0 B6R0.6 BrCCOCCBr OR42237 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 C#CCCCCC OR5511 [0,0,0,0,0,0|1,0,3]=4 2 B6R0.6 C#CCCCCO OR30592 [0,0,0,0,0,0|0,0,4]=4 3 B6R0.6 C=CCCCCC OR01828 [0,0,0,0,0,0|1,0,3]=4 4 B6R0.6 C=CCCCCO OR14506 [0,0,0,0,0,0|0,0,4]=4 5 B6R0.6 CCCCCC=O OR6051 [0,0,0,0,0,0|0,0,4]=4 6 B6R0.6 CCCCCCCl OR52582 [0,0,0,0,0,0|1,0,2]=3 7 B6R0.6 CCCCCCI OR2177 [0,0,0,0,0,0|1,0,2]=3 8 B6R0.6 CCCCCCN OR5310 [0,0,0,0,0,0|1,0,2]=3 9 B6R0.6 CCCCCCS OR40389 [0,0,0,0,0,0|0,1,2]=3 10 B6R0.6 CCCCCNC OR60037 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.6 CCCNCCC OR19539 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.6 CCC\C=C\C=O OR6052 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.6 CCOC=CC#N OR46505 [0,0,0,0,0,0|2,0,2]=4 14 B6R0.6 CCOCOCC OR51849 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.6 C\C=C\C=C\C=O OR6049 [0,0,0,0,0,0|0,0,4]=4 16 B6R0.6 C\C=C\C=C\CO OR13712 [0,0,0,0,0,0|0,0,2]=2 17 B6R0.6 ClCCCCCBr OR24918 [0,0,0,0,0,0|2,0,2]=4 18 B6R0.6 ClCCCCCI OR2936 [0,0,0,0,0,0|2,0,2]=4 19 B6R0.6 ClCCNCCCl OR27981 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.6 ICCOCCI OR18271 [0,0,0,0,0,0|3,0,1]=4 21 B6R0.6 NCCCCCN OR59990 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.6 NCCCCCO OR10081 [0,0,0,0,0,0|1,0,2]=3 23 B6R0.6 NCCCCCO OR51934 [0,0,0,0,0,0|1,0,2]=3 24 B6R0.6 NCCCCCO OR55441 [0,0,0,0,0,0|1,0,2]=3 25 B6R0.6 NCCSCCO OR28868 [0,0,0,0,0,0|2,0,1]=3 26 B6R0.6 OCCCCCCl OR6509 [0,0,0,0,0,0|1,0,2]=3 27 B6R0.6 OCCNCCO OR40730 [0,0,0,0,0,0|2,0,1]=3 28 B6R0.6 OCCOCCO OR59808 [0,0,0,0,0,0|2,0,1]=3 29 B5R0.2 BrC\C=C\CBr OR3193 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.2 C#CCCCC OR0049 [1,0,0,0,0,0|1,0,2]=4 31 B5R0.2 C#CCCCO OR5518 [1,0,0,0,0,0|0,0,3]=4 32 B5R0.2 C=CCCCBr OR30608 [1,0,0,0,0,0|1,0,2]=4 33 B5R0.2 C=COCCO OR904259 [1,0,0,0,0,0|1,0,1]=3 34 B5R0.2 CCC#CCC OR5524 [1,0,0,0,0,0|0,0,2]=3 35 B5R0.2 CCC#CCO OR5519 [1,0,0,0,0,0|0,0,2]=3 36 B5R0.2 CCCCC=O OR5422 [1,0,0,0,0,0|0,0,3]=4 37 B5R0.2 CCCCCBr OR5396 [1,0,0,0,0,0|1,0,1]=3 38 B5R0.2 CCCCCI OR53033 [1,0,0,0,0,0|1,0,1]=3 39 B5R0.2 CCCCCN OR10079 [1,0,0,0,0,0|1,0,1]=3 40 B5R0.2 CCCCCO OR5324 [1,0,0,0,0,0|0,0,1]=2 41 B5R0.2 CCCC[Mg]Br OR320111 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.2 CCNCCN OR6517 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.2 CCO\C=C/Br OR10832 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.2 CCSCCCl OR10841 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.2 CCSCCN OR8640 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.2 CNCCCO OR309167 [1,0,0,0,0,0|1,0,1]=3 47 B5R0.2 COCCCBr OR911631 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.2 COCCCN OR54484 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.2 COCCCO OR0976 [1,0,0,0,0,0|1,0,1]=3 50 B5R0.2 CSCCCN OR12831 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.2 ClCCCCBr OR919950 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.2 ClCCCCI OR61420 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.2 ICCCCI OR460062 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.2 OCCCCBr OR4233 [1,0,0,0,0,0|1,0,1]=3 55 B5R0.2 OCCCCCl OR13226 [1,0,0,0,0,0|1,0,1]=3 56 B7R0.1 BrCCCCCCBr OR4509 [0,1,0,0,0,0|1,0,2]=4 57 B7R0.1 C#CCCCCCC OR5513 [0,1,0,0,0,0|1,0,2]=4 58 B7R0.1 CCCCCCC=O OR6047 [0,1,0,0,0,0|0,0,3]=4 59 B7R0.1 CCCCCCCBr OR2158 [0,1,0,0,0,0|1,0,2]=4 60 B7R0.1 CCCCCCCCl OR18055 [0,1,0,0,0,0|1,0,2]=4 61 B7R0.1 CCCCCCCI OR5427 [0,1,0,0,0,0|1,0,2]=4 62 B7R0.1 CCCCCC[Mg]Cl OR320008 [0,1,0,0,0,0|1,0,2]=4 63 B7R0.1 CCCCCOCC OR51880 [0,1,0,0,0,0|1,0,2]=4 64 B7R0.1 CCCCNCCN OR6518 [0,1,0,0,0,0|1,0,2]=4 65 B7R0.1 CCCC\C=C\C=O OR6048 [0,1,0,0,0,0|2,0,1]=4 66 B7R0.1 CC\C=C\C=C\C=O OR6046 [0,1,0,0,0,0|0,0,3]=4 67 B7R0.1 ICCCCCCI OR3172 [0,1,0,0,0,0|1,0,2]=4 68 B7R0.1 NCCCCCCN OR8838 [0,1,0,0,0,0|1,0,2]=4 69 B7R0.1 NCCCCCCO OR13708 [0,1,0,0,0,0|0,0,2]=3 70 B7R0.1 OCCCCCCBr OR10365 [0,1,0,0,0,0|0,0,2]=3 71 B7R0.1 OCCCCCCCl OR6510 [0,1,0,0,0,0|0,0,2]=3 72 B7R0.1 OCCCCCCO OR322268 [0,1,0,0,0,0|0,0,2]=3 73 B7R0.3 CCC=CC(=O)OC OR40582 [0,1,0,0,0,0|2,0,1]=4 74 B7R0.3 CCCCC(C)CC OR9114 [0,1,0,0,0,0|1,0,2]=4 75 B7R0.3 CCCC[C@@H](N)CO OR316035 [0,1,0,0,0,0|0,0,2]=3 76 B7R0.3 CCCC[C@H](N)CO OR316034 [0,1,0,0,0,0|0,0,2]=3 77 B7R0.3 CC\C(C)=C\CCBr OR3009 [0,1,0,0,0,0|1,0,0]=2 78 B7R0.3 CC\C=C\C(=O)OC OR6667 [0,1,0,0,0,0|2,0,1]=4 79 B7R0.3 COC(=O)C=CCBr OR10966 [0,1,0,0,0,0|2,0,1]=4 80 B7R0.3 COC(=O)CCCN OR22446 [0,1,0,0,0,0|2,0,1]=4 81 B7R0.4 CC(=O)NCCCO OR26764 [0,1,0,0,0,0|1,0,2]=4 82 B7R0.4 CCCCCC(=O)O OR6007 [0,1,0,0,0,0|0,0,3]=4 83 B7R0.4 CCCCCC(C)N OR10072 [0,1,0,0,0,0|1,0,2]=4 84 B7R0.4 CCC\C=C\B(O)O OR10576 [0,1,0,0,0,0|1,0,2]=4 85 B7R0.4 CCOC=CC(=O)O OR27579 [0,1,0,0,0,0|1,0,2]=4 86 B7R0.4 C\C=C\CCC(=O)O OR60122 [0,1,0,0,0,0|0,0,3]=4 87 B7R0.7 CCCC(=O)OCCl OR16070 [0,1,0,0,0,0|2,0,1]=4 88 B7R0.7 CCCC(N)CCC OR6158 [0,1,0,0,0,0|1,0,2]=4 89 B7R0.7 CCNC(=O)CC#N OR23490 [0,1,0,0,0,0|2,0,1]=4 90 B7R0.7 CCNC(=O)CNC OR12098 [0,1,0,0,0,0|3,0,0]=4 91 B7R0.7 CCNC(=O)NCC OR323264 [0,1,0,0,0,0|3,0,0]=4 92 B7R0.7 CCOC(=O)CC#N OR28668 [0,1,0,0,0,0|2,0,1]=4 93 B7R0.7 CCOC(=O)CCCl OR54512 [0,1,0,0,0,0|2,0,0]=3 94 B7R0.7 CCOC(=O)CCN OR26826 [0,1,0,0,0,0|2,0,0]=3 95 B7R0.7 CCOC(=O)COC OR30271 [0,1,0,0,0,0|3,0,0]=4 96 B7R0.7 O=C(CCCl)CCCl OR53098 [0,1,0,0,0,0|2,0,1]=4 97 B7R0.7 [C-]#[N+]CC(=O)OCC OR18110 [0,1,0,0,0,0|3,0,0]=4 98 B7R1.1 BrCC1=CN=CO1 OR59852 [0,0,0,1,0,0|2,0,1]=4 99 B7R1.1 BrCC1CCCC1 OR18584 [0,0,0,1,0,0|1,0,2]=4 100 B7R1.1 BrCC1CCCO1 OR23265 [0,0,0,1,0,0|1,0,2]=4 101 B7R1.1 BrCC1OCCO1 OR54338 [0,0,0,1,0,0|2,0,1]=4 102 B7R1.1 CCC1=CC=CN1 OR42007 [0,0,0,1,0,0|1,0,2]=4 103 B7R1.1 CCC1=CC=CO1 OR6028 [0,0,0,1,0,0|0,0,2]=3 104 B7R1.1 CCC1=CC=CS1 OR7250 [0,0,0,1,0,0|0,1,2]=4 105 B7R1.1 CCC1=CSC=N1 OR303339 [0,0,0,1,0,0|2,0,1]=4 106 B7R1.1 ClCC1=CC=CO1 OR310257 [0,0,0,1,0,0|1,0,2]=4 107 B7R1.1 ClCC1=NCCN1 OR7709 [0,0,0,1,0,0|3,0,0]=4 108 B7R1.1 ICC1CCCC1 OR16976 [0,0,0,1,0,0|1,0,2]=4 109 B7R1.1 NCC1=CC=CO1 OR23026 [0,0,0,1,0,0|1,0,2]=4 110 B7R1.1 NCC1=CN=CO1 OR59854 [0,0,0,1,0,0|2,0,1]=4 111 B7R1.1 NCC1CCCO1 OR10076 [0,0,0,1,0,0|1,0,2]=4 112 B7R1.1 NCC1CCOC1 OR17201 [0,0,0,1,0,0|2,0,1]=4 113 B7R1.1 NC[C@H]1CCCN1 OR307046 [0,0,0,1,0,0|2,0,1]=4 114 B7R1.1 OCC1=CC=CO1 OR23024 [0,0,0,1,0,0|1,0,2]=4 115 B7R1.1 OCC1=CC=CS1 OR59889 [0,0,0,1,0,0|1,0,2]=4 116 B7R1.1 OCC1=CC=NS1 OR18560 [0,0,0,1,0,0|2,0,1]=4 117 B7R1.1 OCC1=CN=CO1 OR3790 [0,0,0,1,0,0|2,0,1]=4 118 B7R1.1 OCC1=COC=C1 OR23029 [0,0,0,1,0,0|1,0,2]=4 119 B7R1.1 OCC1=CSC=C1 OR10141 [0,0,0,1,0,0|1,0,2]=4 120 B7R1.1 OCC1=NNC=C1 OR52395 [0,0,0,1,0,0|2,0,1]=4 121 B7R1.1 OCC1=NOC=C1 OR305308 [0,0,0,1,0,0|2,0,1]=4 122 B7R1.1 OCC1CCCC1 OR46003 [0,0,0,1,0,0|0,0,2]=3 123 B7R1.1 OCC1CCCN1 OR13968 [0,0,0,1,0,0|1,0,1]=3 124 B7R1.1 OCC1CCNC1 OR309156 [0,0,0,1,0,0|1,0,1]=3 125 B7R1.1 OCC1CCOC1 OR322139 [0,0,0,1,0,0|1,0,1]=3 126 B7R1.1 OC[C@@H]1CCCN1 OR5872 [0,0,0,1,0,0|1,0,1]=3 127 B7R1.1 OC[C@@H]1CCCO1 OR40670 [0,0,0,1,0,0|1,0,1]=3 128 B7R1.1 OC[C@@H]1CCNC1 OR309158 [0,0,0,1,0,0|1,0,1]=3 129 B7R1.1 OC[C@H]1CCCN1 OR14514 [0,0,0,1,0,0|1,0,1]=3 130 B7R1.1 OC[C@H]1CCCO1 OR307767 [0,0,0,1,0,0|1,0,1]=3 131 B7R1.1 OC[C@H]1CCNC1 OR309159 [0,0,0,1,0,0|1,0,1]=3 132 B7R1.3 BrC1CCOCC1 OR19531 [0,0,0,1,0,0|2,0,1]=4 133 B7R1.3 CC1=CCCCC1 OR7135 [0,0,0,1,0,0|1,0,2]=4 134 B7R1.3 CC1CCCCN1 OR8797 [0,0,0,1,0,0|1,0,2]=4 135 B7R1.3 CC1CCCNC1 OR5090 [0,0,0,1,0,0|2,0,1]=4 136 B7R1.3 CC1CCNCC1 OR8800 [0,0,0,1,0,0|2,0,1]=4 137 B7R1.3 CC1CCOCO1 OR10967 [0,0,0,1,0,0|1,0,2]=4 138 B7R1.3 CC1CNCCN1 OR4860 [0,0,0,1,0,0|2,0,1]=4 139 B7R1.3 CC1CNCCO1 OR301073 [0,0,0,1,0,0|1,0,1]=3 140 B7R1.3 CC1COCCN1 OR41010 [0,0,0,1,0,0|2,0,1]=4 141 B7R1.3 C[C@@H]1CCCCN1 OR313055 [0,0,0,1,0,0|1,0,2]=4 142 B7R1.3 C[C@@H]1CNCCN1 OR5889 [0,0,0,1,0,0|2,0,1]=4 143 B7R1.3 C[C@@H]1CNCCO1 OR70093 [0,0,0,1,0,0|1,0,1]=3 144 B7R1.3 C[C@@H]1COCCN1 OR17129 [0,0,0,1,0,0|2,0,1]=4 145 B7R1.3 C[C@@H]1COCCN1 OR308175 [0,0,0,1,0,0|2,0,1]=4 146 B7R1.3 C[C@H]1CNCCN1 OR5877 [0,0,0,1,0,0|2,0,1]=4 147 B7R1.3 C[C@H]1CNCCO1 OR308176 [0,0,0,1,0,0|1,0,1]=3 148 B7R1.3 C[C@H]1CNCCO1 OR45132 [0,0,0,1,0,0|1,0,1]=3 149 B7R1.3 C[C@H]1COCCN1 OR308174 [0,0,0,1,0,0|2,0,1]=4 150 B7R1.3 IC1CCOCC1 OR9693 [0,0,0,1,0,0|2,0,1]=4 151 B7R1.3 NC1CCCNC1 OR6131 [0,0,0,1,0,0|2,0,1]=4 152 B7R1.3 NC1CCCOC1 OR52254 [0,0,0,1,0,0|2,0,1]=4 153 B7R1.3 NC1CCCOC1 OR70184 [0,0,0,1,0,0|2,0,1]=4 154 B7R1.3 NC1CCNCC1 OR4858 [0,0,0,1,0,0|2,0,1]=4 155 B7R1.3 NC1CCOCC1 OR10342 [0,0,0,1,0,0|2,0,1]=4 156 B7R1.3 NC1CCOCC1 OR10342S [0,0,0,1,0,0|2,0,1]=4 157 B7R1.3 NC1CCOCC1 OR10343 [0,0,0,1,0,0|2,0,1]=4 158 B7R1.3 NC1CCSCC1 OR8412 [0,0,0,1,0,0|2,0,1]=4 159 B7R1.3 N[C@@H]1CCCNC1 OR4587 [0,0,0,1,0,0|2,0,1]=4 160 B7R1.3 N[C@H]1CCCNC1 OR4585 [0,0,0,1,0,0|2,0,1]=4 161 B7R1.3 O=C1C=CCCC1 OR18379 [0,0,0,1,0,0|2,0,1]=4 162 B7R1.3 O=C1C=CCCO1 OR70226 [0,0,0,1,0,0|1,0,1]=3 163 B7R1.3 OC1CCCNC1 OR350185 [0,0,0,1,0,0|1,0,1]=3 164 B7R1.3 OC1CCCOC1 OR46583 [0,0,0,1,0,0|1,0,1]=3 165 B7R1.3 OC1CCNCC1 OR9943 [0,0,0,1,0,0|1,0,1]=3 166 B7R1.3 OC1CCOCC1 OR14305 [0,0,0,1,0,0|1,0,1]=3 167 B7R1.3 O[C@@H]1CCCNC1 OR4578 [0,0,0,1,0,0|1,0,1]=3 168 B7R1.3 O[C@H]1CCCNC1 OR4577 [0,0,0,1,0,0|1,0,1]=3 169 B7R1.3 SC1CCCCC1 OR5294 [0,0,0,1,0,0|0,1,2]=4 170 B7R1.4 N[C@@H]1CCC[C@@H]1O OR307606 [0,0,0,1,0,0|1,0,2]=4 171 B7R1.4 N[C@@H]1CCC[C@@H]1O OR307607 [0,0,0,1,0,0|1,0,2]=4 172 B7R1.4 N[C@@H]1CCC[C@@H]1O OR307678 [0,0,0,1,0,0|1,0,2]=4 173 B7R1.4 N[C@@H]1COC[C@@H]1O OR307686 [0,0,0,1,0,0|2,0,1]=4 174 B7R1.4 O[C@@H]1CNC[C@H]1O OR55391 [0,0,0,1,0,0|2,0,1]=4 175 B7R1.4 O[C@@H]1CNC[C@H]1O OR55392 [0,0,0,1,0,0|2,0,1]=4 176 B7R1.4 O[C@H]1COC[C@@H]1O OR8886 [0,0,0,1,0,0|2,0,1]=4 177 B7R1.6 ClCCN1CCC1 OR0988 [0,0,0,1,0,0|2,0,1]=4 178 B7R1.6 NCCN1CCC1 OR54542 [0,0,0,1,0,0|2,0,1]=4 179 B7R1.6 OCCC1COC1 OR309064 [0,0,0,1,0,0|1,0,2]=4 180 B7R1.7 CCCCC1CO1 OR17696 [0,0,0,1,0,0|0,0,2]=3 181 B7R1.24 C1CNCCNC1 OR0503 [0,0,0,1,0,0|2,0,1]=4 182 B4R0.2 BrCCCBr OR0972 [2,0,0,0,0,0|2,0,0]=4 183 B4R0.2 C#CCCC OR5512 [2,0,0,0,0,0|1,0,1]=4 184 B4R0.2 C#CCCO OR1952 [2,0,0,0,0,0|0,0,2]=4 185 B4R0.2 C=CCCBr OR8033 [2,0,0,0,0,0|1,0,0]=3 186 B4R0.2 C=CCCC OR5326 [2,0,0,0,0,0|1,0,0]=3 187 B4R0.2 C=CCNC OR3619 [2,0,0,0,0,0|2,0,0]=4 188 B4R0.2 C=CC[Mg]Br OR320140 [2,0,0,0,0,0|2,0,0]=4 189 B4R0.2 C=CC[Mg]Br OR320141 [2,0,0,0,0,0|2,0,0]=4 190 B4R0.2 C=CC[Mg]Cl OR320143 [2,0,0,0,0,0|2,0,0]=4 191 B4R0.2 C=CC[Mg]Cl OR320144 [2,0,0,0,0,0|2,0,0]=4 192 B4R0.2 CC#CCO OR14505 [2,0,0,0,0,0|0,0,2]=4 193 B4R0.2 CC=CCCl OR5497 [2,0,0,0,0,0|1,0,0]=3 194 B4R0.2 CC=CCO OR18372 [2,0,0,0,0,0|0,0,0]=2 195 B4R0.2 CCCC#N OR9437 [2,0,0,0,0,0|1,0,1]=4 196 B4R0.2 CCCCBr OR460056 [2,0,0,0,0,0|1,0,0]=3 197 B4R0.2 CCCCI OR3174 [2,0,0,0,0,0|1,0,0]=3 198 B4R0.2 CCOC=O OR28814 [2,0,0,0,0,0|1,0,1]=4 199 B4R0.2 CNCCN OR6516 [2,0,0,0,0,0|2,0,0]=4 200 B4R0.2 COCCBr OR11137 [2,0,0,0,0,0|2,0,0]=4 201 B4R0.2 COCCN OR59868 [2,0,0,0,0,0|2,0,0]=4 202 B4R0.2 CSCCN OR4873 [2,0,0,0,0,0|2,0,0]=4 203 B4R0.2 C\C=C\CCl OR51978 [2,0,0,0,0,0|1,0,0]=3 204 B4R0.2 ClCCCCl OR0973 [2,0,0,0,0,0|2,0,0]=4 205 B4R0.2 ClCCCI OR2939 [2,0,0,0,0,0|2,0,0]=4 206 B4R0.2 ICCCI OR4510 [2,0,0,0,0,0|2,0,0]=4 207 B4R0.2 N#CCCO OR3049 [2,0,0,0,0,0|1,0,1]=4 208 B4R0.2 NCCCBr OR322151 [2,0,0,0,0,0|2,0,0]=4 209 B4R0.2 NNCCO OR9124 [2,0,0,0,0,0|2,0,0]=4 210 B4R0.2 OCCCBr OR0978 [2,0,0,0,0,0|1,0,0]=3 211 B4R0.2 OCCCCl OR0977 [2,0,0,0,0,0|1,0,0]=3 212 B6R0.1 CCC(=O)CC#N OR61297 [1,1,0,0,0,0|1,0,1]=4 213 B6R0.1 CCCC(=N)NO OR12351 [1,1,0,0,0,0|1,0,1]=4 214 B6R0.1 CCNC(=O)CBr OR40485 [1,1,0,0,0,0|2,0,0]=4 215 B6R0.1 CCOC(=O)CN OR43634 [1,1,0,0,0,0|2,0,0]=4 216 B6R0.1 CCOC(=O)CS OR17516 [1,1,0,0,0,0|1,1,0]=4 217 B6R0.1 CCOC(=O)NO OR9111 [1,1,0,0,0,0|2,0,0]=4 218 B6R0.1 CNC(=O)CCN OR16480 [1,1,0,0,0,0|2,0,0]=4 219 B6R0.1 CNC(=O)CCN OR51734 [1,1,0,0,0,0|2,0,0]=4 220 B6R0.1 CNCC(O)CO OR13648 [1,1,0,0,0,0|1,0,1]=4 221 B6R0.1 COC(=O)CCS OR28780 [1,1,0,0,0,0|1,1,0]=4 222 B6R0.1 COCC(O)CO OR30517 [1,1,0,0,0,0|1,0,1]=4 223 B6R0.1 OCC[C@@H](O)CO OR4602 [1,1,0,0,0,0|1,0,1]=4 224 B6R0.1 OCC[C@H](O)CO OR5242 [1,1,0,0,0,0|1,0,1]=4 225 B6R0.4 C=CCC[C@@H](C)O OR304052 [1,1,0,0,0,0|0,0,2]=4 226 B6R0.4 CC(=O)CCCCl OR10086 [1,1,0,0,0,0|1,0,1]=4 227 B6R0.4 CC(=O)NCCCl OR55006 [1,1,0,0,0,0|2,0,0]=4 228 B6R0.4 CC(C)=CCCBr OR3008 [1,1,0,0,0,0|1,0,0]=3 229 B6R0.4 CCC=CC(=O)O OR6566 [1,1,0,0,0,0|0,0,1]=3 230 B6R0.4 CCCCB(O)O OR10619 [1,1,0,0,0,0|1,0,1]=4 231 B6R0.4 CCCCC(C)=O OR10020 [1,1,0,0,0,0|1,0,1]=4 232 B6R0.4 CCCC[C@H](C)O OR304042 [1,1,0,0,0,0|0,0,1]=3 233 B6R0.4 CCCOC(C)=O OR5312 [1,1,0,0,0,0|2,0,0]=4 234 B6R0.4 CCOCC(=O)O OR6531 [1,1,0,0,0,0|1,0,1]=4 235 B6R0.4 CO\C=C\C(C)=O OR52529 [1,1,0,0,0,0|1,0,1]=4 236 B6R0.4 NC(=O)NCCO OR17003 [1,1,0,0,0,0|2,0,0]=4 237 B6R0.4 O=C(O)\C=C\CBr OR313099 [1,1,0,0,0,0|1,0,1]=4 238 B8R0.1 CCOC(=O)CCCBr OR14983 [0,2,0,0,0,0|1,0,1]=4 239 B8R0.1 CC\C=C\C(=O)OCC OR16435 [0,2,0,0,0,0|1,0,1]=4 240 B8R0.4 CCCCCCCCO OR40039 [0,2,0,0,0,0|0,0,2]=4 241 B8R0.4 CCCCCCOCC OR51881 [0,2,0,0,0,0|0,0,2]=4 242 B8R0.4 COCCNCCOC OR55503 [0,2,0,0,0,0|1,0,1]=4 243 B8R0.4 OCCCCCCCO OR53104 [0,2,0,0,0,0|0,0,2]=4 244 B8R0.6 CCCCCC(=O)CC OR6025 [0,2,0,0,0,0|1,0,1]=4 245 B8R0.6 CCCOCC(O)CO OR60027 [0,2,0,0,0,0|0,0,2]=4 246 B8R0.6 COCCCC(=O)OC OR30755 [0,2,0,0,0,0|1,0,1]=4 247 B8R0.7 CCCCCC[C@H](C)O OR304045 [0,2,0,0,0,0|0,0,2]=4 248 B8R0.3 CCOC(=O)C(Br)CC OR15008 [0,2,0,0,0,0|2,0,0]=4 249 B8R0.3 CCOC(=O)C(N)CO OR26790 [0,2,0,0,0,0|1,0,0]=3 250 B8R0.3 CCOC(=O)C(O)CC OR937766 [0,2,0,0,0,0|2,0,0]=4 251 B8R0.3 CCOC(=O)[C@@H](N)CS OR26791 [0,2,0,0,0,0|1,1,0]=4 252 B8R0.8 C=C(C)C(=O)NCCO OR17009 [0,2,0,0,0,0|1,0,1]=4 253 B8R0.5 CCOC(=O)CC(=O)O OR54513 [0,2,0,0,0,0|1,0,1]=4 254 B8R0.5 CCOC(=O)C[C@H](C)O OR304080 [0,2,0,0,0,0|1,0,0]=3 255 B8R0.30 CCCC(C)(S)CCO OR70181 [0,2,0,0,0,0|0,0,2]=4 256 B6R1.1 C1=CCCC=C1 OR42119 [1,0,0,1,0,0|0,0,2]=4 257 B6R1.1 C1=CCNCC1 OR9035 [1,0,0,1,0,0|1,0,0]=3 258 B6R1.1 C1=COCCC1 OR183406 [1,0,0,1,0,0|1,0,0]=3 259 B6R1.1 C1CCNCC1 OR13634 [1,0,0,1,0,0|1,0,1]=4 260 B6R1.1 C1CNCCN1 OR13160 [1,0,0,1,0,0|2,0,0]=4 261 B6R1.1 C1COCCN1 OR13977 [1,0,0,1,0,0|1,0,0]=3 262 B6R1.1 C1COCCO1 OR61424 [1,0,0,1,0,0|1,0,0]=3 263 B6R1.1 C1CSCCN1 OR6523 [1,0,0,1,0,0|1,1,0]=4 264 B6R1.2 BrC1=CCCC1 OR59361 [1,0,0,1,0,0|2,0,0]=4 265 B6R1.2 BrC1CCCC1 OR10098 [1,0,0,1,0,0|1,0,1]=4 266 B6R1.2 CC1=CC=NO1 OR15750 [1,0,0,1,0,0|1,0,1]=4 267 B6R1.2 CC1=NCCO1 OR52090 [1,0,0,1,0,0|1,0,0]=3 268 B6R1.2 CC1CCCN1 OR30527 [1,0,0,1,0,0|1,0,1]=4 269 B6R1.2 CC1CCCO1 OR42160 [1,0,0,1,0,0|0,0,1]=3 270 B6R1.2 CC1CCNC1 OR313066 [1,0,0,1,0,0|1,0,1]=4 271 B6R1.2 C[C@@H]1CCCN1 OR15684 [1,0,0,1,0,0|1,0,1]=4 272 B6R1.2 C[C@@H]1CCCN1 OR18417 [1,0,0,1,0,0|1,0,1]=4 273 B6R1.2 C[C@@H]1CCCN1 OR4617 [1,0,0,1,0,0|1,0,1]=4 274 B6R1.2 C[C@H]1CCCN1 OR460046 [1,0,0,1,0,0|1,0,1]=4 275 B6R1.2 C[C@H]1CCCN1 OR4618 [1,0,0,1,0,0|1,0,1]=4 276 B6R1.2 C[C@H]1CCNC1 OR313067 [1,0,0,1,0,0|1,0,1]=4 277 B6R1.2 ClC1CCCC1 OR10099 [1,0,0,1,0,0|1,0,1]=4 278 B6R1.2 IC1CCOC1 OR52585 [1,0,0,1,0,0|2,0,0]=4 279 B6R1.2 I[C@@H]1CCOC1 OR52586 [1,0,0,1,0,0|2,0,0]=4 280 B6R1.2 NC1CC=CC1 OR301049 [1,0,0,1,0,0|1,0,0]=3 281 B6R1.2 NC1CCCC1 OR10097 [1,0,0,1,0,0|1,0,1]=4 282 B6R1.2 NC1CCNC1 OR52187 [1,0,0,1,0,0|2,0,0]=4 283 B6R1.2 NC1CCOC1 OR301034 [1,0,0,1,0,0|2,0,0]=4 284 B6R1.2 NC1CCOC1 OR40690 [1,0,0,1,0,0|2,0,0]=4 285 B6R1.2 N[C@@H]1CCOC1 OR322597 [1,0,0,1,0,0|2,0,0]=4 286 B6R1.2 N[C@@H]1CCOC1 OR4604 [1,0,0,1,0,0|2,0,0]=4 287 B6R1.2 N[C@H]1CCOC1 OR322596 [1,0,0,1,0,0|2,0,0]=4 288 B6R1.2 O=C1C=CCC1 OR9084 [1,0,0,1,0,0|0,0,2]=4 289 B6R1.2 O=C1C=CCO1 OR2878 [1,0,0,1,0,0|1,0,1]=4 290 B6R1.2 O=C1CC=CC1 OR313063 [1,0,0,1,0,0|0,0,2]=4 291 B6R1.2 OC1CCCC1 OR10094 [1,0,0,1,0,0|0,0,1]=3 292 B6R1.2 OC1CCNC1 OR9068 [1,0,0,1,0,0|1,0,0]=3 293 B6R1.2 O[C@@H]1CCNC1 OR15681 [1,0,0,1,0,0|1,0,0]=3 294 B6R1.2 O[C@@H]1CCNC1 OR4628 [1,0,0,1,0,0|1,0,0]=3 295 B6R1.2 O[C@@H]1CCOC1 OR4601 [1,0,0,1,0,0|1,0,0]=3 296 B6R1.2 O[C@H]1CCNC1 OR15682 [1,0,0,1,0,0|1,0,0]=3 297 B6R1.2 O[C@H]1CCNC1 OR4627 [1,0,0,1,0,0|1,0,0]=3 298 B6R1.2 O[C@H]1CCOC1 OR4603 [1,0,0,1,0,0|1,0,0]=3 299 B6R1.2 S=C1NCCO1 OR28382 [1,0,0,1,0,0|2,0,0]=4 300 B6R1.3 BrCCC1CC1 OR41170 [1,0,0,1,0,0|1,0,1]=4 301 B6R1.3 CCNC1CC1 OR470784 [1,0,0,1,0,0|1,0,1]=4 302 B6R1.3 NCCC1CC1 OR19507 [1,0,0,1,0,0|1,0,1]=4 303 B6R1.6 BrCC1CCC1 OR451132 [1,0,0,1,0,0|1,0,1]=4 304 B6R1.6 BrCC1CCO1 OR309080 [1,0,0,1,0,0|1,0,1]=4 305 B6R1.6 NCC1CCC1 OR308087 [1,0,0,1,0,0|1,0,1]=4 306 B6R1.6 NCC1CCC1 OR312056 [1,0,0,1,0,0|1,0,1]=4 307 B6R1.6 NCC1CCO1 OR61268 [1,0,0,1,0,0|1,0,1]=4 308 B6R1.6 OCC1CCC1 OR61204 [1,0,0,1,0,0|0,0,1]=3 309 B6R1.6 OCC1CCN1 OR309020 [1,0,0,1,0,0|1,0,0]=3 310 B6R1.6 OCC1CNC1 OR308022 [1,0,0,1,0,0|1,0,1]=4 311 B6R1.6 OCC1COC1 OR308006 [1,0,0,1,0,0|1,0,1]=4 312 B6R1.6 OC[C@H]1CCN1 OR317202 [1,0,0,1,0,0|1,0,0]=3 313 B8R1.2 CCC1COCCN1 OR308179 [0,1,0,1,0,0|1,0,1]=4 314 B8R1.2 CC[C@H]1COCCN1 OR61132 [0,1,0,1,0,0|1,0,1]=4 315 B8R1.2 COC1=CCC=CC1 OR17014 [0,1,0,1,0,0|0,0,2]=4 316 B8R1.2 COC1CCCNC1 OR302384 [0,1,0,1,0,0|1,0,1]=4 317 B8R1.2 COC1CCNCC1 OR47829 [0,1,0,1,0,0|1,0,1]=4 318 B8R1.2 COC1CCNCC1 OR59470 [0,1,0,1,0,0|1,0,1]=4 319 B8R1.2 ClCC1CCCCO1 OR2054 [0,1,0,1,0,0|0,0,2]=4 320 B8R1.2 NCC1CCCCO1 OR110077 [0,1,0,1,0,0|0,0,2]=4 321 B8R1.2 NCC1CCCCO1 OR60205 [0,1,0,1,0,0|0,0,2]=4 322 B8R1.2 NCC1CNCCO1 OR103657 [0,1,0,1,0,0|1,0,1]=4 323 B8R1.2 OCC1CCC=CO1 OR6613 [0,1,0,1,0,0|0,0,0]=2 324 B8R1.2 OCC1CCCCN1 OR16434 [0,1,0,1,0,0|0,0,2]=4 325 B8R1.2 OCC1CCCCO1 OR5628 [0,1,0,1,0,0|0,0,2]=4 326 B8R1.2 OCC1CCCOC1 OR70047 [0,1,0,1,0,0|0,0,2]=4 327 B8R1.2 OCC1CCNCC1 OR3906 [0,1,0,1,0,0|0,0,2]=4 328 B8R1.2 OCC1CCOCC1 OR10585 [0,1,0,1,0,0|0,0,2]=4 329 B8R1.2 OCC1CCSCC1 OR30548 [0,1,0,1,0,0|0,0,2]=4 330 B8R1.2 OCC1COCCN1 OR926444 [0,1,0,1,0,0|1,0,1]=4 331 B8R1.2 OC[C@@H]1COCCN1 OR308127 [0,1,0,1,0,0|1,0,1]=4 332 B8R1.2 OC[C@H]1COCCN1 OR308126 [0,1,0,1,0,0|1,0,1]=4 333 B8R1.5 CC1CCCCC1O OR10028 [0,1,0,1,0,0|0,0,2]=4 334 B8R1.5 CC1CCCNC1=O OR22899 [0,1,0,1,0,0|2,0,0]=4 335 B8R1.5 NC1CCCCC1O OR21260 [0,1,0,1,0,0|0,0,2]=4 336 B8R1.5 N[C@@H]1CCCC[C@@H]1O OR307602 [0,1,0,1,0,0|0,0,2]=4 337 B8R1.5 N[C@@H]1CCCC[C@H]1O OR307600 [0,1,0,1,0,0|0,0,2]=4 338 B8R1.5 N[C@@H]1CCCC[C@H]1O OR307601 [0,1,0,1,0,0|0,0,2]=4 339 B8R1.5 N[C@H]1CCCC[C@@H]1O OR70141 [0,1,0,1,0,0|0,0,2]=4 340 B8R1.5 N[C@H]1CCCC[C@H]1O OR350531 [0,1,0,1,0,0|0,0,2]=4 341 B8R1.5 O[C@@H]1CCCC[C@H]1O OR8451T [0,1,0,1,0,0|0,0,2]=4 342 B8R1.5 O[C@H]1CCCC[C@H]1O OR51977 [0,1,0,1,0,0|0,0,2]=4 343 B8R1.8 BrCCC1OCCO1 OR52533 [0,1,0,1,0,0|1,0,1]=4 344 B8R1.8 CCCC1=CC=CO1 OR3221 [0,1,0,1,0,0|0,0,2]=4 345 B8R1.8 CNCC1=CN=CO1 OR59855 [0,1,0,1,0,0|1,0,1]=4 346 B8R1.8 COC[C@@H]1CCCN1 OR4615 [0,1,0,1,0,0|1,0,1]=4 347 B8R1.8 COC[C@H]1CCCN1 OR4616 [0,1,0,1,0,0|1,0,1]=4 348 B8R1.8 OCCC1=CC=CS1 OR6571 [0,1,0,1,0,0|0,0,2]=4 349 B8R1.8 OCCC1=CNN=C1 OR46067 [0,1,0,1,0,0|1,0,1]=4 350 B8R1.8 OCCC1=CSC=C1 OR13899 [0,1,0,1,0,0|0,0,2]=4 351 B8R1.8 OCCC1CCNC1 OR315571 [0,1,0,1,0,0|0,0,2]=4 352 B8R1.8 OCCN1C=CC=C1 OR200029 [0,1,0,1,0,0|0,0,2]=4 353 B8R1.8 OCCN1C=CC=N1 OR11946 [0,1,0,1,0,0|1,0,1]=4 354 B8R1.11 CC1=C(CO)C=CO1 OR23944 [0,1,0,1,0,0|0,0,2]=4 355 B8R1.11 CC1=C(CO)OC=C1 OR15383 [0,1,0,1,0,0|0,0,2]=4 356 B8R1.11 CN1C=CN=C1CO OR6426 [0,1,0,1,0,0|1,0,1]=4 357 B8R1.11 CN1C=NC=C1CO OR10499 [0,1,0,1,0,0|1,0,1]=4 358 B8R1.11 CN1CCC[C@H]1CO OR14515 [0,1,0,1,0,0|0,0,2]=4 359 B8R1.11 CN1N=CC=C1CO OR12407 [0,1,0,1,0,0|1,0,1]=4 360 B8R1.22 BrC1=CCCCCC1 OR59406 [0,1,0,1,0,0|1,0,0]=3 361 B8R1.22 O=C1CCCCCC1 OR6556 [0,1,0,1,0,0|1,0,1]=4 362 B8R1.22 O=C1CCCCCN1 OR42190 [0,1,0,1,0,0|2,0,0]=4 363 B8R1.22 O=C1CCCNCC1 OR4647 [0,1,0,1,0,0|1,0,1]=4 364 B8R1.22 O=C1CCNCCN1 OR2299 [0,1,0,1,0,0|2,0,0]=4 365 B8R1.22 O=C1CCNCCN1 OR9118 [0,1,0,1,0,0|2,0,0]=4 366 B8R1.22 OC1CCCCCC1 OR10091 [0,1,0,1,0,0|0,0,2]=4 367 B8R1.49 C1=CCCC=CCC1 OR46568 [0,1,0,1,0,0|1,0,0]=3 368 B8R1.49 C1=CCCC=CCC1 OR55009 [0,1,0,1,0,0|1,0,0]=3 369 B8R1.1 CC1=CC=C(CO)O1 OR3029 [0,1,0,1,0,0|0,0,2]=4 370 B8R1.1 CCC1OCC(C)O1 OR60175 [0,1,0,1,0,0|1,0,1]=4 371 B8R1.1 CN1C=CC(CO)=N1 OR2057 [0,1,0,1,0,0|1,0,1]=4 372 B8R1.1 NCC1CCC(=O)N1 OR953484 [0,1,0,1,0,0|2,0,0]=4 373 B8R1.1 O=C1CC(CO)CN1 OR300508 [0,1,0,1,0,0|1,0,1]=4 374 B8R1.1 O=C1CC[C@@H](CO)N1 OR350343 [0,1,0,1,0,0|1,0,0]=3 375 B8R1.1 O=C1CC[C@@H](CO)O1 OR42217 [0,1,0,1,0,0|1,0,0]=3 376 B8R1.1 O=C1CC[C@H](CO)N1 OR451180 [0,1,0,1,0,0|1,0,0]=3 377 B8R1.3 CC1CCC(=O)CC1 OR5041 [0,1,0,1,0,0|1,0,1]=4 378 B8R1.3 CN1CCC(O)CC1 OR6932 [0,1,0,1,0,0|1,0,1]=4 379 B8R1.3 NC1CCC(=O)CC1 OR301000 [0,1,0,1,0,0|1,0,1]=4 380 B8R1.3 NC1CCC(=O)CC1 OR51872 [0,1,0,1,0,0|1,0,1]=4 381 B8R1.3 N[C@H]1CC[C@@H](O)CC1 OR51931 [0,1,0,1,0,0|0,0,2]=4 382 B8R1.3 N[C@H]1CC[C@H](O)CC1 OR10070 [0,1,0,1,0,0|0,0,2]=4 383 B8R1.3 N[C@H]1CC[C@H](O)CC1 OR5631 [0,1,0,1,0,0|0,0,2]=4 384 B8R1.3 O=C1CCC(O)CC1 OR60149 [0,1,0,1,0,0|0,0,1]=3 385 B8R1.3 O=C1CCC(O)CN1 OR313048 [0,1,0,1,0,0|1,0,0]=3 386 B8R1.3 OC1CCC(O)CC1 OR22315 [0,1,0,1,0,0|0,0,2]=4 387 B8R1.38 NC(CO)C1CCC1 OR451135 [0,1,0,1,0,0|0,0,2]=4 388 B8R1.50 O=C1OC[C@@H](O)[C@H]1O OR55152 [0,1,0,1,0,0|2,0,0]=4 389 B8R1.4 CC1CC(=O)CCO1 OR54543 [0,1,0,1,0,0|0,0,1]=3 390 B8R1.4 CN1CCCC(O)C1 OR6933 [0,1,0,1,0,0|1,0,1]=4 391 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 OR51787 [0,1,0,1,0,0|1,0,1]=4 392 B8R1.4 C[C@H]1CNC[C@@H](C)O1 OR16456 [0,1,0,1,0,0|1,0,1]=4 393 B8R1.4 C[C@H]1CNC[C@H](C)O1 OR51786 [0,1,0,1,0,0|1,0,1]=4 394 B8R1.4 NC1CCCC(O)C1 OR301031 [0,1,0,1,0,0|0,0,2]=4 395 B8R1.4 OC1CCCC(O)C1 OR17557 [0,1,0,1,0,0|0,0,2]=4 396 B8R1.7 CC(N)C1=CC=CO1 OR01656 [0,1,0,1,0,0|0,0,2]=4 397 B8R1.7 O=C(O)C1C=CCN1 OR6272 [0,1,0,1,0,0|1,0,1]=4 398 B8R1.72 CC1(O)CCCNC1 OR308125 [0,1,0,1,0,0|1,0,1]=4 399 B8R1.72 CC1(O)CCNCC1 OR308124 [0,1,0,1,0,0|1,0,1]=4 400 B8R1.37 CCOC(=O)C1CC1 OR5300 [0,1,0,1,0,0|2,0,0]=4 401 B8R2.34 C1OC2CNC1C2 OR015021 [0,0,0,2,0,0|1,0,1]=4 402 B8R2.55 C1CC2(CO1)CO2 OR52353 [0,0,0,2,0,0|1,0,1]=4 403 B8R2.25 C1CCC2OC2C1 OR40521 [0,0,0,2,0,0|0,0,2]=4