0.2 O=C(O)CC(O)CN M10190010P [0,0,1,0,0,0|3,0,0]=4 68 B7R0.2 O=C(O)C[C@@H](O)CN M10100168P [0,0,1,0,0,0|3,0,0]=4 69 B7R0.2 O=C(OC(C)C)CCl M10003254P [0,0,1,0,0,0|2,0,0]=3 70 B7R0.2 OCC(OC(C)C)=O M10016659P [0,0,1,0,0,0|2,0,0]=3 71 B7R0.4 CC(CCCCBr)=O M10113189P [0,0,1,0,0,0|1,0,0]=2 72 B7R0.4 CC(N)CCCCC M10004600P [0,0,1,0,0,0|1,0,1]=3 73 B7R0.4 CC(OCCOC)=O M10003718P [0,0,1,0,0,0|2,0,0]=3 74 B7R0.4 CCCCCB(O)O M10065828P [0,0,1,0,0,0|2,0,1]=4 75 B7R0.4 CCCCCC(Cl)=O M10005436P [0,0,1,0,0,0|1,0,0]=2 76 B7R0.4 O=C(Cl)OCCCCl M10016962P [0,0,1,0,0,0|3,0,0]=4 77 B7R0.4 O=C(N)COCCCl M10232141P [0,0,1,0,0,0|3,0,0]=4 78 B7R0.4 O=C(N)NCCCC M10195780P [0,0,1,0,0,0|2,0,0]=3 79 B7R0.4 O=C(N)NCCCC M10200467P [0,0,1,0,0,0|2,0,0]=3 80 B7R0.4 O=C(O)CCCC#N M10239045P [0,0,1,0,0,0|2,0,1]=4 81 B7R0.4 O=C(O)CCCCO M10123275P [0,0,1,0,0,0|2,0,0]=3 82 B7R0.4 O=C(O)CCOCC M10062024P [0,0,1,0,0,0|2,0,0]=3 83 B7R0.4 O=C(O)CNCCN M10183221P [0,0,1,0,0,0|3,0,0]=4 84 B7R0.4 O=C(O)COCCC M10276951P [0,0,1,0,0,0|2,0,0]=3 85 B7R0.4 O=C([O-])CCCCO M10233260P [0,0,1,0,0,0|2,0,0]=3 86 B7R0.7 C=C(OCC)OCC M10046654P [0,0,1,0,0,0|3,0,0]=4 87 B7R0.7 CCCC(OCCl)=O M10221194P [0,0,1,0,0,0|2,0,0]=3 88 B7R0.7 C\C=C\C(OCC)=O M10116065P [0,0,1,0,0,0|1,0,2]=4 89 B7R0.7 O=C(CCCl)CCCl M10055903P [0,0,1,0,0,0|2,0,0]=3 90 B7R0.7 O=C(OCC)CCS M10076471P [0,0,1,0,0,0|2,0,0]=3 91 B7R0.7 O=C(OCC)CNN M10098052P [0,0,1,0,0,0|3,0,0]=4 92 B7R0.7 O=C(OCCl)OCC M10226366P [0,0,1,0,0,0|3,0,0]=4 93 B7R0.7 O=S(OCC)OCC M10016673P [0,0,1,0,0,0|3,0,0]=4 94 B9R2.25 O=C1OC(C2CC12)=O M10078252P [0,0,0,1,0,0|2,0,1]=4 95 B7R1.2 CC1OS(OC1)=O M10031271P [0,0,0,0,1,0|3,0,0]=4 96 B7R1.2 CN1CC(Br)CC1 M10116614P [0,0,0,0,1,0|2,0,1]=4 97 B7R1.2 CN1C[C@H](O)CC1 M10655228P [0,0,0,0,1,0|1,0,2]=4 98 B7R1.2 N[C@H]1COC(C1)=O M10174878P [0,0,0,0,1,0|2,0,0]=3 99 B7R1.2 O=C1CC(CC1)=O M10058164P [0,0,0,0,1,0|1,0,1]=3 100 B7R1.2 O=C1CN(C)CC1 M10472463P [0,0,0,0,1,0|1,0,0]=2 101 B7R1.2 O=C1NC(CC1)=O M10004579P [0,0,0,0,1,0|2,0,1]=4 102 B7R1.2 O=C1OC(C)=CC1 M10015036P [0,0,0,0,1,0|1,0,2]=4 103 B7R1.2 O=C1OC(CO1)C M10003516P [0,0,0,0,1,0|2,0,0]=3 104 B7R1.2 O=C1OCC(Cl)O1 M10058922P [0,0,0,0,1,0|3,0,0]=4 105 B7R1.2 O=C1OCC(F)O1 M10694293P [0,0,0,0,1,0|3,0,0]=4 106 B7R1.2 O=C1OC[C@H](C)O1 M10258723P [0,0,0,0,1,0|2,0,0]=3 107 B7R1.2 O=C1OC[C@H](O)C1 M10299052P [0,0,0,0,1,0|2,0,0]=3 108 B7R1.2 OC1CC(N)CC1 M10107887P [0,0,0,0,1,0|1,0,2]=4 109 B7R1.2 OC1CC(N)CC1 M10126049P [0,0,0,0,1,0|1,0,2]=4 110 B7R1.2 O[C@@H]1C[C@H](N)CC1 M10095935P [0,0,0,0,1,0|1,0,2]=4 111 B7R1.2 O[C@H]1C[C@@H](N)CC1 M10127739P [0,0,0,0,1,0|1,0,2]=4 112 B7R1.2 O[C@H]1C[C@@H](N)CC1 M10127951P [0,0,0,0,1,0|1,0,2]=4 113 B7R1.4 C=C1CCOC1=O M10013811P [0,0,0,0,1,0|1,0,2]=4 114 B7R1.4 CC1=CCCC1=O M10027183P [0,0,0,0,1,0|0,0,2]=3 115 B7R1.4 O=C1C(Br)CCC1 M10172483P [0,0,0,0,1,0|1,0,0]=2 116 B7R1.4 O=C1C(C)CCC1 M10027182P [0,0,0,0,1,0|0,0,0]=1 117 B7R1.4 O=C1C(Cl)CCC1 M10018599P [0,0,0,0,1,0|1,0,0]=2 118 B7R1.4 O=C1NCCC1O M10135336P [0,0,0,0,1,0|2,0,0]=3 119 B7R1.4 O=C1NCC[C@@H]1N M10060287P [0,0,0,0,1,0|2,0,0]=3 120 B7R1.4 O=C1NCC[C@@H]1N M10288485P [0,0,0,0,1,0|2,0,0]=3 121 B7R1.4 O=C1NCC[C@H]1O M10468150P [0,0,0,0,1,0|2,0,0]=3 122 B7R1.4 O[C@@H]1[C@@H](N)CCC1 M10430095P [0,0,0,0,1,0|1,0,2]=4 123 B7R1.4 O[C@@H]1[C@H](N)CCC1 M10841437P [0,0,0,0,1,0|1,0,2]=4 124 B7R1.4 O[C@H]1[C@@H](N)CCC1 M10743008P [0,0,0,0,1,0|1,0,2]=4 125 B7R1.4 O[C@H]1[C@H](N)CCC1 M10215039P [0,0,0,0,1,0|1,0,2]=4 126 B7R1.4 O[C@H]1[C@H](N)CCC1 M10430096P [0,0,0,0,1,0|1,0,2]=4 127 B7R1.4 O[C@H]1[C@H](O)CCC1 M10192705P [0,0,0,0,1,0|1,0,2]=4 128 B6R0.1 C=CC(O)CCC M10066392P [1,0,1,0,0,0|1,0,1]=4 129 B6R0.1 CC(OC)COC M10110559P [1,0,1,0,0,0|2,0,0]=4 130 B6R0.1 CCCC(C)C=O M10004549P [1,0,1,0,0,0|0,0,0]=2 131 B6R0.1 CCCC(NN)=O M10055378P [1,0,1,0,0,0|2,0,0]=4 132 B6R0.1 CCC[C@H](N)CO M10176483P [1,0,1,0,0,0|1,0,1]=4 133 B6R0.1 NCC(C)CCN M10137967P [1,0,1,0,0,0|2,0,0]=4 134 B6R0.1 O=C(OC)CCN M10060379P [1,0,1,0,0,0|2,0,0]=4 135 B6R0.1 O=C(OCC)CBr M10003242P [1,0,1,0,0,0|2,0,0]=4 136 B6R0.1 O=C(OCC)CN M10011247P [1,0,1,0,0,0|2,0,0]=4 137 B6R0.2 CC(CC(C)=O)=O M10123299P [1,0,1,0,0,0|1,0,1]=4 138 B6R0.2 CC(N)CC(C)C M10444558P [1,0,1,0,0,0|1,0,1]=4 139 B6R0.2 CC(N)CC(O)=O M10187780P [1,0,1,0,0,0|2,0,0]=4 140 B6R0.2 CC(O)CC([O-])=O M10005658P [1,0,1,0,0,0|2,0,0]=4 141 B6R0.2 CC(OC(Br)C)=O M10242154P [1,0,1,0,0,0|2,0,0]=4 142 B6R0.2 C[C@@H](O)CC(O)=O M10016803P [1,0,1,0,0,0|2,0,0]=4 143 B6R0.2 C[C@@H](O)CC([O-])=O M10125260P [1,0,1,0,0,0|2,0,0]=4 144 B6R0.2 C[C@H](N)CC(O)=O M10057573P [1,0,1,0,0,0|2,0,0]=4 145 B6R0.2 C[C@H](N)CC(O)=O M10302309P [1,0,1,0,0,0|2,0,0]=4 146 B6R0.2 C[C@H](O)CC(O)=O M10084600P [1,0,1,0,0,0|2,0,0]=4 147 B6R0.2 C[S+](CC([O-])=O)C M10065707P [1,0,1,0,0,0|2,0,0]=4 148 B6R0.2 NC(C)CC(C)C M10003493P [1,0,1,0,0,0|1,0,1]=4 149 B6R0.2 O=C([O-])CN(C)C M10154757P [1,0,1,0,0,0|2,0,0]=4 150 B6R0.4 CC(C)CCC=O M10027096P [1,0,1,0,0,0|0,0,0]=2 151 B6R0.4 CC(C)CCCBr M10016880P [1,0,1,0,0,0|1,0,0]=3 152 B6R0.4 CC(C)CCCO M10016881P [1,0,1,0,0,0|0,0,1]=3 153 B6R0.4 CC(C)CN=C=O M10037383P [1,0,1,0,0,0|1,0,1]=4 154 B6R0.4 CC(CCC=C)=O M10003621P [1,0,1,0,0,0|0,0,2]=4 155 B6R0.4 CC(CCCBr)=O M10058337P [1,0,1,0,0,0|1,0,0]=3 156 B6R0.4 CC(NCCCl)C M10088269P [1,0,1,0,0,0|2,0,0]=4 157 B6R0.4 CC(NCCO)=O M10005418P [1,0,1,0,0,0|2,0,0]=4 158 B6R0.4 CC(O)CCCO M10016886P [1,0,1,0,0,0|1,0,1]=4 159 B6R0.4 CC(OCCBr)C M10275026P [1,0,1,0,0,0|2,0,0]=4 160 B6R0.4 CC(OCCO)=O M10013697P [1,0,1,0,0,0|2,0,0]=4 161 B6R0.4 CN(C)CCCBr M10273573P [1,0,1,0,0,0|2,0,0]=4 162 B6R0.4 CN(CCCCl)C M10003627P [1,0,1,0,0,0|2,0,0]=4 163 B6R0.4 O=C(Cl)CCCBr M10023246P [1,0,1,0,0,0|2,0,0]=4 164 B6R0.4 O=C(O)CCCCl M10016891P [1,0,1,0,0,0|2,0,0]=4 165 B6R0.4 O=C(O)CCOC M10045190P [1,0,1,0,0,0|2,0,0]=4 166 B6R0.4 O=C(O)CCSC M10017612P [1,0,1,0,0,0|2,0,0]=4 167 B6R0.4 O=C(O)COCC M10016894P [1,0,1,0,0,0|2,0,0]=4 168 B6R0.4 O=NOCC(C)C M10013695P [1,0,1,0,0,0|2,0,0]=4 169 B6R0.4 O=[Sn](CCCC)O M10042008P [1,0,1,0,0,0|2,0,0]=4 170 B6R0.6 C=CCCCCCl M10208182P [1,0,1,0,0,0|1,0,1]=4 171 B6R0.6 CCCCCCI M10197538P [1,0,1,0,0,0|1,0,1]=4 172 B6R0.6 CCCCC[Mg]Br M10018552P [1,0,1,0,0,0|2,0,0]=4 173 B6R0.6 CCCOCCCl M10247973P [1,0,1,0,0,0|2,0,0]=4 174 B6R0.6 COBCCCC M10104694P [1,0,1,0,0,0|2,0,0]=4 175 B6R0.6 COCCCCCl M10152312P [1,0,1,0,0,0|2,0,0]=4 176 B6R0.6 OCCCCNC M10247660P [1,0,1,0,0,0|2,0,0]=4 177 B6R0.6 [Li]CCCCCC M10170025P [1,0,1,0,0,0|1,0,1]=4 178 B6R1.1 C1CCCCS1 M10033603P [2,0,0,0,0,0|1,0,0]=3 179 B6R1.1 C1CCCNN1 M10012589P [2,0,0,0,0,0|2,0,0]=4 180 B6R1.1 N1CCCCC1 M10083674P [2,0,0,0,0,0|1,0,0]=3 181 B6R1.1 N1CCNCC1 M10005439P [2,0,0,0,0,0|2,0,0]=4 182 B6R1.1 N1CCSCC1 M10082418P [2,0,0,0,0,0|2,0,0]=4 183 B6R1.1 O1CCSCC1 M10139809P [2,0,0,0,0,0|2,0,0]=4 184 B6R1.1 [NH2+]1CCCCC1 M10064261P [2,0,0,0,0,0|1,0,0]=3 185 B8R0.2 CCC(C)C(C([O-])=O)=O M10422004P [0,1,1,0,0,0|1,0,1]=4 186 B8R0.2 CC[C@@H](C)[C@H](N)C(O)=O M10031965P [0,1,1,0,0,0|1,0,0]=3 187 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O M10115315P [0,1,1,0,0,0|1,0,0]=3 188 B8R0.2 C[C@H](O)[C@@H](N)C(OC)=O M10315071P [0,1,1,0,0,0|2,0,0]=4 189 B8R0.2 N[C@H](C(C)C)C(OC)=O M10013347P [0,1,1,0,0,0|1,0,0]=3 190 B8R0.5 CC(N)CC(OCC)=O M10070569P [0,1,1,0,0,0|1,0,0]=3 191 B8R0.5 CC(OC(C)=O)COC M10497504P [0,1,1,0,0,0|1,0,0]=3 192 B8R0.5 C[C@H](O)CC(OCC)=O M10290748P [0,1,1,0,0,0|1,0,0]=3 193 B8R0.19 CCC(CC(CC)=O)=O M10105284P [0,1,1,0,0,0|1,0,1]=4 194 B8R0.19 O=C(OC)CC(O)CCl M10115529P [0,1,1,0,0,0|2,0,0]=4 195 B8R0.19 O=C(OC)C[C@@H](O)CCl M10538831P [0,1,1,0,0,0|2,0,0]=4 196 B8R0.19 O=C(OC)C[C@H](O)CCl M10508237P [0,1,1,0,0,0|2,0,0]=4 197 B8R0.23 CC(C(CC(C)C)=C)=O M10028564P [0,1,1,0,0,0|1,0,1]=4 198 B8R0.23 CC(C(CC(C)C)=O)=O M10125906P [0,1,1,0,0,0|0,0,1]=3 199 B8R0.23 CC(C(NC(C)C)=O)=C M10126221P [0,1,1,0,0,0|1,0,1]=4 200 B8R0.23 CC(C)CC(C([O-])=O)=O M10616782P [0,1,1,0,0,0|1,0,1]=4 201 B8R0.23 C[C@@H](N)C(OC(C)C)=O M10240042P [0,1,1,0,0,0|1,0,0]=3 202 B8R0.24 O=C(OC(C)(C)C)CN M10092202P [0,1,1,0,0,0|2,0,0]=4 203 B8R0.24 O=C(OC(C)(C)C)CO M10254830P [0,1,1,0,0,0|2,0,0]=4 204 B8R0.24 O=C(OC(C)(C)C)NC M10140415P [0,1,1,0,0,0|2,0,0]=4 205 B8R0.34 CC(CC(SC)(C)C)=O M10180522P [0,1,1,0,0,0|1,0,0]=3 206 B8R0.6 CCCCCC([O-])CC M10026061P [0,1,1,0,0,0|0,0,2]=4 207 B8R0.6 O=C(OC)CCCCCl M10129961P [0,1,1,0,0,0|1,0,0]=3 208 B8R0.6 O=C(OCCCC)CCl M10014991P [0,1,1,0,0,0|1,0,0]=3 209 B8R0.6 O=C(OCCCC)CO M10104696P [0,1,1,0,0,0|1,0,0]=3 210 B8R0.7 BrCCCCOC(C)=O M10065998P [0,1,1,0,0,0|1,0,0]=3 211 B8R0.7 C#CCCCCC(O)=O M10212111P [0,1,1,0,0,0|1,0,1]=4 212 B8R0.7 C=CCCCCC(O)=O M10027121P [0,1,1,0,0,0|1,0,1]=4 213 B8R0.7 CC(C)CCCCCO M12278016P [0,1,1,0,0,0|0,0,2]=4 214 B8R0.7 CC(O)CCCCCC M10060290P [0,1,1,0,0,0|0,0,2]=4 215 B8R0.7 CC(O)COCCCC M10069007P [0,1,1,0,0,0|0,0,2]=4 216 B8R0.7 CCCC\C=C\C(O)=O M10158440P [0,1,1,0,0,0|1,0,1]=4 217 B8R0.7 CSCCCOC(C)=O M10144018P [0,1,1,0,0,0|1,0,0]=3 218 B8R0.7 C[C@@H](O)CCCCCC M10082518P [0,1,1,0,0,0|0,0,2]=4 219 B8R0.7 C[C@H](O)CCCCCC M10084602P [0,1,1,0,0,0|0,0,2]=4 220 B8R0.7 O=C(Cl)CCCCCBr M10176911P [0,1,1,0,0,0|1,0,0]=3 221 B8R0.7 O=C(Cl)OCCCCC M10017366P [0,1,1,0,0,0|1,0,0]=3 222 B8R0.7 O=C(Cl)OCCOCC M10016994P [0,1,1,0,0,0|2,0,0]=4 223 B8R0.7 O=C(O)CCCCCN M10196151P [0,1,1,0,0,0|1,0,0]=3 224 B8R0.7 O=C(O)COCCCC M10044886P [0,1,1,0,0,0|1,0,0]=3 225 B8R0.7 O=C(O)COCCOC M10140131P [0,1,1,0,0,0|2,0,0]=4 226 B8R0.8 O=C(O)C(Br)CCCBr M10030963P [0,1,1,0,0,0|2,0,0]=4 227 B8R0.8 O=C(O)C(O)CCSC M10014771P [0,1,1,0,0,0|2,0,0]=4 228 B8R0.8 O=C(O)[C@@H](N)CCCN M10000749P [0,1,1,0,0,0|2,0,0]=4 229 B8R0.8 O=C(O)[C@@H](N)CCCN M10312953P [0,1,1,0,0,0|2,0,0]=4 230 B8R0.8 O=C([O-])C(O)CCSC M10066845P [0,1,1,0,0,0|2,0,0]=4 231 B8R0.9 CC(CCC(OC)=O)=O M10016714P [0,1,1,0,0,0|1,0,1]=4 232 B8R0.28 CC(CCC=C(C)C)=O M10003758P [0,1,1,0,0,0|0,0,2]=4 233 B8R0.28 NC(C)CCCC(C)C M10013728P [0,1,1,0,0,0|1,0,1]=4 234 B8R0.28 O=C(O)CCCN(C)C M10436635P [0,1,1,0,0,0|1,0,0]=3 235 B8R0.1 O=C(OCC)CCCBr M10049666P [0,1,1,0,0,0|1,0,0]=3 236 B8R0.1 O=C(OCC)CCCCl M10051695P [0,1,1,0,0,0|1,0,0]=3 237 B8R0.1 O=C(OCC)CCCN M10097497P [0,1,1,0,0,0|1,0,0]=3 238 B8R0.1 O=C(OCC)COCC M10021200P [0,1,1,0,0,0|1,0,0]=3 239 B8R0.1 O=C(OCC)NCCCl M10089881P [0,1,1,0,0,0|2,0,0]=4 240 B8R0.3 CCC(C(OCC)=O)=O M10139497P [0,1,1,0,0,0|1,0,1]=4 241 B8R0.3 N[C@H](CC)C(OCC)=O M10388706P [0,1,1,0,0,0|1,0,0]=3 242 B8R0.3 O=CC[C@@H]([C@@H](CO)O)O M10013409P [0,1,1,0,0,0|2,0,0]=4 243 B8R1.2 BrCC1CCNCC1 M10435546P [1,1,0,0,0,0|1,0,1]=4 244 B8R1.2 Br[Mg]C1CCCCC1 M10023423P [1,1,0,0,0,0|1,0,1]=4 245 B8R1.2 C#CC1CNCCC1 M10090509P [1,1,0,0,0,0|1,0,1]=4 246 B8R1.2 C=CC1CC=CCC1 M10002808P [1,1,0,0,0,0|0,0,2]=4 247 B8R1.2 CCC1CCCCC1 M10034651P [1,1,0,0,0,0|0,0,1]=3 248 B8R1.2 CCN1CCCCC1 M10020192P [1,1,0,0,0,0|1,0,1]=4 249 B8R1.2 CC[C@@H]1NCCNC1 M10727594P [1,1,0,0,0,0|2,0,0]=4 250 B8R1.2 CNC1CCOCC1 M10839299P [1,1,0,0,0,0|1,0,1]=4 251 B8R1.2 CNC1CNCCC1 M10775656P [1,1,0,0,0,0|1,0,0]=3 252 B8R1.2 COC1CCC=CO1 M11192011P [1,1,0,0,0,0|1,0,1]=4 253 B8R1.2 COC1CCNCC1 M10059549P [1,1,0,0,0,0|1,0,1]=4 254 B8R1.2 COC1CCNCC1 M10059550P [1,1,0,0,0,0|1,0,1]=4 255 B8R1.2 Cl[Mg]C1CCCCC1 M10023424P [1,1,0,0,0,0|1,0,1]=4 256 B8R1.2 ICC1CCOCC1 M10644856P [1,1,0,0,0,0|1,0,1]=4 257 B8R1.2 N#CC1CCCCC1 M10020188P [1,1,0,0,0,0|0,0,2]=4 258 B8R1.2 NCC1CCCCC1 M10052360P [1,1,0,0,0,0|0,0,1]=3 259 B8R1.2 NCC1CCOCC1 M10871026P [1,1,0,0,0,0|1,0,1]=4 260 B8R1.2 O=CC1COCCC1 M10467369P [1,1,0,0,0,0|1,0,1]=4 261 B8R1.2 OCC1CC=CCC1 M10034671P [1,1,0,0,0,0|0,0,1]=3 262 B8R1.2 OCC1CCCCO1 M10002840P [1,1,0,0,0,0|1,0,1]=4 263 B8R1.2 OCC1CNCCO1 M10649725P [1,1,0,0,0,0|2,0,0]=4 264 B8R1.2 OC[C@@H]1CNCCO1 M10129691P [1,1,0,0,0,0|2,0,0]=4 265 B8R1.2 OC[C@H]1CNCCO1 M10784747P [1,1,0,0,0,0|2,0,0]=4 266 B8R1.2 ONC1CCCCC1 M10041269P [1,1,0,0,0,0|0,0,2]=4 267 B8R1.2 ONC1CCCCC1 M10187793P [1,1,0,0,0,0|0,0,2]=4 268 B8R1.2 [C-]#[N+]C1CCCCC1 M10023425P [1,1,0,0,0,0|0,0,2]=4 269 B8R1.3 N[C@H]1CC[C@H](C)CC1 M10220545P [1,1,0,0,0,0|0,0,1]=3 270 B8R1.3 OC1CCC(C)CC1 M10014985P [1,1,0,0,0,0|0,0,1]=3 271 B8R1.3 OC1CCC(N)CC1 M10096706P [1,1,0,0,0,0|0,0,2]=4 272 B8R1.3 O[C@H]1CC[C@H](C)CC1 M10110148P [1,1,0,0,0,0|0,0,1]=3 273 B8R1.3 O[C@H]1CC[C@H](O)CC1 M10100025P [1,1,0,0,0,0|0,0,2]=4 274 B8R1.5 CC1N(C)CCNC1 M10187604P [1,1,0,0,0,0|2,0,0]=4 275 B8R1.5 C[C@H]1N(C)CCNC1 M10903043P [1,1,0,0,0,0|2,0,0]=4 276 B8R1.5 NC1C(C)CCCC1 M10100073P [1,1,0,0,0,0|0,0,1]=3 277 B8R1.5 N[C@H]1[C@@H](N)CCCC1 M10030752P [1,1,0,0,0,0|1,0,1]=4 278 B8R1.5 O=C1C(Br)COCC1 M10633741P [1,1,0,0,0,0|1,0,0]=3 279 B8R1.5 O=C1C(C)CCCC1 M10014758P [1,1,0,0,0,0|0,0,0]=2 280 B8R1.5 O=C1C(Cl)CCCC1 M10021353P [1,1,0,0,0,0|0,0,0]=2 281 B8R1.5 O=C1C(N)CCCC1 M10098058P [1,1,0,0,0,0|0,0,0]=2 282 B8R1.5 O[C@@H]1[C@@H](N)CCCC1 M10123131P [1,1,0,0,0,0|0,0,2]=4 283 B8R1.5 O[C@@H]1[C@@H](O)CCCC1 M10297347P [1,1,0,0,0,0|0,0,2]=4 284 B8R1.5 O[C@H]1[C@@H](N)CCCC1 M10821370P [1,1,0,0,0,0|0,0,2]=4 285 B8R1.5 O[C@H]1[C@H](N)CCCC1 M10123132P [1,1,0,0,0,0|0,0,2]=4 286 B8R1.5 O[C@H]1[C@H](O)CCCC1 M10031116P [1,1,0,0,0,0|0,0,2]=4 287 B8R1.72 CC1(C)CNCCO1 M10771797P [1,1,0,0,0,0|2,0,0]=4 288 B8R1.72 CC1(C)NCCNC1 M10497146P [1,1,0,0,0,0|2,0,0]=4 289 B8R1.72 O=S1(CCOCC1)=O M10003451P [1,1,0,0,0,0|2,0,0]=4 290 B8R1.72 OC1(C)CCNCC1 M10058965P [1,1,0,0,0,0|1,0,1]=4 291 B8R1.1 O=C1NCC(CN)C1 M10938946P [0,1,0,0,1,0|1,0,0]=3 292 B8R1.1 O=C1N[C@@H](CO)CC1 M10421051P [0,1,0,0,1,0|1,0,0]=3 293 B8R1.1 O=C1N[C@H](CBr)CC1 M10447477P [0,1,0,0,1,0|1,0,0]=3 294 B8R1.1 O=C1N[C@H](CN)CC1 M10768385P [0,1,0,0,1,0|1,0,0]=3 295 B8R1.1 O=C1N[C@H](CO)CC1 M10148902P [0,1,0,0,1,0|1,0,0]=3 296 B8R1.1 O=C1OCC(CO)O1 M10023416P [0,1,0,0,1,0|2,0,0]=4 297 B8R1.1 O=C1O[C@H](CO)CC1 M10218224P [0,1,0,0,1,0|1,0,0]=3 298 B8R1.1 OC[C@@H]1CN(C)CC1 M11113858P [0,1,0,0,1,0|2,0,0]=4 299 B8R1.18 O=C1CC(C)C(C)C1 M10207594P [0,1,0,0,1,0|0,0,0]=2 300 B8R1.50 O=C1C(C(C)CC1)=O M10020173P [0,1,0,0,1,0|0,0,1]=3 301 B8R1.51 NC1CCS(C1)(=O)=O M10260914P [0,1,0,0,1,0|2,0,0]=4 302 B8R1.51 O=C1CCS(C1)(=O)=O M10147341P [0,1,0,0,1,0|2,0,0]=4 303 B8R1.11 OC[C@@H]1N(C)CCC1 M10637872P [0,1,0,0,1,0|2,0,0]=4 304 B10R1.113 O=C(C1CC(NCC1)=O)O M10185359P [0,2,0,0,0,0|1,0,1]=4 305 B10R1.113 O=C(C1CN(C)CCC1)O M10163850P [0,2,0,0,0,0|1,0,1]=4 306 B10R1.113 O=C([C@@H]1NCC[C@@H](C)C1)O M10457687P [0,2,0,0,0,0|1,0,1]=4 307 B10R1.172 NCC1CC(CN)CCC1 M10045636P [0,2,0,0,0,0|1,0,1]=4 308 B10R1.329 O=C1CC(C)(C)CC(C)C1 M10022310P [0,2,0,0,0,0|0,0,0]=2 309 B10R1.329 O=C1CC(CC(N1)(C)C)=O M10069875P [0,2,0,0,0,0|1,0,1]=4 310 B10R1.329 OC1CC(C)(C)CC(C)C1 M10004052P [0,2,0,0,0,0|0,0,2]=4 311 B8R1.7 CC(C1SCCN1)=O M10425066P [0,0,1,1,0,0|2,0,0]=4 312 B8R1.7 CC([C@@H]1OCCC1)=O M10934991P [0,0,1,1,0,0|1,0,0]=3 313 B8R1.7 CC([C@H]1OCCC1)=O M10733047P [0,0,1,1,0,0|1,0,0]=3 314 B8R1.7 O=C(C1CNCC1)O M10088532P [0,0,1,1,0,0|2,0,0]=4 315 B8R1.7 O=C(C1CNCC1)O M10307067P [0,0,1,1,0,0|2,0,0]=4 316 B8R1.7 O=C([C@@H]1COCC1)O M10797101P [0,0,1,1,0,0|2,0,0]=4 317 B8R1.7 O=C([C@@H]1NCCC1)N M10256539P [0,0,1,1,0,0|2,0,0]=4 318 B8R1.7 O=C([C@H]1COCC1)O M10421829P [0,0,1,1,0,0|2,0,0]=4 319 B8R1.22 O=C1CCNCCC1 M10254302P [0,0,1,1,0,0|1,0,0]=3 320 B8R1.22 OC1CCCCCC1 M10012473P [0,0,1,1,0,0|0,0,2]=4 321 B8R1.8 NCCC1CCCC1 M10080142P [0,0,1,1,0,0|1,0,1]=4 322 B8R1.8 NCCC1CCCC1 M10940920P [0,0,1,1,0,0|1,0,1]=4 323 B8R1.8 O=C=NC1CCCC1 M10065943P [0,0,1,1,0,0|1,0,1]=4 324 B8R1.37 N#CCC(C1CC1)=O M10706279P [0,0,1,1,0,0|1,0,1]=4 325 B8R2.34 C12CC(C=C1)CC2 M10012355P [1,0,0,1,0,0|0,0,1]=3 326 B8R2.34 [C@@H]12C[C@@H](CN1)NC2 M10735543P [1,0,0,1,0,0|2,0,0]=4 327 B6R0.3 CC(C(S)CC)=O M10426560P [0,0,1,0,1,0|1,0,0]=3 328 B6R0.3 CC(C)C(OC)=O M10013809P [0,0,1,0,1,0|1,0,0]=3 329 B6R0.3 CC(NC)C(O)=O M10015418P [0,0,1,0,1,0|2,0,0]=4 330 B6R0.3 CC(O)C(OC)=O M10013810P [0,0,1,0,1,0|2,0,0]=4 331 B6R0.3 CC(OC)C(O)=O M10062023P [0,0,1,0,1,0|2,0,0]=4 332 B6R0.3 CCC(Br)C(Br)=O M10192304P [0,0,1,0,1,0|2,0,0]=4 333 B6R0.3 C[C@@H](NC)C(O)=O M10206333P [0,0,1,0,1,0|2,0,0]=4 334 B6R0.3 C[C@H](O)C(OC)=O M10199944P [0,0,1,0,1,0|2,0,0]=4 335 B6R0.3 O=C(N(C)C)CBr M10076656P [0,0,1,0,1,0|2,0,0]=4 336 B6R0.3 O=C(N(C)C)CN M10037195P [0,0,1,0,1,0|2,0,0]=4 337 B6R0.3 O=C(N(C)C)CN M10446751P [0,0,1,0,1,0|2,0,0]=4 338 B6R1.2 BrC1COCC1 M10160220P [1,0,0,0,1,0|2,0,0]=4 339 B6R1.2 CC1SCCS1 M10078227P [1,0,0,0,1,0|2,0,0]=4 340 B6R1.2 C[C@H]1NCCC1 M10246674P [1,0,0,0,1,0|1,0,0]=3 341 B6R1.2 FC1CNCC1 M10798431P [1,0,0,0,1,0|2,0,0]=4 342 B6R1.2 F[C@@H]1CNCC1 M10742011P [1,0,0,0,1,0|2,0,0]=4 343 B6R1.2 F[C@H]1CNCC1 M10939528P [1,0,0,0,1,0|2,0,0]=4 344 B6R1.2 NC1=NCCC1 M10108538P [1,0,0,0,1,0|2,0,0]=4 345 B6R1.2 NC1CC=CC1 M10604219P [1,0,0,0,1,0|1,0,1]=4 346 B6R1.2 NC1CNCC1 M10474878P [1,0,0,0,1,0|2,0,0]=4 347 B6R1.2 NC1COCC1 M10544670P [1,0,0,0,1,0|2,0,0]=4 348 B6R1.2 NC1COCC1 M10831251P [1,0,0,0,1,0|2,0,0]=4 349 B6R1.2 NN1CCCC1 M10143774P [1,0,0,0,1,0|2,0,0]=4 350 B6R1.2 N[C@@H]1COCC1 M10654784P [1,0,0,0,1,0|2,0,0]=4 351 B6R1.2 N[C@@H]1COCC1 M10831252P [1,0,0,0,1,0|2,0,0]=4 352 B6R1.2 O=C1CNCC1 M10002481P [1,0,0,0,1,0|1,0,0]=3 353 B6R1.2 O=C1CNCC1 M10057424P [1,0,0,0,1,0|1,0,0]=3 354 B6R1.2 O=C1NCNC1 M10035055P [1,0,0,0,1,0|2,0,0]=4 355 B6R1.2 O=C1NCNC1 M10140916P [1,0,0,0,1,0|2,0,0]=4 356 B6R1.2 O=C1OCCO1 M10002484P [1,0,0,0,1,0|2,0,0]=4 357 B6R1.2 O=C1SCCN1 M10046694P [1,0,0,0,1,0|2,0,0]=4 358 B6R1.2 OC1CC=CC1 M10130348P [1,0,0,0,1,0|1,0,1]=4 359 B6R1.2 O[C@H]1COCC1 M10505325P [1,0,0,0,1,0|2,0,0]=4 360 B6R1.5 NC1CC(C)C1 M10568222P [0,0,0,0,2,0|1,0,1]=4