0 B7R0.4 CC(CCCCBr)=O M10113189P [0,0,0,0,0,0|2,0,0]=2 1 B7R0.4 CC(N)CCCCC M10004600P [0,0,0,0,0,0|2,0,1]=3 2 B7R0.4 CC(O)CNCCN M10004602P [0,0,0,0,0,0|3,0,1]=4 3 B7R0.4 CC(OCCOC)=O M10003718P [0,0,0,0,0,0|3,0,0]=3 4 B7R0.4 CCCCCB(O)O M10065828P [0,0,0,0,0,0|1,0,1]=2 5 B7R0.4 CCCCCC(Cl)=O M10005436P [0,0,0,0,0,0|1,0,0]=1 6 B7R0.4 O=C(Cl)OCCCCl M10016962P [0,0,0,0,0,0|3,0,0]=3 7 B7R0.4 O=C(Cl)\C=C\OCC M10084811P [0,0,0,0,0,0|2,0,2]=4 8 B7R0.4 O=C(N)COCCCl M10232141P [0,0,0,0,0,0|3,0,0]=3 9 B7R0.4 O=C(N)NCCCC M10195780P [0,0,0,0,0,0|2,0,0]=2 10 B7R0.4 O=C(N)NCCCC M10200467P [0,0,0,0,0,0|2,0,0]=2 11 B7R0.4 O=C(O)CCCC#N M10239045P [0,0,0,0,0,0|1,0,1]=2 12 B7R0.4 O=C(O)CCCCO M10123275P [0,0,0,0,0,0|1,0,0]=1 13 B7R0.4 O=C(O)CCOCC M10062024P [0,0,0,0,0,0|1,0,0]=1 14 B7R0.4 O=C(O)CNCCN M10183221P [0,0,0,0,0,0|2,0,0]=2 15 B7R0.4 O=C(O)COCCC M10276951P [0,0,0,0,0,0|1,0,0]=1 16 B7R0.4 O=C([O-])CCCCO M10233260P [0,0,0,0,0,0|1,0,1]=2 17 B6R0.4 C#CCCC(O)=O M10083651P [1,0,0,0,0,0|0,0,2]=3 18 B6R0.4 C=CCCC(Cl)=O M10240332P [1,0,0,0,0,0|1,0,2]=4 19 B6R0.4 CC(CCC=C)=O M10003621P [1,0,0,0,0,0|1,0,2]=4 20 B6R0.4 CC(CCCBr)=O M10058337P [1,0,0,0,0,0|2,0,0]=3 21 B6R0.4 CC(NCCO)=O M10005418P [1,0,0,0,0,0|3,0,0]=4 22 B6R0.4 CC(O)CCCO M10016886P [1,0,0,0,0,0|2,0,1]=4 23 B6R0.4 CC(OCCO)=O M10013697P [1,0,0,0,0,0|3,0,0]=4 24 B6R0.4 CC\C=C\C(O)=O M10016889P [1,0,0,0,0,0|0,0,2]=3 25 B6R0.4 CC\C=C\C([O-])=O M12008293P [1,0,0,0,0,0|0,0,3]=4 26 B6R0.4 O=C(Cl)CCCBr M10023246P [1,0,0,0,0,0|2,0,0]=3 27 B6R0.4 O=C(Cl)OCCCl M10016902P [1,0,0,0,0,0|3,0,0]=4 28 B6R0.4 O=C(N)NCCO M10039744P [1,0,0,0,0,0|3,0,0]=4 29 B6R0.4 O=C(O)CCC#N M10140304P [1,0,0,0,0,0|1,0,1]=3 30 B6R0.4 O=C(O)CCCCl M10016891P [1,0,0,0,0,0|1,0,0]=2 31 B6R0.4 O=C(O)CCOC M10045190P [1,0,0,0,0,0|1,0,0]=2 32 B6R0.4 O=C(O)CCSC M10017612P [1,0,0,0,0,0|1,0,0]=2 33 B6R0.4 O=C(O)COCC M10016894P [1,0,0,0,0,0|1,0,0]=2 34 B6R0.4 O=C(O)\C=C\CBr M10127900P [1,0,0,0,0,0|1,0,2]=4 35 B6R0.4 O=C([O-])CNCO M10437440P [1,0,0,0,0,0|2,0,1]=4 36 B6R0.4 O=[Sn](CCCC)O M10042008P [1,0,0,0,0,0|1,0,0]=2 37 B6R0.4 S=C(N)NCCC M10023251P [1,0,0,0,0,0|2,1,0]=4 38 B6R0.6 C=CCCCCCl M10208182P [1,0,0,0,0,0|2,0,0]=3 39 B6R0.6 C=CCOCCO M10003808P [1,0,0,0,0,0|3,0,0]=4 40 B6R0.6 CCCCCCI M10197538P [1,0,0,0,0,0|1,0,1]=3 41 B6R0.6 CCCCC[Mg]Br M10018552P [1,0,0,0,0,0|2,0,0]=3 42 B6R0.6 CCCOCCCl M10247973P [1,0,0,0,0,0|2,0,1]=4 43 B6R0.6 COBCCCC M10104694P [1,0,0,0,0,0|3,0,0]=4 44 B6R0.6 COCCCCCl M10152312P [1,0,0,0,0,0|2,0,1]=4 45 B6R0.6 ClCCCN=C=O M10119739P [1,0,0,0,0,0|2,0,1]=4 46 B6R0.6 N#CCCCCBr M10073280P [1,0,0,0,0,0|2,0,1]=4 47 B6R0.6 N#CCCOCC M10040387P [1,0,0,0,0,0|2,0,1]=4 48 B6R0.6 NCCCCCN M10031362P [1,0,0,0,0,0|2,0,1]=4 49 B6R0.6 OCCCCNC M10247660P [1,0,0,0,0,0|1,0,1]=3 50 B6R0.6 OCCSCCO M10003812P [1,0,0,0,0,0|2,0,1]=4 51 B6R0.6 [Li]CCCCCC M10170025P [1,0,0,0,0,0|1,0,1]=3 52 B8R0.5 CC(OC(C)=O)COC M10497504P [0,1,0,0,0,0|3,0,0]=4 53 B8R0.6 C#CC(O)CCCCC M10021227P [0,1,0,0,0,0|1,0,1]=3 54 B8R0.6 CCCCCC([O-])CC M10026061P [0,1,0,0,0,0|1,0,2]=4 55 B8R0.6 O=C(OC)CCCCCl M10129961P [0,1,0,0,0,0|1,0,0]=2 56 B8R0.6 O=C(OCCCC)CCl M10014991P [0,1,0,0,0,0|2,0,0]=3 57 B8R0.6 O=C(OCCCC)CO M10104696P [0,1,0,0,0,0|1,0,0]=2 58 B8R0.6 OCC(O)CCCCO M10003368P [0,1,0,0,0,0|1,0,2]=4 59 B8R0.7 BrCCCCOC(C)=O M10065998P [0,1,0,0,0,0|2,0,0]=3 60 B8R0.7 C#CCCCCC(O)=O M10212111P [0,1,0,0,0,0|0,0,1]=2 61 B8R0.7 C=CCCCCC(O)=O M10027121P [0,1,0,0,0,0|0,0,1]=2 62 B8R0.7 CC(C)CCCCCO M12278016P [0,1,0,0,0,0|2,0,1]=4 63 B8R0.7 CC(O)CCCCCC M10060290P [0,1,0,0,0,0|1,0,1]=3 64 B8R0.7 CC(O)COCCCC M10069007P [0,1,0,0,0,0|1,0,1]=3 65 B8R0.7 CCCCCCB(O)O M10142242P [0,1,0,0,0,0|1,0,1]=3 66 B8R0.7 CCCC\C=C\C(O)=O M10158440P [0,1,0,0,0,0|0,0,1]=2 67 B8R0.7 CSCCCOC(C)=O M10144018P [0,1,0,0,0,0|2,0,0]=3 68 B8R0.7 C[C@@H](O)CCCCCC M10082518P [0,1,0,0,0,0|1,0,1]=3 69 B8R0.7 C[C@H](O)CCCCCC M10084602P [0,1,0,0,0,0|1,0,1]=3 70 B8R0.7 O=C(Cl)CCCCCBr M10176911P [0,1,0,0,0,0|1,0,0]=2 71 B8R0.7 O=C(Cl)OCCCCC M10017366P [0,1,0,0,0,0|1,0,0]=2 72 B8R0.7 O=C(Cl)OCCOCC M10016994P [0,1,0,0,0,0|2,0,0]=3 73 B8R0.7 O=C(O)CCCCCN M10196151P [0,1,0,0,0,0|0,0,0]=1 74 B8R0.7 O=C(O)COCCCC M10044886P [0,1,0,0,0,0|0,0,0]=1 75 B8R0.7 O=C(O)COCCOC M10140131P [0,1,0,0,0,0|1,0,0]=2 76 B8R0.8 O=C(O)C(Br)CCCBr M10030963P [0,1,0,0,0,0|1,0,0]=2 77 B8R0.8 O=C(O)C(O)CCSC M10014771P [0,1,0,0,0,0|1,0,0]=2 78 B8R0.8 O=C(O)[C@@H](N)CCCN M10000749P [0,1,0,0,0,0|1,0,0]=2 79 B8R0.8 O=C(O)[C@@H](N)CCCN M10312953P [0,1,0,0,0,0|1,0,0]=2 80 B8R0.8 O=C([O-])C(O)CCSC M10066845P [0,1,0,0,0,0|1,0,1]=3 81 B8R0.9 CC(CCC(OC)=O)=O M10016714P [0,1,0,0,0,0|2,0,1]=4 82 B8R0.9 O=C(O)CCC(CN)=O M10003359P [0,1,0,0,0,0|1,0,1]=3 83 B8R0.9 O=C(OC)CCC(Cl)=O M10031630P [0,1,0,0,0,0|2,0,1]=4 84 B8R0.28 CC(CCC=C(C)C)=O M10003758P [0,1,0,0,0,0|1,0,2]=4 85 B8R0.28 NC(C)CCCC(C)C M10013728P [0,1,0,0,0,0|2,0,1]=4 86 B8R0.28 O=C(N)CCCC(N)=O M10036487P [0,1,0,0,0,0|2,0,1]=4 87 B8R0.28 O=C(O)CCCN(C)C M10436635P [0,1,0,0,0,0|1,0,0]=2 88 B8R0.28 O=C(O)COCC(O)=O M10003764P [0,1,0,0,0,0|2,0,1]=4 89 B8R0.28 O=C(O)\C=C\CN(C)C M10996972P [0,1,0,0,0,0|1,0,2]=4 90 B8R0.28 [NH2+]=C(N)SCCC(O)=O M10073898P [0,1,0,0,0,0|2,0,1]=4 91 B8R1.1 O=C1NCC(CN)C1 M10938946P [0,0,0,1,0,0|3,0,0]=4 92 B8R1.1 O=C1N[C@@H](CO)CC1 M10421051P [0,0,0,1,0,0|2,0,0]=3 93 B8R1.1 O=C1N[C@H](CBr)CC1 M10447477P [0,0,0,1,0,0|2,0,0]=3 94 B8R1.1 O=C1N[C@H](CN)CC1 M10768385P [0,0,0,1,0,0|2,0,0]=3 95 B8R1.1 O=C1N[C@H](CO)CC1 M10148902P [0,0,0,1,0,0|2,0,0]=3 96 B8R1.1 O=C1OCC(CO)O1 M10023416P [0,0,0,1,0,0|2,0,0]=3 97 B8R1.1 O=C1O[C@H](CO)C=C1 M10471936P [0,0,0,1,0,0|1,0,2]=4 98 B8R1.1 O=C1O[C@H](CO)CC1 M10218224P [0,0,0,1,0,0|1,0,0]=2 99 B8R1.4 CC1CCCC(C)N1 M10012541P [0,0,0,1,0,0|2,0,1]=4 100 B8R1.4 CC1OC(C)CNC1 M10005400P [0,0,0,1,0,0|2,0,1]=4 101 B8R1.4 O=C1CN(C)CCC1 M10077248P [0,0,0,1,0,0|2,0,0]=3 102 B8R1.4 O=C1NCCC(O)C1 M10882636P [0,0,0,1,0,0|3,0,0]=4 103 B8R1.4 O=C1NCCN(C)C1 M10224934P [0,0,0,1,0,0|3,0,0]=4 104 B8R1.4 O=C1NCC[C@H](O)C1 M10882637P [0,0,0,1,0,0|3,0,0]=4 105 B8R1.4 OC1CC(N)CCC1 M10096701P [0,0,0,1,0,0|2,0,1]=4 106 B8R1.4 O[C@H]1C[C@@H](N)CCC1 M10099944P [0,0,0,1,0,0|2,0,1]=4 107 B8R1.7 CC(C1SCCN1)=O M10425066P [0,0,0,1,0,0|3,0,0]=4 108 B8R1.7 CC([C@@H]1OCCC1)=O M10934991P [0,0,0,1,0,0|2,0,0]=3 109 B8R1.7 CC([C@H]1OCCC1)=O M10733047P [0,0,0,1,0,0|2,0,0]=3 110 B8R1.7 O=C(C1=COCC1)O M10633740P [0,0,0,1,0,0|1,0,2]=4 111 B8R1.7 O=C(C1CNCC1)O M10088532P [0,0,0,1,0,0|1,0,0]=2 112 B8R1.7 O=C(C1CNCC1)O M10307067P [0,0,0,1,0,0|1,0,0]=2 113 B8R1.7 O=C([C@@H]1COCC1)O M10797101P [0,0,0,1,0,0|1,0,0]=2 114 B8R1.7 O=C([C@@H]1NCC=C1)O M10302447P [0,0,0,1,0,0|1,0,2]=4 115 B8R1.7 O=C([C@@H]1NCCC1)N M10256539P [0,0,0,1,0,0|2,0,0]=3 116 B8R1.7 O=C([C@H]1COCC1)O M10421829P [0,0,0,1,0,0|1,0,0]=2 117 B8R1.22 O=C1CCNCCC1 M10254302P [0,0,0,1,0,0|2,0,0]=3 118 B8R1.22 OC1CCCCCC1 M10012473P [0,0,0,1,0,0|1,0,1]=3 119 B8R1.72 O=S1(CCOCC1)=O M10003451P [0,0,0,1,0,0|2,0,1]=4 120 B8R1.72 OC1(C)CCNCC1 M10058965P [0,0,0,1,0,0|2,0,1]=4 121 B5R0.1 CC(CCCl)=O M10089400P [2,0,0,0,0,0|2,0,0]=4 122 B5R0.1 CC(COC)=O M10081509P [2,0,0,0,0,0|2,0,0]=4 123 B5R0.1 O=C(O)CCF M10011311P [2,0,0,0,0,0|1,0,0]=3 124 B5R0.1 O=C(O)CCO M10012525P [2,0,0,0,0,0|1,0,0]=3 125 B5R0.1 O=C([O-])CNC M10061947P [2,0,0,0,0,0|1,0,1]=4 126 B5R0.2 C=CCCCCl M10023281P [2,0,0,0,0,0|1,0,1]=4 127 B5R0.2 C=CCOCC M10014106P [2,0,0,0,0,0|1,0,1]=4 128 B5R0.2 CCC#CCO M10085562P [2,0,0,0,0,0|0,0,2]=4 129 B5R0.2 CCCN=C=O M10003745P [2,0,0,0,0,0|1,0,1]=4 130 B5R0.2 CCCOC=C M10020114P [2,0,0,0,0,0|1,0,1]=4 131 B5R0.2 CCOCCCl M10016975P [2,0,0,0,0,0|2,0,0]=4 132 B5R0.2 CCSCCCl M10018543P [2,0,0,0,0,0|2,0,0]=4 133 B5R0.2 CCSCCO M10003744P [2,0,0,0,0,0|1,0,0]=3 134 B5R0.2 Cl[Mg]CCCC M10018540P [2,0,0,0,0,0|2,0,0]=4 135 B5R0.2 ICCCCI M10016968P [2,0,0,0,0,0|2,0,0]=4 136 B5R0.2 OCCCCBr M10196369P [2,0,0,0,0,0|1,0,0]=3 137 B5R0.2 OCCCCBr M10219049P [2,0,0,0,0,0|1,0,0]=3 138 B5R0.2 OCCCCCl M10030203P [2,0,0,0,0,0|1,0,0]=3 139 B7R0.2 O=C(Cl)OC(C)CC M10149751P [1,1,0,0,0,0|2,0,0]=4 140 B7R0.2 O=C(O)CC(O)CN M10190010P [1,1,0,0,0,0|1,0,0]=3 141 B7R0.2 O=C(O)C[C@@H](O)CN M10100168P [1,1,0,0,0,0|1,0,0]=3 142 B7R0.3 C=CC(NCCC)=O M10192147P [1,1,0,0,0,0|2,0,0]=4 143 B7R0.3 C=CC(O)CCCC M10067454P [1,1,0,0,0,0|1,0,1]=4 144 B7R0.3 O=C(OC)CCC=O M10126962P [1,1,0,0,0,0|1,0,1]=4 145 B7R0.3 O=C(OC)CCCN M10119950P [1,1,0,0,0,0|1,0,0]=3 146 B7R0.3 O=C(OCCC)CBr M10226573P [1,1,0,0,0,0|2,0,0]=4 147 B7R0.5 C#CC[C@H](N)C(O)=O M10179000P [1,1,0,0,0,0|0,0,2]=4 148 B7R0.5 C=CC[C@@H](N)C(O)=O M10668722P [1,1,0,0,0,0|0,0,2]=4 149 B7R0.5 C=CC[C@H](N)C(O)=O M10826425P [1,1,0,0,0,0|0,0,2]=4 150 B7R0.5 CC(C(CCC)=O)=O M10058081P [1,1,0,0,0,0|1,0,1]=4 151 B7R0.5 CCCC(Br)C(O)=O M10014810P [1,1,0,0,0,0|0,0,0]=2 152 B7R0.5 CCCC(C)C(O)=O M10209692P [1,1,0,0,0,0|0,0,0]=2 153 B7R0.5 CC\C=C(C)\C(O)=O M10051561P [1,1,0,0,0,0|0,0,2]=4 154 B7R0.5 O=C(O)C(Cl)COC M10045189P [1,1,0,0,0,0|1,0,0]=3 155 B7R0.5 O=C(O)C(F)CCN M10193859P [1,1,0,0,0,0|1,0,0]=3 156 B7R0.5 O=C(O)C(N)CCN M10024859P [1,1,0,0,0,0|1,0,0]=3 157 B7R0.5 O=C(O)C(OCC)=O M10016281P [1,1,0,0,0,0|1,0,1]=4 158 B7R0.5 O=C(O)[C@@H](N)COC M10217767P [1,1,0,0,0,0|1,0,0]=3 159 B7R0.5 O=C(O)[C@@H](N)COC M10861260P [1,1,0,0,0,0|1,0,0]=3 160 B7R0.5 O=C(O)[C@H](N)COC M10505436P [1,1,0,0,0,0|1,0,0]=3 161 B7R0.5 O=C(O)[C@H](N)COC M10505437P [1,1,0,0,0,0|1,0,0]=3 162 B7R0.6 CC(C)CCB(O)O M10634235P [1,1,0,0,0,0|1,0,1]=4 163 B7R0.6 CC(C)\C=C\C(O)=O M10114075P [1,1,0,0,0,0|0,0,2]=4 164 B7R0.6 CC(CCC([O-])=O)=O M10183682P [1,1,0,0,0,0|0,0,2]=4 165 B7R0.6 C[S+](CCC(O)=O)C M10062116P [1,1,0,0,0,0|1,0,0]=3 166 B7R0.6 O=C(C)CCC([O-])=O M10015062P [1,1,0,0,0,0|0,0,2]=4 167 B7R0.6 O=C(Cl)OCC(C)C M10013714P [1,1,0,0,0,0|2,0,0]=4 168 B7R0.6 O=C(O)CCN(C)C M10133339P [1,1,0,0,0,0|1,0,0]=3 169 B7R0.8 O[Sn](Cl)(CCCC)O M10122972P [1,1,0,0,0,0|1,0,1]=4 170 B7R0.1 C=CCCCCCCl M10023319P [1,1,0,0,0,0|1,0,0]=3 171 B7R0.1 CCCCCCCI M10061657P [1,1,0,0,0,0|1,0,1]=4 172 B7R0.1 CCCCOCCCl M10115661P [1,1,0,0,0,0|1,0,1]=4 173 B7R0.1 ICCCCCCI M10017025P [1,1,0,0,0,0|1,0,1]=4 174 B7R0.1 NCCCCCCN M10083288P [1,1,0,0,0,0|1,0,1]=4 175 B7R0.1 OCCCCOC=C M10151868P [1,1,0,0,0,0|2,0,0]=4 176 B9R0.4 CC(OC(C)=O)COCC M10278996P [0,2,0,0,0,0|2,0,0]=4 177 B9R0.34 CCCC(O)CC(OC)=O M10169115P [0,2,0,0,0,0|0,0,0]=2 178 B9R0.53 CC(C)CC(N)CC(O)=O M10056453P [0,2,0,0,0,0|0,0,0]=2 179 B9R0.1 O=C(O)CCCC(OC)=O M10031796P [0,2,0,0,0,0|0,0,1]=3 180 B9R0.5 O=C(OCC)COCCCl M10148096P [0,2,0,0,0,0|2,0,0]=4 181 B9R0.5 O=C(OCCCC)CC#N M10076065P [0,2,0,0,0,0|2,0,0]=4 182 B9R0.8 CCCCC(Br)C(OC)=O M10064420P [0,2,0,0,0,0|0,0,0]=2 183 B9R0.8 CCCCC(Br)C(OC)=O M10437847P [0,2,0,0,0,0|0,0,0]=2 184 B9R0.8 O=C(OC)[C@@H](N)CCCN M10242020P [0,2,0,0,0,0|1,0,0]=3 185 B9R0.8 [Zn+]OC([C@@H](N)CCSC)=O M10287809P [0,2,0,0,0,0|1,0,0]=3 186 B9R0.24 O=C(OC)CCC(CN)=O M10475373P [0,2,0,0,0,0|1,0,1]=4 187 B9R0.46 C=CC(OCCOCC)=O M10003373P [0,2,0,0,0,0|2,0,0]=4 188 B9R0.46 O=C(OC)CCCCCBr M10129964P [0,2,0,0,0,0|0,0,0]=2 189 B9R0.46 O=C(OC)CCCCCO M10064340P [0,2,0,0,0,0|0,0,0]=2 190 B9R0.47 CC(C(OCCCC)=O)=O M10165130P [0,2,0,0,0,0|1,0,1]=4 191 B9R0.47 C[C@H](O)C(OCCCC)=O M10223932P [0,2,0,0,0,0|1,0,0]=3 192 B9R0.47 O=C(O)[C@@H](N)CCCCN M10073031P [0,2,0,0,0,0|0,0,0]=2 193 B9R0.47 O=C(O)[C@@H](N)CCCCN M10197723P [0,2,0,0,0,0|0,0,0]=2 194 B9R0.2 C=CCCCCCC(O)=O M10156973P [0,2,0,0,0,0|0,0,0]=2 195 B9R0.2 CC(OCCOCCO)=O M10039891P [0,2,0,0,0,0|2,0,0]=4 196 B9R0.2 O=C(O)CCCCCCN M10378899P [0,2,0,0,0,0|0,0,0]=2 197 B9R0.2 O=C(O)CCCCCCO M10056977P [0,2,0,0,0,0|0,0,0]=2 198 B9R0.2 O=C(O)CCCCCOC M10246469P [0,2,0,0,0,0|0,0,0]=2 199 B9R0.38 CCCCCCP(O)(O)=O M10065651P [0,2,0,0,0,0|1,0,0]=3 200 B9R0.55 O=C(N)NCCCN(C)C M10214122P [0,2,0,0,0,0|2,0,0]=4 201 B9R0.55 O=C(O)CCCCC(C)=O M10051384P [0,2,0,0,0,0|0,0,0]=2 202 B9R0.55 O=C([O-])CCCCC([O-])=O M10158972P [0,2,0,0,0,0|0,0,2]=4 203 B9R0.7 CC(C)CC[C@@H](N)C(O)=O M10747756P [0,2,0,0,0,0|0,0,0]=2 204 B9R0.7 CC(C)CC[C@H](N)C(O)=O M10215341P [0,2,0,0,0,0|0,0,0]=2 205 B9R0.7 N[C@@H](CCC(N)=O)C(O)=O M10014819P [0,2,0,0,0,0|1,0,1]=4 206 B9R0.7 N[C@H](CCC(O)=O)C(O)=O M10005213P [0,2,0,0,0,0|1,0,1]=4 207 B9R0.7 O=C(O)CC[C@H](N)C(N)=O M10017277P [0,2,0,0,0,0|1,0,1]=4 208 B9R0.13 CCCCC(CC)C(Cl)=O M10020004P [0,2,0,0,0,0|1,0,0]=3 209 B9R0.13 CCCCC(CC)C([O-])=O M10188990P [0,2,0,0,0,0|0,0,1]=3 210 B9R0.13 CCCCC(CC)C([O-])=O M12014329P [0,2,0,0,0,0|0,0,1]=3 211 B9R0.56 C[N+](C)(C)CCCC(O)=O M10085429P [0,2,0,0,0,0|1,0,0]=3 212 B9R0.56 O=C(CCCS(=O)(N)=O)O M10804559P [0,2,0,0,0,0|2,0,0]=4 213 B7R1.2 CC1OS(OC1)=O M10031271P [1,0,0,1,0,0|2,0,0]=4 214 B7R1.2 O=C1CN(C)CC1 M10472463P [1,0,0,1,0,0|2,0,0]=4 215 B7R1.2 O=C1OC(C)=CC1 M10015036P [1,0,0,1,0,0|0,0,2]=4 216 B7R1.2 O=C1OC(CO1)C M10003516P [1,0,0,1,0,0|1,0,0]=3 217 B7R1.2 O=C1OCC(Cl)O1 M10058922P [1,0,0,1,0,0|2,0,0]=4 218 B7R1.2 O=C1OCC(F)O1 M10694293P [1,0,0,1,0,0|2,0,0]=4 219 B7R1.2 O=C1OC[C@H](C)O1 M10258723P [1,0,0,1,0,0|1,0,0]=3 220 B7R1.3 ClC1=CCCCC1 M10208207P [1,0,0,1,0,0|2,0,0]=4 221 B7R1.3 ClC1CCCCO1 M10051478P [1,0,0,1,0,0|1,0,1]=4 222 B7R1.3 O=C1CCNCC1 M10246538P [1,0,0,1,0,0|2,0,0]=4 223 B7R1.3 O=C1CCNCC1 M10247465P [1,0,0,1,0,0|2,0,0]=4 224 B7R1.3 O=C1CCNCC1 M10857977P [1,0,0,1,0,0|2,0,0]=4 225 B7R1.3 O=C1CCOCC1 M10179636P [1,0,0,1,0,0|2,0,0]=4 226 B7R1.3 O=C1CNCCC1 M10342345P [1,0,0,1,0,0|2,0,0]=4 227 B7R1.3 O=C1NCCCN1 M10037131P [1,0,0,1,0,0|2,0,0]=4 228 B7R1.3 O=C1OCCOC1 M10050467P [1,0,0,1,0,0|1,0,0]=3 229 B7R1.3 O=S1CCCCC1 M10067807P [1,0,0,1,0,0|2,0,0]=4 230 B7R1.3 ON1CCCCC1 M10066414P [1,0,0,1,0,0|2,0,0]=4 231 B7R1.7 CCCCC1OC1 M10030748P [1,0,0,1,0,0|1,0,1]=4 232 B7R1.10 O=C1CC(CO)C1 M10810765P [1,0,0,1,0,0|2,0,0]=4 233 B7R1.18 N=C(C1CCC1)N M10444128P [1,0,0,1,0,0|2,0,0]=4 234 B7R1.18 O=C(C1NCC1)O M10164146P [1,0,0,1,0,0|1,0,0]=3 235 B7R1.18 O=C(C1OCC1)O M10006194P [1,0,0,1,0,0|1,0,0]=3 236 B7R1.18 O=C([C@@H]1NCC1)O M10110131P [1,0,0,1,0,0|1,0,0]=3 237 B7R1.18 O=C([C@H]1NCC1)O M10875068P [1,0,0,1,0,0|1,0,0]=3 238 B7R1.18 OB(C1CCC1)O M10997879P [1,0,0,1,0,0|1,0,1]=4 239 B7R1.1 BrCC1CCCC1 M10057867P [1,0,0,1,0,0|1,0,1]=4 240 B7R1.1 Br[Mg]C1CCCC1 M10219729P [1,0,0,1,0,0|2,0,0]=4 241 B7R1.1 COC1CCCC1 M10078199P [1,0,0,1,0,0|2,0,0]=4 242 B7R1.1 Cl[Mg]C1CCCC1 M12276705P [1,0,0,1,0,0|2,0,0]=4 243 B7R1.1 NCC1CCCC1 M10302882P [1,0,0,1,0,0|1,0,1]=4 244 B7R1.1 NCC1OCCC1 M10066380P [1,0,0,1,0,0|1,0,1]=4 245 B7R1.1 NC[C@@H]1OCCC1 M10102346P [1,0,0,1,0,0|1,0,1]=4 246 B7R1.1 NC[C@H]1OCCC1 M10102169P [1,0,0,1,0,0|1,0,1]=4 247 B7R1.1 O=CC1OCCC1 M10109701P [1,0,0,1,0,0|1,0,0]=3 248 B7R1.1 OCC1COCC1 M10138830P [1,0,0,1,0,0|1,0,1]=4 249 B7R1.1 OC[C@@H]1CNCC1 M10673087P [1,0,0,1,0,0|1,0,1]=4 250 B7R1.1 OC[C@H]1CNCC1 M10673086P [1,0,0,1,0,0|1,0,1]=4 251 B7R1.4 CC1=CCCC1=O M10027183P [1,0,0,1,0,0|0,0,2]=4 252 B7R1.4 O=C1C(Br)CCC1 M10172483P [1,0,0,1,0,0|1,0,0]=3 253 B7R1.4 O=C1C(C)CCC1 M10027182P [1,0,0,1,0,0|0,0,0]=2 254 B7R1.4 O=C1C(Cl)CCC1 M10018599P [1,0,0,1,0,0|1,0,0]=3 255 B7R1.4 O=C1NCCC1O M10135336P [1,0,0,1,0,0|2,0,0]=4 256 B7R1.4 O=C1NCC[C@@H]1N M10060287P [1,0,0,1,0,0|2,0,0]=4 257 B7R1.4 O=C1NCC[C@@H]1N M10288485P [1,0,0,1,0,0|2,0,0]=4 258 B7R1.4 O=C1NCC[C@H]1O M10468150P [1,0,0,1,0,0|2,0,0]=4 259 B7R1.4 O[C@@H]1[C@@H](N)CCC1 M10430095P [1,0,0,1,0,0|1,0,1]=4 260 B7R1.4 O[C@@H]1[C@H](N)CCC1 M10841437P [1,0,0,1,0,0|1,0,1]=4 261 B7R1.4 O[C@H]1[C@@H](N)CCC1 M10743008P [1,0,0,1,0,0|1,0,1]=4 262 B7R1.4 O[C@H]1[C@H](N)CCC1 M10215039P [1,0,0,1,0,0|1,0,1]=4 263 B7R1.4 O[C@H]1[C@H](N)CCC1 M10430096P [1,0,0,1,0,0|1,0,1]=4 264 B7R1.4 O[C@H]1[C@H](O)CCC1 M10192705P [1,0,0,1,0,0|1,0,1]=4 265 B7R1.6 OCCC1COC1 M10845630P [1,0,0,1,0,0|1,0,1]=4 266 B7R1.24 O1CCNCCC1 M10806668P [1,0,0,1,0,0|1,0,1]=4 267 B9R1.13 CC(N[C@@H]1CNCC1)=O M10695408P [0,1,0,1,0,0|2,0,0]=4 268 B9R1.13 O=C(O)CC1COCC1 M10746626P [0,1,0,1,0,0|0,0,0]=2 269 B9R1.13 O=C(O)CC1OCCC1 M10043869P [0,1,0,1,0,0|0,0,0]=2 270 B9R1.13 O=C(O)C[C@@H]1NCCC1 M10330790P [0,1,0,1,0,0|0,0,0]=2 271 B9R1.13 O=C(O)C[C@@H]1NCCC1 M10879019P [0,1,0,1,0,0|0,0,0]=2 272 B9R1.13 O=C(O)C[C@H]1CNCC1 M10715094P [0,1,0,1,0,0|0,0,0]=2 273 B9R1.34 O=C1CC(C)NC(C)C1 M11091903P [0,1,0,1,0,0|2,0,0]=4 274 B9R1.34 O=C1CC(CC(C)C1)=O M10062153P [0,1,0,1,0,0|1,0,1]=4 275 B9R1.41 O=C([C@H]1N(C)CCC1)O M10011652P [0,1,0,1,0,0|0,0,0]=2 276 B9R1.66 O=C1CC(C)(C)OCC1 M10028787P [0,1,0,1,0,0|2,0,0]=4 277 B9R1.66 O=C1CC(C)(O)CCO1 M12271779P [0,1,0,1,0,0|2,0,0]=4 278 B9R1.137 CC(CC(C1CC1)=O)=O M10170892P [0,1,0,1,0,0|1,0,1]=4 279 B9R1.1 O=C1CCC(OC)CC1 M10124180P [0,1,0,1,0,0|2,0,0]=4 280 B9R1.1 O=C1NCC(CO)CC1 M10769348P [0,1,0,1,0,0|2,0,0]=4 281 B9R1.2 OC1CN(CC)CCC1 M10123727P [0,1,0,1,0,0|1,0,1]=4 282 B9R1.5 O=C1NCCCCC1N M10018058P [0,1,0,1,0,0|1,0,0]=3 283 B9R1.5 O=C1NCCCC[C@H]1N M10204271P [0,1,0,1,0,0|1,0,0]=3 284 B9R1.11 ClCC(N1CCCC1)=O M10165063P [0,1,0,1,0,0|2,0,0]=4 285 B9R1.11 O=C(C1=CCCC1)OC M10190686P [0,1,0,1,0,0|0,0,2]=4 286 B9R1.11 O=C(C1CNCC1)OC M10828155P [0,1,0,1,0,0|1,0,0]=3 287 B9R1.11 O=C(C1OCCC1)OC M10233304P [0,1,0,1,0,0|1,0,0]=3 288 B9R1.50 O=C1NCCCCCC1 M10018116P [0,1,0,1,0,0|1,0,0]=3 289 B9R1.118 OC1(CC)CCCCC1 M10038193P [0,1,0,1,0,0|1,0,1]=4 290 B9R1.6 CC(C1CCCCC1)=O M10021388P [0,1,0,1,0,0|1,0,0]=3 291 B9R1.6 CC(C1CCOCC1)=O M10742643P [0,1,0,1,0,0|1,0,0]=3 292 B9R1.6 N=C(C1CCNCC1)N M11106217P [0,1,0,1,0,0|2,0,0]=4 293 B9R1.6 O=C(C1=CCCCC1)O M10017285P [0,1,0,1,0,0|0,0,1]=3 294 B9R1.6 O=C(C1=CCCCO1)O M10214169P [0,1,0,1,0,0|0,0,2]=4 295 B9R1.6 O=C(C1CCCCC1)O M10002681P [0,1,0,1,0,0|0,0,0]=2 296 B9R1.6 O=C(C1CCCCC1)[O-] M10005124P [0,1,0,1,0,0|0,0,1]=3 297 B9R1.6 O=C(C1CCCCO1)O M10261099P [0,1,0,1,0,0|0,0,0]=2 298 B9R1.6 O=C(C1CCOCC1)O M10071426P [0,1,0,1,0,0|0,0,0]=2 299 B9R1.6 O=C(C1COCCC1)O M10012480P [0,1,0,1,0,0|0,0,0]=2 300 B9R1.6 O=C(C1NCCNC1)O M10047414P [0,1,0,1,0,0|1,0,0]=3 301 B9R1.6 O=C(C1NCCSC1)O M10168222P [0,1,0,1,0,0|1,0,0]=3 302 B9R1.6 O=C(Cl)C1CCOCC1 M10241966P [0,1,0,1,0,0|1,0,0]=3 303 B9R1.6 O=C([C@@H]1NCCNC1)O M10723219P [0,1,0,1,0,0|1,0,0]=3 304 B9R1.6 O=C([C@H]1CNCCC1)O M11020814P [0,1,0,1,0,0|0,0,0]=2 305 B9R1.35 N[C@@H]1C=C[C@H](C(O)=O)C1 M10732338P [0,1,0,1,0,0|0,0,2]=4 306 B9R1.35 N[C@H]1C=C[C@@H](C(O)=O)C1 M10732337P [0,1,0,1,0,0|0,0,2]=4 307 B9R1.35 N[C@H]1C=C[C@@H](C(O)=O)C1 M10737963P [0,1,0,1,0,0|0,0,2]=4 308 B9R1.35 O=C(C1CC(CC1)=O)O M10002671P [0,1,0,1,0,0|0,0,1]=3 309 B9R1.35 O=C(C1CN(C)CC1)O M10190927P [0,1,0,1,0,0|1,0,0]=3 310 B9R1.35 O=C(C1CN(C)CC1)O M10254714P [0,1,0,1,0,0|1,0,0]=3 311 B9R1.35 O=C([C@@H]1CCC(O1)=O)O M10170449P [0,1,0,1,0,0|1,0,1]=4 312 B9R1.35 O=C([C@@H]1NC[C@@H](O)C1)O M10758337P [0,1,0,1,0,0|1,0,0]=3 313 B9R1.35 O=C([C@@H]1NC[C@H](O)C1)O M10467856P [0,1,0,1,0,0|1,0,0]=3 314 B9R1.35 O=C([C@H]1CCC(O1)=O)O M10271394P [0,1,0,1,0,0|1,0,1]=4 315 B9R1.35 O=C1OC[C@H](C(C)C)N1 M10146629P [0,1,0,1,0,0|2,0,0]=4 316 B9R1.93 O=C([C@]1(N)[C@H](C=C)C1)O M10788000P [0,1,0,1,0,0|0,0,2]=4 317 B9R1.163 O=C([C@@]1(C)NCCC1)O M10249798P [0,1,0,1,0,0|1,0,0]=3 318 B9R1.163 O=C([C@]1(C)NCCC1)O M10392222P [0,1,0,1,0,0|1,0,0]=3 319 B9R1.10 NC1CCS(CC1)(=O)=O M10701914P [0,1,0,1,0,0|1,0,1]=4 320 B9R2.25 O=C1OC(C2CC12)=O M10078252P [0,0,0,2,0,0|1,0,1]=4 321 B9R2.174 O1CC12CCCCC2 M10005989P [0,0,0,2,0,0|1,0,1]=4