0 B8R1.1 O=C1NCC(CN)C1 M10938946P [0,0,0,0,0,0|3,0,0]=3 1 B8R1.1 O=C1N[C@@H](CO)CC1 M10421051P [0,0,0,0,0,0|2,0,0]=2 2 B8R1.1 O=C1N[C@H](CBr)CC1 M10447477P [0,0,0,0,0,0|2,0,0]=2 3 B8R1.1 O=C1N[C@H](CN)CC1 M10768385P [0,0,0,0,0,0|2,0,0]=2 4 B8R1.1 O=C1N[C@H](CO)CC1 M10148902P [0,0,0,0,0,0|2,0,0]=2 5 B8R1.1 O=C1OCC(CO)O1 M10023416P [0,0,0,0,0,0|2,0,0]=2 6 B8R1.1 O=C1O[C@H](CO)C=C1 M10471936P [0,0,0,0,0,0|1,0,2]=3 7 B8R1.1 O=C1O[C@H](CO)CC1 M10218224P [0,0,0,0,0,0|1,0,0]=1 8 B8R1.1 OC[C@@H]1CN(C)CC1 M11113858P [0,0,0,0,0,0|4,0,0]=4 9 B7R1.1 BrCC1CCCC1 M10057867P [1,0,0,0,0,0|2,0,1]=4 10 B7R1.1 CCC1=NCCO1 M10115051P [1,0,0,0,0,0|1,0,2]=4 11 B7R1.1 COC1CCCC1 M10078199P [1,0,0,0,0,0|2,0,1]=4 12 B7R1.1 COC1CNCC1 M10742008P [1,0,0,0,0,0|3,0,0]=4 13 B7R1.1 ClCC1OCCO1 M10045516P [1,0,0,0,0,0|2,0,1]=4 14 B7R1.1 NCC1CCCC1 M10302882P [1,0,0,0,0,0|2,0,1]=4 15 B7R1.1 NCC1COCC1 M10794275P [1,0,0,0,0,0|3,0,0]=4 16 B7R1.1 NCC1COCC1 M10812914P [1,0,0,0,0,0|3,0,0]=4 17 B7R1.1 NCC1OCCC1 M10066380P [1,0,0,0,0,0|1,0,1]=3 18 B7R1.1 NC[C@@H]1OCCC1 M10102346P [1,0,0,0,0,0|1,0,1]=3 19 B7R1.1 NC[C@H]1OCCC1 M10102169P [1,0,0,0,0,0|1,0,1]=3 20 B7R1.1 O=CC1OCCC1 M10109701P [1,0,0,0,0,0|1,0,2]=4 21 B7R1.1 OCC1COCC1 M10138830P [1,0,0,0,0,0|3,0,0]=4 22 B7R1.1 OCC1OCCO1 M10079280P [1,0,0,0,0,0|2,0,1]=4 23 B7R1.1 OC[C@@H]1CNCC1 M10673087P [1,0,0,0,0,0|3,0,0]=4 24 B7R1.1 OC[C@H]1CNCC1 M10673086P [1,0,0,0,0,0|3,0,0]=4 25 B7R1.2 CC1OS(OC1)=O M10031271P [1,0,0,0,0,0|2,0,0]=3 26 B7R1.2 N[C@H]1COC(C1)=O M10174878P [1,0,0,0,0,0|3,0,0]=4 27 B7R1.2 O=C1CC(CC1)=O M10058164P [1,0,0,0,0,0|2,0,1]=4 28 B7R1.2 O=C1CN(C)CC1 M10472463P [1,0,0,0,0,0|2,0,0]=3 29 B7R1.2 O=C1NC(CC1)=O M10004579P [1,0,0,0,0,0|2,0,1]=4 30 B7R1.2 O=C1NCC(O1)=O M10040935P [1,0,0,0,0,0|2,0,1]=4 31 B7R1.2 O=C1OC(C)=CC1 M10015036P [1,0,0,0,0,0|0,0,2]=3 32 B7R1.2 O=C1OC(CO1)C M10003516P [1,0,0,0,0,0|1,0,0]=2 33 B7R1.2 O=C1OCC(Cl)O1 M10058922P [1,0,0,0,0,0|2,0,0]=3 34 B7R1.2 O=C1OCC(F)O1 M10694293P [1,0,0,0,0,0|2,0,0]=3 35 B7R1.2 O=C1OC[C@H](C)O1 M10258723P [1,0,0,0,0,0|1,0,0]=2 36 B7R1.2 O=C1OC[C@H](O)C1 M10299052P [1,0,0,0,0,0|3,0,0]=4 37 B9R1.21 OCC1OC(CO)CC1 M10003191P [0,1,0,0,0,0|1,0,2]=4 38 B9R1.35 O=C(C1CC(CC1)=O)O M10002671P [0,1,0,0,0,0|2,0,1]=4 39 B9R1.35 O=C([C@@H]1CCC(O1)=O)O M10170449P [0,1,0,0,0,0|1,0,1]=3 40 B9R1.35 O=C([C@H]1CCC(O1)=O)O M10271394P [0,1,0,0,0,0|1,0,1]=3 41 B9R1.35 O=C1OC[C@H](C(C)C)N1 M10146629P [0,1,0,0,0,0|2,0,0]=3 42 B7R0.2 CC(N)CC(C)CC M10003248P [0,0,1,0,0,0|2,0,1]=4 43 B7R0.2 O=C(Cl)OC(C)CC M10149751P [0,0,1,0,0,0|1,0,0]=2 44 B7R0.3 C=CC(NCCC)=O M10192147P [0,0,1,0,0,0|1,0,2]=4 45 B7R0.3 O=C(OC)CCC=O M10126962P [0,0,1,0,0,0|1,0,2]=4 46 B7R0.3 O=C(OC)CCCN M10119950P [0,0,1,0,0,0|3,0,0]=4 47 B7R0.3 O=C(OCC=C)CCl M10049025P [0,0,1,0,0,0|1,0,2]=4 48 B7R0.3 O=C(OCCC)CBr M10226573P [0,0,1,0,0,0|1,0,0]=2 49 B7R0.4 CC(CCCCBr)=O M10113189P [0,0,1,0,0,0|2,0,0]=3 50 B7R0.4 CC(N)CCCCC M10004600P [0,0,1,0,0,0|2,0,1]=4 51 B7R0.4 CC(OCCOC)=O M10003718P [0,0,1,0,0,0|3,0,0]=4 52 B7R0.4 CCCCCB(O)O M10065828P [0,0,1,0,0,0|1,0,1]=3 53 B7R0.4 CCCCCC(Cl)=O M10005436P [0,0,1,0,0,0|1,0,0]=2 54 B7R0.4 O=C(Cl)OCCCCl M10016962P [0,0,1,0,0,0|3,0,0]=4 55 B7R0.4 O=C(N)COCCCl M10232141P [0,0,1,0,0,0|3,0,0]=4 56 B7R0.4 O=C(N)NCCCC M10195780P [0,0,1,0,0,0|2,0,0]=3 57 B7R0.4 O=C(N)NCCCC M10200467P [0,0,1,0,0,0|2,0,0]=3 58 B7R0.4 O=C(O)CCCC#N M10239045P [0,0,1,0,0,0|1,0,1]=3 59 B7R0.4 O=C(O)CCCCO M10123275P [0,0,1,0,0,0|1,0,0]=2 60 B7R0.4 O=C(O)CCOCC M10062024P [0,0,1,0,0,0|1,0,0]=2 61 B7R0.4 O=C(O)CNCCN M10183221P [0,0,1,0,0,0|2,0,0]=3 62 B7R0.4 O=C(O)COCCC M10276951P [0,0,1,0,0,0|1,0,0]=2 63 B7R0.4 O=C([O-])CCCCO M10233260P [0,0,1,0,0,0|1,0,1]=3 64 B7R1.10 N#CC1CC(C1)=O M10164982P [0,0,0,0,1,0|2,0,1]=4 65 B7R1.10 O=C1CC(CO)C1 M10810765P [0,0,0,0,1,0|2,0,0]=3 66 B9R1.1 N#CC1CCC(CC1)=O M10225432P [0,0,0,0,0,1|2,0,1]=4 67 B9R1.1 O=C1CCC(OC)CC1 M10124180P [0,0,0,0,0,1|2,0,0]=3 68 B9R1.1 O=C1NCC(CO)CC1 M10769348P [0,0,0,0,0,1|2,0,0]=3 69 B6R0.1 C=CC(OCC)=O M10186126P [1,0,1,0,0,0|0,0,2]=4 70 B6R0.1 CCCC(NN)=O M10055378P [1,0,1,0,0,0|2,0,0]=4 71 B6R0.1 O=C(C#N)OCC M10016649P [1,0,1,0,0,0|1,0,1]=4 72 B6R0.1 O=C(OC)CCN M10060379P [1,0,1,0,0,0|2,0,0]=4 73 B6R0.1 O=C(OCC)CBr M10003242P [1,0,1,0,0,0|1,0,0]=3 74 B6R0.1 O=C(OCC)CN M10011247P [1,0,1,0,0,0|1,0,0]=3 75 B6R0.2 CC(OC(Br)C)=O M10242154P [1,0,1,0,0,0|1,0,0]=3 76 B6R0.4 C#CCCC(O)=O M10083651P [1,0,1,0,0,0|0,0,2]=4 77 B6R0.4 CC(C)CCC=O M10027096P [1,0,1,0,0,0|1,0,0]=3 78 B6R0.4 CC(CCCBr)=O M10058337P [1,0,1,0,0,0|2,0,0]=4 79 B6R0.4 CC(NCCO)=O M10005418P [1,0,1,0,0,0|2,0,0]=4 80 B6R0.4 CC(O)CCCO M10016886P [1,0,1,0,0,0|0,0,2]=4 81 B6R0.4 CC(OCCO)=O M10013697P [1,0,1,0,0,0|1,0,0]=3 82 B6R0.4 CC\C=C\C(O)=O M10016889P [1,0,1,0,0,0|0,0,2]=4 83 B6R0.4 O=C(Cl)CCCBr M10023246P [1,0,1,0,0,0|2,0,0]=4 84 B6R0.4 O=C(Cl)OCCCl M10016902P [1,0,1,0,0,0|2,0,0]=4 85 B6R0.4 O=C(O)CCC#N M10140304P [1,0,1,0,0,0|1,0,1]=4 86 B6R0.4 O=C(O)CCCCl M10016891P [1,0,1,0,0,0|1,0,0]=3 87 B6R0.4 O=C(O)CCOC M10045190P [1,0,1,0,0,0|1,0,0]=3 88 B6R0.4 O=C(O)CCSC M10017612P [1,0,1,0,0,0|1,0,0]=3 89 B6R0.4 O=C(O)COCC M10016894P [1,0,1,0,0,0|1,0,0]=3 90 B6R0.4 O=[Sn](CCCC)O M10042008P [1,0,1,0,0,0|1,0,0]=3 91 B6R0.6 C=CCCCCCl M10208182P [1,0,1,0,0,0|2,0,0]=4 92 B6R0.6 CCCCCCI M10197538P [1,0,1,0,0,0|1,0,1]=4 93 B6R0.6 CCCCC[Mg]Br M10018552P [1,0,1,0,0,0|2,0,0]=4 94 B6R0.6 CCCOCCCl M10247973P [1,0,1,0,0,0|1,0,1]=4 95 B6R0.6 OCCCCNC M10247660P [1,0,1,0,0,0|1,0,1]=4 96 B6R0.6 [Li]CCCCCC M10170025P [1,0,1,0,0,0|1,0,1]=4 97 B6R0.9 CCC(CC)C=O M10002597P [1,0,1,0,0,0|0,0,0]=2 98 B6R0.9 O=CN(CC)CC M10016308P [1,0,1,0,0,0|1,0,0]=3 99 B6R1.2 CC1=NCCO1 M10027175P [2,0,0,0,0,0|2,0,0]=4 100 B6R1.2 C[C@H]1NCCC1 M10246674P [2,0,0,0,0,0|1,0,1]=4 101 B6R1.2 NC1=NCCC1 M10108538P [2,0,0,0,0,0|2,0,0]=4 102 B6R1.2 O=C1CNCC1 M10002481P [2,0,0,0,0,0|2,0,0]=4 103 B6R1.2 O=C1CNCC1 M10057424P [2,0,0,0,0,0|2,0,0]=4 104 B6R1.2 O=C1NCNC1 M10035055P [2,0,0,0,0,0|2,0,0]=4 105 B6R1.2 O=C1NCNC1 M10140916P [2,0,0,0,0,0|2,0,0]=4 106 B6R1.2 O=C1OCCO1 M10002484P [2,0,0,0,0,0|1,0,0]=3 107 B6R1.2 O=C1SCCN1 M10046694P [2,0,0,0,0,0|1,1,0]=4 108 B6R1.2 O=S1OCCO1 M10057276P [2,0,0,0,0,0|2,0,0]=4 109 B8R0.2 CCC(C)C(C([O-])=O)=O M10422004P [0,1,1,0,0,0|2,0,0]=4 110 B8R0.2 CC[C@@H](C)[C@H](N)C(O)=O M10031965P [0,1,1,0,0,0|2,0,0]=4 111 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O M10115315P [0,1,1,0,0,0|2,0,0]=4 112 B8R0.5 CC(OC(C)=O)COC M10497504P [0,1,1,0,0,0|0,0,0]=2 113 B8R0.34 CC(CC(SC)(C)C)=O M10180522P [0,1,1,0,0,0|2,0,0]=4 114 B8R0.1 O=C(OCC)CCCBr M10049666P [0,1,1,0,0,0|2,0,0]=4 115 B8R0.1 O=C(OCC)CCCCl M10051695P [0,1,1,0,0,0|2,0,0]=4 116 B8R0.1 O=C(OCC)CCCN M10097497P [0,1,1,0,0,0|2,0,0]=4 117 B8R0.1 O=C(OCC)COCC M10021200P [0,1,1,0,0,0|2,0,0]=4 118 B8R0.1 O=C(OCC)NCCCl M10089881P [0,1,1,0,0,0|2,0,0]=4 119 B8R0.3 CCC(C(OCC)=O)=O M10139497P [0,1,1,0,0,0|2,0,0]=4 120 B8R0.3 CCCC(Br)C(OC)=O M10159141P [0,1,1,0,0,0|2,0,0]=4 121 B8R0.3 CCC[C@H](N)C(OC)=O M10289219P [0,1,1,0,0,0|2,0,0]=4 122 B8R0.3 O=CC[C@@H]([C@@H](CO)O)O M10013409P [0,1,1,0,0,0|1,0,0]=3 123 B8R0.6 O=C(OC)CCCCCl M10129961P [0,1,1,0,0,0|2,0,0]=4 124 B8R0.6 O=C(OCCCC)CCl M10014991P [0,1,1,0,0,0|1,0,0]=3 125 B8R0.6 O=C(OCCCC)CO M10104696P [0,1,1,0,0,0|1,0,0]=3 126 B8R0.8 CC(O)C(OCCC)=O M10016208P [0,1,1,0,0,0|0,0,0]=2 127 B8R0.8 C[C@H](N)C(CCCC)=O M10784855P [0,1,1,0,0,0|1,0,0]=3 128 B8R0.8 C[C@H](O)C(OCCC)=O M10271936P [0,1,1,0,0,0|0,0,0]=2 129 B8R0.9 C=CC(OCC(O)C)=O M10024755P [0,1,1,0,0,0|0,0,2]=4 130 B8R0.7 BrCCCCOC(C)=O M10065998P [0,1,1,0,0,0|2,0,0]=4 131 B8R0.7 C#CCCCCC(O)=O M10212111P [0,1,1,0,0,0|0,0,1]=3 132 B8R0.7 C=CCCCCC(O)=O M10027121P [0,1,1,0,0,0|0,0,1]=3 133 B8R0.7 CC(O)CCCCCC M10060290P [0,1,1,0,0,0|1,0,1]=4 134 B8R0.7 CC(O)COCCCC M10069007P [0,1,1,0,0,0|1,0,1]=4 135 B8R0.7 CCCCCCB(O)O M10142242P [0,1,1,0,0,0|1,0,1]=4 136 B8R0.7 CCCC\C=C\C(O)=O M10158440P [0,1,1,0,0,0|0,0,1]=3 137 B8R0.7 CSCCCOC(C)=O M10144018P [0,1,1,0,0,0|2,0,0]=4 138 B8R0.7 C[C@@H](O)CCCCCC M10082518P [0,1,1,0,0,0|1,0,1]=4 139 B8R0.7 C[C@H](O)CCCCCC M10084602P [0,1,1,0,0,0|1,0,1]=4 140 B8R0.7 O=C(Cl)CCCCCBr M10176911P [0,1,1,0,0,0|1,0,0]=3 141 B8R0.7 O=C(Cl)OCCCCC M10017366P [0,1,1,0,0,0|1,0,0]=3 142 B8R0.7 O=C(Cl)OCCOCC M10016994P [0,1,1,0,0,0|2,0,0]=4 143 B8R0.7 O=C(O)CCCCCN M10196151P [0,1,1,0,0,0|0,0,0]=2 144 B8R0.7 O=C(O)COCCCC M10044886P [0,1,1,0,0,0|0,0,0]=2 145 B8R0.7 O=C(O)COCCOC M10140131P [0,1,1,0,0,0|1,0,0]=3 146 B8R0.28 O=C(O)CCCN(C)C M10436635P [0,1,1,0,0,0|1,0,0]=3 147 B8R1.7 CC([C@@H]1OCCC1)=O M10934991P [1,1,0,0,0,0|0,0,2]=4 148 B8R1.7 CC([C@H]1OCCC1)=O M10733047P [1,1,0,0,0,0|0,0,2]=4 149 B8R1.8 N#CCC1OCCC1 M10220315P [1,1,0,0,0,0|0,0,2]=4 150 B8R1.8 NCCC1CCCC1 M10080142P [1,1,0,0,0,0|1,0,1]=4 151 B8R1.8 NCCC1CCCC1 M10940920P [1,1,0,0,0,0|1,0,1]=4 152 B8R1.52 CC1(CC)OCCO1 M10004707P [1,1,0,0,0,0|1,0,1]=4 153 B8R1.52 OC1(CC)CCCC1 M10031173P [1,1,0,0,0,0|1,0,1]=4 154 B8R1.18 O=C1CC(C)C(C)C1 M10207594P [1,1,0,0,0,0|1,0,0]=3 155 B8R1.50 O=C1C(C(C)CC1)=O M10020173P [1,1,0,0,0,0|1,0,0]=3 156 B10R1.13 O=C1CCC(C(C)C)CC1 M10074366P [0,1,0,0,0,1|1,0,0]=3 157 B10R1.13 O=C1CCN(C(C)C)CC1 M10072037P [0,1,0,0,0,1|2,0,0]=4 158 B10R1.14 O=C(C1CC(CC1)=O)OC M10218340P [0,2,0,0,0,0|1,0,1]=4 159 B10R1.130 O=C1OC(OCC)C(Br)=C1 M10218819P [0,2,0,0,0,0|0,0,2]=4 160 B10R1.34 O[C@@H]1[C@@H]([C@@H](CO)OC1=O)O M10193842P [0,2,0,0,0,0|1,0,0]=3 161 B8R1.4 O=C1CN(C)CCC1 M10077248P [0,0,1,1,0,0|2,0,0]=4 162 B8R1.2 COC1CCC=CO1 M11192011P [0,0,1,1,0,0|2,0,0]=4 163 B8R1.2 OCC1=CCCCO1 M12277756P [0,0,1,1,0,0|2,0,0]=4 164 B8R1.3 OC1CCC(C)CC1 M10014985P [0,0,1,1,0,0|1,0,1]=4 165 B8R1.3 OC1CCC(N)CC1 M10096706P [0,0,1,1,0,0|1,0,1]=4 166 B8R1.3 O[C@H]1CC[C@H](C)CC1 M10110148P [0,0,1,1,0,0|1,0,1]=4 167 B8R1.3 O[C@H]1CC[C@H](O)CC1 M10100025P [0,0,1,1,0,0|0,0,2]=4 168 B8R1.5 O=C1C(C)CCCC1 M10014758P [0,0,1,1,0,0|1,0,0]=3 169 B8R1.5 O=C1C(Cl)CCCC1 M10021353P [0,0,1,1,0,0|2,0,0]=4 170 B8R1.5 O=C1C(N)CCCC1 M10098058P [0,0,1,1,0,0|2,0,0]=4 171 B8R1.22 O=C1CCNCCC1 M10254302P [0,0,1,1,0,0|2,0,0]=4 172 B8R1.22 OC1CCCCCC1 M10012473P [0,0,1,1,0,0|1,0,1]=4 173 B8R1.38 O=C(C1CCC1)NC M10122966P [0,0,1,1,0,0|2,0,0]=4 174 B8R1.38 O=C(C1CCC1)OC M10020178P [0,0,1,1,0,0|2,0,0]=4 175 B8R2.34 C12CC(C=C1)CC2 M10012355P [1,0,0,1,0,0|1,0,0]=3 176 B10R2.335 O=C1CCC2(CC1)CC2 M10138687P [0,0,0,1,0,1|1,0,0]=3 177 B10R2.2 O=C1C[C@H]2C=CC[C@H]2O1 M10276880P [0,1,0,1,0,0|0,0,1]=3 178 B10R2.2 O=C1O[C@@H]2CC=C[C@@H]2C1 M10226870P [0,1,0,1,0,0|0,0,1]=3 179 B10R2.332 O=C1CC2(CN1)COC2 M11113129P [0,1,0,1,0,0|2,0,0]=4 180 B6R0.3 CC(C(S)CC)=O M10426560P [0,0,1,0,1,0|1,0,0]=3 181 B6R0.3 CC(NC)C(O)=O M10015418P [0,0,1,0,1,0|2,0,0]=4 182 B6R0.3 CC(OC)C(O)=O M10062023P [0,0,1,0,1,0|2,0,0]=4 183 B6R0.3 CCC(Br)C(Br)=O M10192304P [0,0,1,0,1,0|2,0,0]=4 184 B6R0.3 C[C@@H](NC)C(O)=O M10206333P [0,0,1,0,1,0|2,0,0]=4 185 B6R1.6 NCC1OCC1 M11018010P [1,0,0,0,1,0|1,0,0]=3 186 B6R1.6 OC[C@H]1NCC1 M10655012P [1,0,0,0,1,0|2,0,0]=4