0 B5R0.1 C=CNC(C)=O OR938950 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.1 C=COC(=O)Cl OR3129 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.1 CC#CC(=O)O OR315221 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.1 CC(=O)NCO OR61255 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.1 CC(C)=CCBr OR46013 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.1 CC(C)=CCCl OR22167 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.1 CC(C)=C[Mg]Br OR320001 [0,0,0,0,0,0|4,0,0]=4 7 B5R0.1 CC(C)=C[Mg]Cl OR320002 [0,0,0,0,0,0|4,0,0]=4 8 B5R0.1 CC(C)CCI OR8220 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 CC(C)CCN OR12816 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 CC(C)CCO OR460021 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 CCCB(O)O OR8415 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 CCCC(=O)O OR6005 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.1 CCCC(=O)[O-] OR8783 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.1 CCCC(C)N OR10075 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.1 CCNC(N)=O OR42229 [0,0,0,0,0,0|2,0,0]=2 16 B5R0.1 CCOC(=S)[S-] OR59885 [0,0,0,0,0,0|1,1,0]=2 17 B5R0.1 CN(C)CCN OR6514 [0,0,0,0,0,0|4,0,0]=4 18 B5R0.1 COCC(=O)Cl OR40393 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.1 CSCC(=O)O OR4573 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.1 C[C@@H](O)CCO OR2223 [0,0,0,0,0,0|2,0,2]=4 21 B5R0.1 ClCC=C(Cl)Cl OR40579 [0,0,0,0,0,0|4,0,0]=4 22 B5R0.1 NC(=O)CCBr OR322315 [0,0,0,0,0,0|3,0,0]=3 23 B5R0.1 NC(=O)CCCl OR26786 [0,0,0,0,0,0|3,0,0]=3 24 B5R0.1 NCCC(=O)O OR5225 [0,0,0,0,0,0|3,0,0]=3 25 B5R0.1 O=C(Cl)CCCl OR11057 [0,0,0,0,0,0|3,0,0]=3 26 B5R0.1 O=C(O)CCBr OR8993 [0,0,0,0,0,0|3,0,0]=3 27 B5R0.1 O=C(O)CCO OR59874 [0,0,0,0,0,0|3,0,0]=3 28 B5R0.1 O=C(O)CCO OR70031 [0,0,0,0,0,0|3,0,0]=3 29 B5R0.1 O=C(O)\C=C\Cl OR2048 [0,0,0,0,0,0|3,0,1]=4 30 B4R0.1 C#CC(=C)C OR13594 [1,0,0,0,0,0|1,0,2]=4 31 B4R0.1 C#CC(=O)O OR30972 [1,0,0,0,0,0|1,0,2]=4 32 B4R0.1 C#CC(C)=O OR7548 [1,0,0,0,0,0|0,0,2]=3 33 B4R0.1 C=C(C)CBr OR17610 [1,0,0,0,0,0|2,0,0]=3 34 B4R0.1 C=C(C)CC OR14507 [1,0,0,0,0,0|1,0,0]=2 35 B4R0.1 C=C(C)CCl OR16423 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.1 C=C(C)CN OR10897 [1,0,0,0,0,0|2,0,0]=3 37 B4R0.1 C=C(C)CN OR59958 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.1 C=C(C)CO OR16426 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.1 C=C(C)OC OR17619 [1,0,0,0,0,0|1,0,0]=2 40 B4R0.1 C=C(Cl)CCl OR5736 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.1 C=C(Cl)CO OR9536 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.1 CC(=O)C=O OR53061 [1,0,0,0,0,0|1,0,1]=3 43 B4R0.1 CC(=O)C=O OR5752 [1,0,0,0,0,0|1,0,1]=3 44 B4R0.1 CC(=O)CO OR17702 [1,0,0,0,0,0|1,0,0]=2 45 B4R0.1 CC(=O)NO OR6375T [1,0,0,0,0,0|2,0,0]=3 46 B4R0.1 CC(C)=CCl OR16424 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.1 CC(C)CI OR2195 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.1 CC(C)ON OR933332 [1,0,0,0,0,0|2,0,1]=4 49 B4R0.1 CCB(O)O OR8874 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.1 CCC(=N)N OR200136 [1,0,0,0,0,0|2,0,0]=3 51 B4R0.1 CCC(=O)[O-] OR70110 [1,0,0,0,0,0|1,0,0]=2 52 B4R0.1 CCC(C)Br OR4335 [1,0,0,0,0,0|1,0,1]=3 53 B4R0.1 CCC(C)Cl OR460003 [1,0,0,0,0,0|1,0,1]=3 54 B4R0.1 CCC(C)I OR5340 [1,0,0,0,0,0|1,0,1]=3 55 B4R0.1 CC[C@@H](C)N OR59999 [1,0,0,0,0,0|1,0,1]=3 56 B4R0.1 CC[C@@H](C)O OR304038 [1,0,0,0,0,0|0,0,2]=3 57 B4R0.1 CC[C@H](C)N OR60000 [1,0,0,0,0,0|1,0,1]=3 58 B4R0.1 CC[C@H](C)O OR4619 [1,0,0,0,0,0|0,0,2]=3 59 B4R0.1 COC(N)=O OR46510 [1,0,0,0,0,0|1,0,0]=2 60 B4R0.1 CSC(=N)N OR25052 [1,0,0,0,0,0|2,1,0]=4 61 B4R0.1 C[C@@H](N)CO OR0903 [1,0,0,0,0,0|2,0,1]=4 62 B4R0.1 C[C@@H](O)CN OR304058 [1,0,0,0,0,0|1,0,2]=4 63 B4R0.1 C[C@H](N)CO OR5875 [1,0,0,0,0,0|2,0,1]=4 64 B4R0.1 C[C@H](O)CN OR30797 [1,0,0,0,0,0|1,0,2]=4 65 B4R0.1 C\C(Cl)=C/Cl OR460035 [1,0,0,0,0,0|2,0,1]=4 66 B4R0.1 C\C(N)=N\O OR30585 [1,0,0,0,0,0|3,0,0]=4 67 B4R0.1 N=C(N)CCl OR3921 [1,0,0,0,0,0|3,0,0]=4 68 B4R0.1 NC(=O)CBr OR6592 [1,0,0,0,0,0|2,0,0]=3 69 B4R0.1 NC(=O)CCl OR12801 [1,0,0,0,0,0|2,0,0]=3 70 B4R0.1 NC(=O)CI OR59962 [1,0,0,0,0,0|2,0,0]=3 71 B4R0.1 NC(=O)CO OR21888 [1,0,0,0,0,0|2,0,0]=3 72 B4R0.1 NC(=O)CS OR24255 [1,0,0,0,0,0|2,0,0]=3 73 B4R0.1 NC(=O)NO OR9108 [1,0,0,0,0,0|3,0,0]=4 74 B4R0.1 O=C(Cl)CBr OR54475 [1,0,0,0,0,0|2,0,0]=3 75 B4R0.1 O=C(O)CBr OR6366 [1,0,0,0,0,0|2,0,0]=3 76 B4R0.1 O=C(O)CI OR322006 [1,0,0,0,0,0|2,0,0]=3 77 B4R0.1 O=C(O)CO OR13191 [1,0,0,0,0,0|2,0,0]=3 78 B4R0.1 O=C([O-])CS OR30627 [1,0,0,0,0,0|2,0,0]=3 79 B4R0.1 O=CC(=O)O OR52099 [1,0,0,0,0,0|2,0,1]=4 80 B4R0.1 O=S([O-])CO OR922468 [1,0,0,0,0,0|3,0,0]=4 81 B4R0.1 O=[N+]([O-])CBr OR3067 [1,0,0,0,0,0|3,0,0]=4 82 B4R0.2 C#CCCC OR5512 [1,0,0,0,0,0|1,0,2]=4 83 B4R0.2 C#COCC OR4769 [1,0,0,0,0,0|0,0,2]=3 84 B4R0.2 C=CCCBr OR8033 [1,0,0,0,0,0|2,0,1]=4 85 B4R0.2 C=CCCC OR5326 [1,0,0,0,0,0|1,0,1]=3 86 B4R0.2 C=CCNC OR3619 [1,0,0,0,0,0|2,0,1]=4 87 B4R0.2 CC#CCBr OR5530 [1,0,0,0,0,0|2,0,1]=4 88 B4R0.2 CC#CCO OR14505 [1,0,0,0,0,0|2,0,1]=4 89 B4R0.2 CC=CCCl OR5497 [1,0,0,0,0,0|2,0,0]=3 90 B4R0.2 CC=CCO OR18372 [1,0,0,0,0,0|2,0,0]=3 91 B4R0.2 CCCC#N OR9437 [1,0,0,0,0,0|2,0,1]=4 92 B4R0.2 CCCCBr OR460056 [1,0,0,0,0,0|2,0,1]=4 93 B4R0.2 CCCCI OR3174 [1,0,0,0,0,0|2,0,1]=4 94 B4R0.2 CCOC=O OR28814 [1,0,0,0,0,0|0,0,0]=1 95 B4R0.2 CNCCN OR6516 [1,0,0,0,0,0|3,0,0]=4 96 B4R0.2 COCCBr OR11137 [1,0,0,0,0,0|3,0,0]=4 97 B4R0.2 COCCN OR59868 [1,0,0,0,0,0|3,0,0]=4 98 B4R0.2 CSCCN OR4873 [1,0,0,0,0,0|3,0,0]=4 99 B4R0.2 C\C=C\CCl OR51978 [1,0,0,0,0,0|2,0,0]=3 100 B6R0.1 C#CC(=O)OCC OR28819 [0,1,0,0,0,0|0,0,1]=2 101 B6R0.1 CCC(=O)CC#N OR61297 [0,1,0,0,0,0|2,0,1]=4 102 B6R0.1 CCCC(=N)NO OR12351 [0,1,0,0,0,0|2,0,1]=4 103 B6R0.1 CCCC(C)C=O OR40018 [0,1,0,0,0,0|1,0,1]=3 104 B6R0.1 CCNC(=O)CBr OR40485 [0,1,0,0,0,0|1,0,0]=2 105 B6R0.1 CCOC(=O)C#N OR17890 [0,1,0,0,0,0|0,0,1]=2 106 B6R0.1 CCOC(=O)C=O OR59968 [0,1,0,0,0,0|0,0,1]=2 107 B6R0.1 CCOC(=O)CN OR43634 [0,1,0,0,0,0|0,0,0]=1 108 B6R0.1 CCOC(=O)CS OR17516 [0,1,0,0,0,0|0,0,0]=1 109 B6R0.1 CCOC(=O)NN OR25885 [0,1,0,0,0,0|1,0,0]=2 110 B6R0.1 CCOC(=O)NO OR9111 [0,1,0,0,0,0|1,0,0]=2 111 B6R0.1 CNC(=O)CC#N OR21454 [0,1,0,0,0,0|2,0,1]=4 112 B6R0.1 CNC(=O)CCN OR16480 [0,1,0,0,0,0|2,0,0]=3 113 B6R0.1 CNC(=O)CCN OR51734 [0,1,0,0,0,0|2,0,0]=3 114 B6R0.1 CNCC(=O)OC OR26803 [0,1,0,0,0,0|2,0,0]=3 115 B6R0.1 COC(=O)CC#N OR13190 [0,1,0,0,0,0|2,0,1]=4 116 B6R0.1 COC(=O)CCS OR28780 [0,1,0,0,0,0|2,0,0]=3 117 B6R0.1 COC(=O)CSC OR9387 [0,1,0,0,0,0|2,0,0]=3 118 B6R0.1 O=C=NC(=O)CCl OR59429 [0,1,0,0,0,0|2,0,1]=4 119 B6R0.1 [C-]#[N+]CC(=O)OC OR54541 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.2 CC(=O)C=C(C)N OR1506 [0,1,0,0,0,0|1,0,1]=3 121 B6R0.2 CC(=O)CC(C)=O OR16430 [0,1,0,0,0,0|1,0,1]=3 122 B6R0.2 CC(=O)CC(C)C OR61047 [0,1,0,0,0,0|1,0,0]=2 123 B6R0.2 CC(=O)NC(=N)N OR24582 [0,1,0,0,0,0|2,0,1]=4 124 B6R0.2 CC(=O)NC(N)=S OR18382 [0,1,0,0,0,0|2,0,1]=4 125 B6R0.2 CC(=O)\C=C(\C)[O-] OR15745 [0,1,0,0,0,0|1,0,1]=3 126 B6R0.2 CC(C)=CC(=O)Cl OR29360 [0,1,0,0,0,0|2,0,1]=4 127 B6R0.2 CC(C)=CC(=O)O OR46069 [0,1,0,0,0,0|2,0,1]=4 128 B6R0.2 CC(C)CC(=O)O OR2260 [0,1,0,0,0,0|2,0,0]=3 129 B6R0.2 CC(C)CC(N)=O OR22499 [0,1,0,0,0,0|2,0,0]=3 130 B6R0.2 CC(C)NC(C)C OR1090 [0,1,0,0,0,0|2,0,1]=4 131 B6R0.2 CC(C)NC(C)C OR12657 [0,1,0,0,0,0|2,0,1]=4 132 B6R0.2 CC(C)OC(C)C OR30780 [0,1,0,0,0,0|1,0,1]=3 133 B6R0.2 CC(Cl)OC(=O)Cl OR16433 [0,1,0,0,0,0|1,0,0]=2 134 B6R0.2 CC(O)CC(C)O OR10041 [0,1,0,0,0,0|1,0,2]=4 135 B6R0.2 CN(C)CC(=O)O OR45130 [0,1,0,0,0,0|3,0,0]=4 136 B6R0.2 C[SiH](C)O[SiH](C)C OR70109 [0,1,0,0,0,0|1,2,0]=4 137 B6R0.3 CC(=O)C(=O)CBr OR46042 [0,1,0,0,0,0|2,0,0]=3 138 B6R0.3 CC=C(C)C(C)=O OR0641 [0,1,0,0,0,0|1,0,1]=3 139 B6R0.3 CCC(N)C(=O)O OR9986 [0,1,0,0,0,0|2,0,0]=3 140 B6R0.3 CC[C@@H](N)C(=O)O OR9988 [0,1,0,0,0,0|2,0,0]=3 141 B6R0.3 CC[C@H](C)C(=O)O OR315294 [0,1,0,0,0,0|2,0,0]=3 142 B6R0.3 CC[C@H](Cl)C(=O)O OR54621 [0,1,0,0,0,0|2,0,0]=3 143 B6R0.3 CC[C@H](N)C(=O)O OR01636 [0,1,0,0,0,0|2,0,0]=3 144 B6R0.3 CC[C@H](N)C(N)=O OR46608 [0,1,0,0,0,0|2,0,0]=3 145 B6R0.3 CNC(=O)C(=O)O OR016302 [0,1,0,0,0,0|3,0,0]=4 146 B6R0.3 CNC(C)C(=O)O OR930477 [0,1,0,0,0,0|3,0,0]=4 147 B6R0.3 CN[C@@H](C)C(=O)O OR61451 [0,1,0,0,0,0|3,0,0]=4 148 B6R0.3 COC(=O)C(=O)[O-] OR303344 [0,1,0,0,0,0|3,0,0]=4 149 B6R0.3 CON(C)C(C)=O OR46610 [0,1,0,0,0,0|2,0,0]=3 150 B6R0.3 C\C=C(/C)C(=O)Cl OR55081 [0,1,0,0,0,0|2,0,1]=4 151 B6R0.3 C\C=C(\C)C(=O)O OR28647 [0,1,0,0,0,0|2,0,1]=4 152 B6R0.3 NCC(N)C(=O)O OR42215 [0,1,0,0,0,0|3,0,0]=4 153 B6R0.3 NCC(N)C(=O)O OR5494 [0,1,0,0,0,0|3,0,0]=4 154 B6R0.3 NCC(O)C(=O)O OR322969 [0,1,0,0,0,0|3,0,0]=4 155 B6R0.3 N[C@@H](CS)C(=O)O OR0325 [0,1,0,0,0,0|3,0,0]=4 156 B6R0.3 O=C(O)C(=O)CBr OR10838 [0,1,0,0,0,0|3,0,0]=4 157 B6R0.3 O=C(O)C(=O)CBr OR8799 [0,1,0,0,0,0|3,0,0]=4 158 B6R0.3 O=C(O)C(Br)CBr OR4887 [0,1,0,0,0,0|3,0,0]=4 159 B6R0.4 C#CCCC(=O)O OR5526 [0,1,0,0,0,0|2,0,1]=4 160 B6R0.4 C#CCNC(N)=O OR23964 [0,1,0,0,0,0|2,0,1]=4 161 B6R0.4 CC(=O)CCCCl OR10086 [0,1,0,0,0,0|1,0,0]=2 162 B6R0.4 CC(=O)NCCCl OR55006 [0,1,0,0,0,0|1,0,0]=2 163 B6R0.4 CC(=O)SCC#N OR24381 [0,1,0,0,0,0|0,1,1]=3 164 B6R0.4 CC(C)=CCCBr OR3008 [0,1,0,0,0,0|2,0,0]=3 165 B6R0.4 CCC#CC(=O)O OR70066 [0,1,0,0,0,0|2,0,0]=3 166 B6R0.4 CCC=CC(=O)O OR6566 [0,1,0,0,0,0|2,0,0]=3 167 B6R0.4 CCCCC(C)=O OR10020 [0,1,0,0,0,0|1,0,0]=2 168 B6R0.4 CCCC[C@H](C)O OR304042 [0,1,0,0,0,0|1,0,2]=4 169 B6R0.4 CCCOC(C)=O OR5312 [0,1,0,0,0,0|0,0,0]=1 170 B6R0.4 CCOCC(=O)O OR6531 [0,1,0,0,0,0|1,0,0]=2 171 B6R0.4 CN(C)CCCCl OR0910 [0,1,0,0,0,0|3,0,0]=4 172 B6R0.4 CN(C)CCCN OR54483 [0,1,0,0,0,0|3,0,0]=4 173 B6R0.4 CNCCC(=O)O OR301194 [0,1,0,0,0,0|2,0,0]=3 174 B6R0.4 CNCCC(N)=O OR17506 [0,1,0,0,0,0|2,0,0]=3 175 B6R0.4 CO\C=C\C(C)=O OR52529 [0,1,0,0,0,0|1,0,1]=3 176 B6R0.4 NC(=O)NCCO OR17003 [0,1,0,0,0,0|2,0,0]=3 177 B6R0.4 NCCCC(=O)O OR01972 [0,1,0,0,0,0|2,0,0]=3 178 B6R0.4 O=C(Cl)CCCCl OR5355 [0,1,0,0,0,0|2,0,0]=3 179 B6R0.4 O=C(O)CCCBr OR4284 [0,1,0,0,0,0|2,0,0]=3 180 B6R0.4 O=C(O)\C=C\CBr OR313099 [0,1,0,0,0,0|2,0,1]=4 181 B6R0.5 CCCC(C)(C)N OR30986 [0,1,0,0,0,0|2,0,1]=4 182 B6R0.5 CCCS(=O)(=O)Cl OR19492 [0,1,0,0,0,0|3,0,0]=4 183 B6R0.5 CCCS(N)(=O)=O OR11393 [0,1,0,0,0,0|3,0,0]=4 184 B6R0.5 CCNS(=O)(=O)Cl OR346218 [0,1,0,0,0,0|3,0,0]=4 185 B6R0.5 CS(=O)(=O)CCBr OR929569 [0,1,0,0,0,0|3,0,0]=4 186 B6R0.5 CS(=O)(=O)CCN OR12674 [0,1,0,0,0,0|3,0,0]=4 187 B6R0.5 CSCS(C)(=O)=O OR26323 [0,1,0,0,0,0|3,0,0]=4 188 B6R0.5 O=S(=O)(Cl)OCCl OR13650 [0,1,0,0,0,0|3,0,0]=4 189 B6R1.2 BrC1=CCCC1 OR59361 [0,0,0,1,0,0|2,0,0]=3 190 B6R1.2 BrC1CCCC1 OR10098 [0,0,0,1,0,0|2,0,1]=4 191 B6R1.2 CC1=CC=NO1 OR15750 [0,0,0,1,0,0|2,0,1]=4 192 B6R1.2 CC1=NCCO1 OR52090 [0,0,0,1,0,0|1,0,0]=2 193 B6R1.2 CC1CCCN1 OR30527 [0,0,0,1,0,0|2,0,1]=4 194 B6R1.2 CC1CCCO1 OR42160 [0,0,0,1,0,0|1,0,1]=3 195 B6R1.2 C[C@@H]1CCCN1 OR15684 [0,0,0,1,0,0|2,0,1]=4 196 B6R1.2 C[C@@H]1CCCN1 OR18417 [0,0,0,1,0,0|2,0,1]=4 197 B6R1.2 C[C@@H]1CCCN1 OR4617 [0,0,0,1,0,0|2,0,1]=4 198 B6R1.2 C[C@H]1CCCN1 OR460046 [0,0,0,1,0,0|2,0,1]=4 199 B6R1.2 C[C@H]1CCCN1 OR4618 [0,0,0,1,0,0|2,0,1]=4 200 B6R1.2 ClC1CCCC1 OR10099 [0,0,0,1,0,0|2,0,1]=4 201 B6R1.2 NC1=NCCS1 OR3199 [0,0,0,1,0,0|2,1,0]=4 202 B6R1.2 NC1CCCC1 OR10097 [0,0,0,1,0,0|2,0,1]=4 203 B6R1.2 O=C1C=CCC1 OR9084 [0,0,0,1,0,0|1,0,1]=3 204 B6R1.2 O=C1C=CCO1 OR2878 [0,0,0,1,0,0|0,0,2]=3 205 B6R1.2 O=C1CC=CC1 OR313063 [0,0,0,1,0,0|1,0,2]=4 206 B6R1.2 O=C1CCCC1 OR10095 [0,0,0,1,0,0|1,0,0]=2 207 B6R1.2 O=C1CCNC1 OR301124 [0,0,0,1,0,0|2,0,0]=3 208 B6R1.2 O=C1CCNC1 OR61343 [0,0,0,1,0,0|2,0,0]=3 209 B6R1.2 O=C1CCOC1 OR30821 [0,0,0,1,0,0|2,0,0]=3 210 B6R1.2 O=C1CCSC1 OR5506 [0,0,0,1,0,0|2,0,0]=3 211 B6R1.2 OC1CCCC1 OR10094 [0,0,0,1,0,0|1,0,2]=4 212 B6R1.2 S=C1CCCN1 OR22113 [0,0,0,1,0,0|1,1,0]=3 213 B6R1.2 S=C1NCCO1 OR28382 [0,0,0,1,0,0|1,1,0]=3 214 B6R1.3 CCNC1CC1 OR470784 [0,0,0,1,0,0|2,0,1]=4 215 B6R1.5 NC1CC(=O)C1 OR308095 [0,0,0,1,0,0|2,0,0]=3 216 B6R1.10 C[Si]1(C)CCC1 OR52271 [0,0,0,1,0,0|2,1,0]=4 217 B6R1.11 CC(=O)C1CC1 OR10100 [0,0,0,1,0,0|1,0,0]=2 218 B6R1.11 CC(=O)C1CO1 OR01831 [0,0,0,1,0,0|2,0,0]=3 219 B6R1.11 CC(N)C1CC1 OR7051 [0,0,0,1,0,0|2,0,1]=4 220 B6R1.11 CC(O)C1CC1 OR54516 [0,0,0,1,0,0|1,0,2]=4 221 B6R1.11 N=C(N)C1CC1 OR27201 [0,0,0,1,0,0|3,0,0]=4 222 B6R1.11 NC(=O)C1CC1 OR18286 [0,0,0,1,0,0|2,0,0]=3 223 B6R1.11 O=C(Cl)C1CC1 OR17255 [0,0,0,1,0,0|2,0,0]=3 224 B6R1.11 O=C(O)C1CC1 OR5295 [0,0,0,1,0,0|2,0,0]=3 225 B3R0.1 C#CCC OR19587 [2,0,0,0,0,0|0,0,2]=4 226 B3R0.1 C=CCBr OR16937 [2,0,0,0,0,0|1,0,1]=4 227 B3R0.1 C=CCC OR8591 [2,0,0,0,0,0|0,0,1]=3 228 B3R0.1 C=CCCl OR3848 [2,0,0,0,0,0|1,0,1]=4 229 B3R0.1 C=CCI OR460034 [2,0,0,0,0,0|1,0,1]=4 230 B3R0.1 CC#CC OR52506 [2,0,0,0,0,0|0,0,2]=4 231 B3R0.1 CC=CC OR61316 [2,0,0,0,0,0|0,0,1]=3 232 B3R0.1 CC=CCl OR40493 [2,0,0,0,0,0|1,0,1]=4 233 B3R0.1 CCC=O OR17251 [2,0,0,0,0,0|0,0,0]=2 234 B3R0.1 CCCC OR8385 [2,0,0,0,0,0|0,0,1]=3 235 B3R0.1 CCCCl OR460042 [2,0,0,0,0,0|1,0,1]=4 236 B3R0.1 CCCI OR4541 [2,0,0,0,0,0|1,0,1]=4 237 B3R0.1 CCCN OR15743 [2,0,0,0,0,0|1,0,1]=4 238 B3R0.1 CCNC OR30626 [2,0,0,0,0,0|1,0,0]=3 239 B3R0.1 CCNN OR939620 [2,0,0,0,0,0|2,0,0]=4 240 B3R0.1 CC[Mg]Br OR320091 [2,0,0,0,0,0|2,0,0]=4 241 B3R0.1 CC[Mg]Br OR320094 [2,0,0,0,0,0|2,0,0]=4 242 B3R0.1 CNOC OR12778 [2,0,0,0,0,0|1,0,0]=3 243 B3R0.1 COCBr OR11138 [2,0,0,0,0,0|1,0,0]=3 244 B3R0.1 CSCCl OR39998 [2,0,0,0,0,0|1,1,0]=4 245 B3R0.1 C\C=C/Cl OR4546 [2,0,0,0,0,0|1,0,1]=4 246 B3R0.1 C\C=C\C OR4472 [2,0,0,0,0,0|0,0,1]=3 247 B3R0.1 C\C=C\Cl OR6595 [2,0,0,0,0,0|1,0,1]=4 248 B3R0.2 C=C(C)Br OR55140 [2,0,0,0,0,0|1,0,1]=4 249 B3R0.2 C=C(C)C OR40492 [2,0,0,0,0,0|1,0,0]=3 250 B3R0.2 C=C(C)Cl OR1897 [2,0,0,0,0,0|1,0,1]=4 251 B3R0.2 CB(O)O OR3322 [2,0,0,0,0,0|1,0,1]=4 252 B3R0.2 CC(=N)N OR30204 [2,0,0,0,0,0|2,0,0]=4 253 B3R0.2 CC(=O)Br OR1943 [2,0,0,0,0,0|1,0,0]=3 254 B3R0.2 CC(=O)O OR28877 [2,0,0,0,0,0|0,0,0]=2 255 B3R0.2 CC(=O)O OR40340 [2,0,0,0,0,0|0,0,0]=2 256 B3R0.2 CC(=O)[O-] OR11032 [2,0,0,0,0,0|0,0,1]=3 257 B3R0.2 CC(=O)[S-] OR59966 [2,0,0,0,0,0|0,1,0]=3 258 B3R0.2 CC(C)I OR4540 [2,0,0,0,0,0|1,0,1]=4 259 B3R0.2 CC(C)N OR61315 [2,0,0,0,0,0|1,0,1]=4 260 B3R0.2 CC(N)=O OR16407 [2,0,0,0,0,0|1,0,0]=3 261 B3R0.2 CC(N)=S OR28604 [2,0,0,0,0,0|1,1,0]=4 262 B3R0.2 CN(C)C OR5415 [2,0,0,0,0,0|2,0,0]=4 263 B3R0.2 CS(=O)[O-] OR42101 [2,0,0,0,0,0|1,0,1]=4 264 B3R0.2 CS(C)=O OR61029 [2,0,0,0,0,0|1,0,0]=3 265 B3R0.2 C[13C](=O)O OR60238 [2,0,0,0,0,0|0,0,0]=2 266 B3R0.2 C[SiH](C)C OR17012 [2,0,0,0,0,0|1,1,0]=4 267 B3R0.2 NC(N)=O OR59884 [2,0,0,0,0,0|2,0,0]=4 268 B5R0.3 C#CC(=O)OC OR0649 [1,1,0,0,0,0|0,0,1]=3 269 B5R0.3 C=C(CCl)CCl OR11145 [1,1,0,0,0,0|2,0,0]=4 270 B5R0.3 C=C(CO)CO OR54371 [1,1,0,0,0,0|2,0,0]=4 271 B5R0.3 C=CC(=O)CC OR70148 [1,1,0,0,0,0|0,0,1]=3 272 B5R0.3 C=CC(=O)OC OR322452 [1,1,0,0,0,0|0,0,1]=3 273 B5R0.3 CC(C=O)=CN OR2402 [1,1,0,0,0,0|1,0,1]=4 274 B5R0.3 CCC(=O)CBr OR1465 [1,1,0,0,0,0|0,0,0]=2 275 B5R0.3 CCC(Br)CBr OR70073 [1,1,0,0,0,0|1,0,1]=4 276 B5R0.3 CCC(C)CN OR28802 [1,1,0,0,0,0|1,0,1]=4 277 B5R0.3 CCC(C)NN OR318093 [1,1,0,0,0,0|1,0,1]=4 278 B5R0.3 CCC(C)OC OR14508 [1,1,0,0,0,0|0,0,2]=4 279 B5R0.3 CCC(N)CC OR10080 [1,1,0,0,0,0|1,0,1]=4 280 B5R0.3 CCC(N)CO OR16670 [1,1,0,0,0,0|1,0,1]=4 281 B5R0.3 CCC(O)CC OR10042 [1,1,0,0,0,0|0,0,2]=4 282 B5R0.3 CCC(O)CN OR1554 [1,1,0,0,0,0|0,0,2]=4 283 B5R0.3 CC[C@@H](N)CO OR5871 [1,1,0,0,0,0|1,0,1]=4 284 B5R0.3 CC[C@@H](O)CO OR52088 [1,1,0,0,0,0|0,0,2]=4 285 B5R0.3 CC[C@H](N)CO OR5854 [1,1,0,0,0,0|1,0,1]=4 286 B5R0.3 COC(=O)CN OR52169 [1,1,0,0,0,0|0,0,0]=2 287 B5R0.3 COC(=O)CO OR21875 [1,1,0,0,0,0|0,0,0]=2 288 B5R0.3 COC(=O)CS OR62074 [1,1,0,0,0,0|0,0,0]=2 289 B5R0.3 O=C(CBr)CBr OR16995 [1,1,0,0,0,0|1,0,0]=3 290 B5R0.4 CCS(N)(=O)=O OR51744 [1,1,0,0,0,0|2,0,0]=4 291 B5R0.4 CNS(C)(=O)=O OR52265 [1,1,0,0,0,0|2,0,0]=4 292 B5R0.4 COC(C)(C)C OR59936 [1,1,0,0,0,0|1,0,1]=4 293 B5R0.4 CSS(C)(=O)=O OR70034 [1,1,0,0,0,0|1,1,0]=4 294 B5R0.5 C=C(C)C(=O)O OR54367 [1,1,0,0,0,0|1,0,1]=4 295 B5R0.5 C=C(C)C(C)C OR46606 [1,1,0,0,0,0|1,0,0]=3 296 B5R0.5 CC(=O)C(=O)O OR315034 [1,1,0,0,0,0|1,0,1]=4 297 B5R0.5 CC(=O)C(C)=O OR5248 [1,1,0,0,0,0|0,0,1]=3 298 B5R0.5 CC(=O)C(C)Br OR1466 [1,1,0,0,0,0|0,0,0]=2 299 B5R0.5 CC(=O)C(C)C OR5350 [1,1,0,0,0,0|0,0,0]=2 300 B5R0.5 CC(Br)C(=O)Cl OR40726 [1,1,0,0,0,0|1,0,0]=3 301 B5R0.5 CC(Br)C(N)=O OR24705 [1,1,0,0,0,0|1,0,0]=3 302 B5R0.5 CC(C)=C(C)C OR18350 [1,1,0,0,0,0|1,0,1]=4 303 B5R0.5 CC(C)C(=N)N OR27276 [1,1,0,0,0,0|2,0,0]=4 304 B5R0.5 CC(C)C(=O)Cl OR10005 [1,1,0,0,0,0|1,0,0]=3 305 B5R0.5 CC(C)C(C)C OR53144 [1,1,0,0,0,0|1,0,1]=4 306 B5R0.5 CC(C)C(C)O OR10026 [1,1,0,0,0,0|0,0,2]=4 307 B5R0.5 CN(C)C(=O)Cl OR51817 [1,1,0,0,0,0|2,0,0]=4 308 B5R0.5 CN(C)C(N)=O OR48247 [1,1,0,0,0,0|2,0,0]=4 309 B5R0.5 C[C@@H](Cl)C(=O)O OR52411 [1,1,0,0,0,0|1,0,0]=3 310 B5R0.5 C[C@@H](O)C(=O)O OR960721 [1,1,0,0,0,0|1,0,0]=3 311 B5R0.5 C[C@@H](O)C(N)=O OR18079 [1,1,0,0,0,0|1,0,0]=3 312 B5R0.5 C[C@@H](O)[C@@H](C)O OR15918 [1,1,0,0,0,0|0,0,2]=4 313 B5R0.5 C[C@H](Cl)C(=O)O OR28944 [1,1,0,0,0,0|1,0,0]=3 314 B5R0.5 C[C@H](N)C(N)=O OR22615 [1,1,0,0,0,0|1,0,0]=3 315 B5R0.5 C[C@H](O)[C@H](C)O OR15919 [1,1,0,0,0,0|0,0,2]=4 316 B5R0.5 NC(=O)C(Cl)Cl OR14320 [1,1,0,0,0,0|2,0,0]=4 317 B5R0.5 O=C(Cl)C(Cl)Cl OR5297 [1,1,0,0,0,0|2,0,0]=4 318 B5R0.5 [C@H](C)(N)C(N)=O OR22614 [1,1,0,0,0,0|1,0,0]=3 319 B5R0.2 BrC\C=C\CBr OR3193 [1,1,0,0,0,0|2,0,0]=4 320 B5R0.2 C=CCCCBr OR30608 [1,1,0,0,0,0|1,0,1]=4 321 B5R0.2 C=CCNC=O OR28268 [1,1,0,0,0,0|1,0,1]=4 322 B5R0.2 C=CCOCCl OR53036 [1,1,0,0,0,0|1,0,1]=4 323 B5R0.2 C=COCCO OR904259 [1,1,0,0,0,0|0,0,1]=3 324 B5R0.2 CCC#CCC OR5524 [1,1,0,0,0,0|1,0,1]=4 325 B5R0.2 CCC#CCO OR5519 [1,1,0,0,0,0|1,0,1]=4 326 B5R0.2 CCCCC=O OR5422 [1,1,0,0,0,0|1,0,0]=3 327 B5R0.2 CCCCCBr OR5396 [1,1,0,0,0,0|1,0,1]=4 328 B5R0.2 CCCCCI OR53033 [1,1,0,0,0,0|1,0,1]=4 329 B5R0.2 CCCCCN OR10079 [1,1,0,0,0,0|1,0,1]=4 330 B5R0.2 CCCCCO OR5324 [1,1,0,0,0,0|1,0,1]=4 331 B5R0.2 CCNCCN OR6517 [1,1,0,0,0,0|1,0,1]=4 332 B5R0.2 CCO\C=C/Br OR10832 [1,1,0,0,0,0|0,0,1]=3 333 B5R0.2 CCSCCCl OR10841 [1,1,0,0,0,0|0,1,1]=4 334 B5R0.2 CCSCCN OR8640 [1,1,0,0,0,0|0,1,1]=4 335 B5R0.2 CNCCCO OR309167 [1,1,0,0,0,0|2,0,0]=4 336 B5R0.2 CNCCNC OR322130 [1,1,0,0,0,0|2,0,0]=4 337 B5R0.2 COCCCBr OR911631 [1,1,0,0,0,0|2,0,0]=4 338 B5R0.2 COCCCN OR54484 [1,1,0,0,0,0|2,0,0]=4 339 B5R0.2 COCCCO OR0976 [1,1,0,0,0,0|2,0,0]=4 340 B5R0.2 CSCCCN OR12831 [1,1,0,0,0,0|2,0,0]=4 341 B5R0.2 O=C=NCCCl OR6436 [1,1,0,0,0,0|1,0,1]=4 342 B7R0.2 CC(=O)NC(C)CN OR321289 [0,2,0,0,0,0|1,0,0]=3 343 B7R0.2 CC(C)NC(=O)CCl OR25475 [0,2,0,0,0,0|1,0,0]=3 344 B7R0.2 CC(C)NC(=O)CN OR8216 [0,2,0,0,0,0|1,0,0]=3 345 B7R0.2 CC(C)OC(=O)CBr OR55079 [0,2,0,0,0,0|0,0,0]=2 346 B7R0.2 CC(C=O)=CN(C)C OR24502 [0,2,0,0,0,0|2,0,0]=4 347 B7R0.2 CCC(C)CC(=O)O OR5351 [0,2,0,0,0,0|2,0,0]=4 348 B7R0.2 CCC(N)CC(=O)O OR16680 [0,2,0,0,0,0|2,0,0]=4 349 B7R0.2 CC[C@@H](N)CC(=O)O OR40585 [0,2,0,0,0,0|2,0,0]=4 350 B7R0.2 CNC(=O)CC(C)=O OR54480 [0,2,0,0,0,0|1,0,1]=4 351 B7R0.2 COC(=O)C=C(C)C OR7136 [0,2,0,0,0,0|1,0,1]=4 352 B7R0.2 COC(=O)CC(C)=O OR54474 [0,2,0,0,0,0|1,0,1]=4 353 B7R0.2 COC(=O)C[C@@H](C)N OR913686 [0,2,0,0,0,0|1,0,0]=3 354 B7R0.2 COC(=O)C[C@@H](C)O OR28835 [0,2,0,0,0,0|1,0,0]=3 355 B7R0.2 COC(=O)\C=C(\C)N OR11326 [0,2,0,0,0,0|1,0,1]=4 356 B7R0.2 NCC(O)CC(=O)O OR1057 [0,2,0,0,0,0|2,0,0]=4 357 B7R0.3 C#CCNC(=O)CCl OR0726 [0,2,0,0,0,0|1,0,1]=4 358 B7R0.3 C=CC(=O)NCCN OR55289 [0,2,0,0,0,0|1,0,1]=4 359 B7R0.3 C=CCNC(=O)CCl OR2301 [0,2,0,0,0,0|1,0,1]=4 360 B7R0.3 CCC=CC(=O)OC OR40582 [0,2,0,0,0,0|1,0,0]=3 361 B7R0.3 CC\C(C)=C\CCBr OR3009 [0,2,0,0,0,0|2,0,0]=4 362 B7R0.3 CC\C=C\C(=O)OC OR6667 [0,2,0,0,0,0|1,0,0]=3 363 B7R0.3 CNCCC(=O)NC OR17002 [0,2,0,0,0,0|1,0,0]=3 364 B7R0.3 COC(=O)C=CCBr OR10966 [0,2,0,0,0,0|1,0,1]=4 365 B7R0.3 COC(=O)CCC=O OR313049 [0,2,0,0,0,0|1,0,1]=4 366 B7R0.3 COC(=O)CCCN OR22446 [0,2,0,0,0,0|1,0,0]=3 367 B7R0.5 CCOC(=O)C(=O)Cl OR17200 [0,2,0,0,0,0|0,0,1]=3 368 B7R0.5 CCOC(=O)C(=O)[O-] OR303345 [0,2,0,0,0,0|0,0,1]=3 369 B7R0.5 CCOC(=O)C(C)=O OR7781 [0,2,0,0,0,0|0,0,0]=2 370 B7R0.5 CCOC(=O)C(C)Br OR2205 [0,2,0,0,0,0|0,0,0]=2 371 B7R0.5 CCOC(=O)C(N)=S OR10873 [0,2,0,0,0,0|0,0,1]=3 372 B7R0.5 CCOC(=O)[C@H](C)O OR5301 [0,2,0,0,0,0|0,0,0]=2 373 B7R0.5 CNCC(N)C(=O)O OR6120T [0,2,0,0,0,0|2,0,0]=4 374 B7R0.5 COCC(Cl)C(=O)O OR15940 [0,2,0,0,0,0|2,0,0]=4 375 B7R0.5 COCC(N)C(=O)O OR14804 [0,2,0,0,0,0|2,0,0]=4 376 B7R0.5 COC[C@H](N)C(=O)O OR55011 [0,2,0,0,0,0|2,0,0]=4 377 B7R0.5 NCCC(N)C(=O)O OR28169 [0,2,0,0,0,0|2,0,0]=4 378 B7R0.5 N[C@@H](CCO)C(=O)O OR304076 [0,2,0,0,0,0|2,0,0]=4 379 B7R0.7 CC#CC(=O)OCC OR14510 [0,2,0,0,0,0|0,0,0]=2 380 B7R0.7 CCCC(=O)OCCl OR16070 [0,2,0,0,0,0|1,0,0]=3 381 B7R0.7 CCNC(=O)CC#N OR23490 [0,2,0,0,0,0|1,0,0]=3 382 B7R0.7 CCNC(=O)CNC OR12098 [0,2,0,0,0,0|1,0,0]=3 383 B7R0.7 CCNC(=O)NCC OR323264 [0,2,0,0,0,0|1,0,0]=3 384 B7R0.7 CCOC(=O)CC#N OR28668 [0,2,0,0,0,0|0,0,0]=2 385 B7R0.7 CCOC(=O)CCCl OR54512 [0,2,0,0,0,0|0,0,0]=2 386 B7R0.7 CCOC(=O)CCN OR26826 [0,2,0,0,0,0|0,0,0]=2 387 B7R0.7 CCOC(=O)COC OR30271 [0,2,0,0,0,0|0,0,0]=2 388 B7R0.7 CCOC(=O)N=C=S OR59819 [0,2,0,0,0,0|0,0,1]=3 389 B7R0.7 CCOC(=O)\C=C/Br OR27617 [0,2,0,0,0,0|0,0,1]=3 390 B7R0.7 O=C(CCCl)CCCl OR53098 [0,2,0,0,0,0|2,0,0]=4 391 B7R0.7 [C-]#[N+]CC(=O)OCC OR18110 [0,2,0,0,0,0|0,0,0]=2 392 B7R0.10 C=C(CBr)C(=O)OC OR322335 [0,2,0,0,0,0|2,0,0]=4 393 B7R0.10 CCC(=O)N(C)OC OR962763 [0,2,0,0,0,0|2,0,0]=4 394 B7R0.10 CCC(Br)C(=O)OC OR8824 [0,2,0,0,0,0|1,0,0]=3 395 B7R0.10 CCC(N)C(=O)OC OR322366 [0,2,0,0,0,0|1,0,0]=3 396 B7R0.10 CC[C@@H](O)C(=O)OC OR52393 [0,2,0,0,0,0|1,0,0]=3 397 B7R0.10 COC(=O)C(=O)CBr OR8931 [0,2,0,0,0,0|2,0,0]=4 398 B7R0.10 COC(=O)C(Br)CBr OR3479 [0,2,0,0,0,0|2,0,0]=4 399 B7R0.10 COC(=O)C(N)CS OR26796 [0,2,0,0,0,0|2,0,0]=4 400 B7R0.10 CON(C)C(=O)CCl OR10843 [0,2,0,0,0,0|2,0,0]=4 401 B7R0.9 CC(=O)CC(C)(C)C OR0844 [0,2,0,0,0,0|1,0,0]=3 402 B7R0.9 CC(C)(C)CC(=O)O OR0494 [0,2,0,0,0,0|2,0,0]=4 403 B7R0.9 CC(C)(C)OC(N)=O OR55005 [0,2,0,0,0,0|1,0,0]=3 404 B7R0.9 CC(C)(N)CC(=O)O OR01641 [0,2,0,0,0,0|2,0,0]=4 405 B7R0.16 CC(=O)C(Cl)C(C)=O OR47825 [0,2,0,0,0,0|1,0,1]=4 406 B7R0.16 CC(C)[C@@H](N)C(=O)O OR5884 [0,2,0,0,0,0|2,0,0]=4 407 B7R0.16 CC(C)[C@@H](O)C(=O)O OR6367 [0,2,0,0,0,0|2,0,0]=4 408 B7R0.16 CC(C)[C@H](O)C(=O)O OR17815 [0,2,0,0,0,0|2,0,0]=4 409 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O OR316027 [0,2,0,0,0,0|2,0,0]=4 410 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O OR2477 [0,2,0,0,0,0|2,0,0]=4 411 B7R0.15 COC(OC)C(C)=O OR40044 [0,2,0,0,0,0|2,0,0]=4 412 B7R0.4 C#CCCCC(=O)O OR30593 [0,2,0,0,0,0|2,0,0]=4 413 B7R0.4 CC(=O)NCCCO OR26764 [0,2,0,0,0,0|1,0,0]=3 414 B7R0.4 CCCCCC(=O)Cl OR8839 [0,2,0,0,0,0|2,0,0]=4 415 B7R0.4 CCCCCC(=O)O OR6007 [0,2,0,0,0,0|2,0,0]=4 416 B7R0.4 CCOC=CC(=O)Cl OR015045 [0,2,0,0,0,0|1,0,0]=3 417 B7R0.4 CCOC=CC(=O)O OR27579 [0,2,0,0,0,0|1,0,0]=3 418 B7R0.4 C\C=C\CCC(=O)O OR60122 [0,2,0,0,0,0|2,0,0]=4 419 B7R0.4 NCCCCC(=O)O OR310635 [0,2,0,0,0,0|2,0,0]=4 420 B7R0.4 O=C(Cl)CCCCBr OR18308 [0,2,0,0,0,0|2,0,0]=4 421 B7R0.4 O=C(O)CCCCBr OR9972 [0,2,0,0,0,0|2,0,0]=4 422 B7R0.4 O=C(O)COCCCl OR301184 [0,2,0,0,0,0|1,0,0]=3 423 B7R0.6 CC(=O)C=CC(C)C OR27820 [0,2,0,0,0,0|1,0,0]=3 424 B7R0.6 CC(=O)CCC(C)=O OR8860 [0,2,0,0,0,0|1,0,0]=3 425 B7R0.6 CC(=O)OCC(=O)Cl OR1899 [0,2,0,0,0,0|0,0,1]=3 426 B7R0.6 CC(C)CCC(=O)O OR40421 [0,2,0,0,0,0|2,0,0]=4 427 B7R0.6 CC(C)OCC(=O)O OR46564 [0,2,0,0,0,0|1,0,0]=3 428 B7R0.6 CC(C)\C=C/C(=O)O OR6364 [0,2,0,0,0,0|2,0,0]=4 429 B7R0.8 CNCCS(C)(=O)=O OR12717 [0,2,0,0,0,0|2,0,0]=4 430 B7R0.8 CS(=O)(=O)SCCN OR0910T [0,2,0,0,0,0|1,1,0]=4 431 B5R1.2 BrC1CCC1 OR41168 [1,0,0,1,0,0|1,0,1]=4 432 B5R1.2 NC1CCC1 OR59991 [1,0,0,1,0,0|1,0,1]=4 433 B5R1.2 O=C1CCC1 OR30488 [1,0,0,1,0,0|0,0,0]=2 434 B5R1.2 O=C1CCN1 OR24812 [1,0,0,1,0,0|1,0,0]=3 435 B5R1.2 O=C1CNC1 OR308018 [1,0,0,1,0,0|1,0,0]=3 436 B5R1.2 O=C1COC1 OR301011 [1,0,0,1,0,0|1,0,0]=3 437 B5R1.3 CCC1CO1 OR40339 [1,0,0,1,0,0|0,0,2]=4 438 B5R1.3 CC[C@@H]1CO1 OR42174 [1,0,0,1,0,0|0,0,2]=4 439 B5R1.3 CC[C@H]1CO1 OR42173 [1,0,0,1,0,0|0,0,2]=4 440 B5R1.5 CC1(N)CC1 OR16691 [1,0,0,1,0,0|1,0,1]=4 441 B5R1.1 C1=CCCC1 OR10096 [1,0,0,1,0,0|1,0,0]=3 442 B5R1.1 C1=CCNC1 OR2396 [1,0,0,1,0,0|2,0,0]=4 443 B5R1.1 C1=CCOC1 OR5462 [1,0,0,1,0,0|2,0,0]=4 444 B5R1.1 C1=COCC1 OR2896 [1,0,0,1,0,0|0,0,1]=3 445 B5R1.1 C1=NCCO1 OR305316 [1,0,0,1,0,0|1,0,0]=3 446 B5R1.1 C1CCCC1 OR61603 [1,0,0,1,0,0|1,0,1]=4 447 B5R1.1 C1CCNC1 OR0971 [1,0,0,1,0,0|1,0,1]=4 448 B5R1.1 C1CCOC1 OR30761S [1,0,0,1,0,0|0,0,1]=3 449 B5R1.1 C1CNOC1 OR55263 [1,0,0,1,0,0|1,0,0]=3 450 B7R1.1 BrCC1CCCO1 OR23265 [0,1,0,1,0,0|1,0,1]=4 451 B7R1.1 BrCC1OCCO1 OR54338 [0,1,0,1,0,0|0,0,2]=4 452 B7R1.1 ClCC1=NCCN1 OR7709 [0,1,0,1,0,0|2,0,0]=4 453 B7R1.1 NCC1CCCO1 OR10076 [0,1,0,1,0,0|1,0,1]=4 454 B7R1.1 O=CC1CCCC1 OR16978 [0,1,0,1,0,0|1,0,1]=4 455 B7R1.1 OC[C@@H]1CCCO1 OR40670 [0,1,0,1,0,0|0,0,2]=4 456 B7R1.1 OC[C@H]1CCCO1 OR307767 [0,1,0,1,0,0|0,0,2]=4 457 B7R1.2 CC1=CC(=O)CC1 OR17891 [0,1,0,1,0,0|1,0,1]=4 458 B7R1.2 CC1=CC(=O)NO1 OR2998 [0,1,0,1,0,0|0,0,2]=4 459 B7R1.2 CC1=CC=C(C)O1 OR28939 [0,1,0,1,0,0|1,0,1]=4 460 B7R1.2 C[C@@H]1COC(=O)O1 OR13704 [0,1,0,1,0,0|0,0,0]=2 461 B7R1.2 O=C1CCC(=O)C1 OR24952 [0,1,0,1,0,0|1,0,1]=4 462 B7R1.2 O=C1CCC(=O)O1 OR42120 [0,1,0,1,0,0|0,0,1]=3 463 B7R1.2 O=C1COC(=O)C1 OR15973 [0,1,0,1,0,0|0,0,1]=3 464 B7R1.2 O=C1COC(=O)C1 OR28721 [0,1,0,1,0,0|0,0,1]=3 465 B7R1.2 O=C1C[C@@H](O)CO1 OR4605 [0,1,0,1,0,0|0,0,0]=2 466 B7R1.2 O=C1C[C@H](O)CN1 OR60184 [0,1,0,1,0,0|1,0,0]=3 467 B7R1.2 O=C1OCC(Cl)O1 OR16071 [0,1,0,1,0,0|1,0,0]=3 468 B7R1.3 CC1=CCCCC1 OR7135 [0,1,0,1,0,0|2,0,0]=4 469 B7R1.3 CC1CCOCO1 OR10967 [0,1,0,1,0,0|1,0,1]=4 470 B7R1.3 CC1CNCCO1 OR301073 [0,1,0,1,0,0|1,0,1]=4 471 B7R1.3 CC1COCCN1 OR41010 [0,1,0,1,0,0|1,0,1]=4 472 B7R1.3 C[C@@H]1CNCCO1 OR70093 [0,1,0,1,0,0|1,0,1]=4 473 B7R1.3 C[C@@H]1COCCN1 OR17129 [0,1,0,1,0,0|1,0,1]=4 474 B7R1.3 C[C@@H]1COCCN1 OR308175 [0,1,0,1,0,0|1,0,1]=4 475 B7R1.3 C[C@H]1CNCCO1 OR308176 [0,1,0,1,0,0|1,0,1]=4 476 B7R1.3 C[C@H]1CNCCO1 OR45132 [0,1,0,1,0,0|1,0,1]=4 477 B7R1.3 C[C@H]1COCCN1 OR308174 [0,1,0,1,0,0|1,0,1]=4 478 B7R1.3 NC1CCCOC1 OR52254 [0,1,0,1,0,0|1,0,1]=4 479 B7R1.3 NC1CCCOC1 OR70184 [0,1,0,1,0,0|1,0,1]=4 480 B7R1.3 O=C1C=CCCC1 OR18379 [0,1,0,1,0,0|1,0,0]=3 481 B7R1.3 O=C1C=CCCO1 OR70226 [0,1,0,1,0,0|0,0,1]=3 482 B7R1.3 O=C1CCCCN1 OR5194 [0,1,0,1,0,0|1,0,0]=3 483 B7R1.3 O=C1CCCCO1 OR10065 [0,1,0,1,0,0|0,0,0]=2 484 B7R1.3 O=C1CCCNC1 OR40196 [0,1,0,1,0,0|1,0,0]=3 485 B7R1.3 O=C1CCCOC1 OR301349 [0,1,0,1,0,0|0,0,0]=2 486 B7R1.3 O=C1CCNCC1 OR55344 [0,1,0,1,0,0|1,0,0]=3 487 B7R1.3 O=C1CCNCC1 OR6945 [0,1,0,1,0,0|1,0,0]=3 488 B7R1.3 O=C1CCOCC1 OR9280 [0,1,0,1,0,0|1,0,0]=3 489 B7R1.3 O=C1CCSCC1 OR27391 [0,1,0,1,0,0|1,0,0]=3 490 B7R1.3 O=C1CNCCN1 OR4565 [0,1,0,1,0,0|1,0,0]=3 491 B7R1.3 O=C1COCCN1 OR301177 [0,1,0,1,0,0|1,0,0]=3 492 B7R1.3 O=C1OCCCO1 OR41165 [0,1,0,1,0,0|0,0,0]=2 493 B7R1.3 OC1CCCOC1 OR46583 [0,1,0,1,0,0|0,0,2]=4 494 B7R1.3 S=C1NCCCN1 OR21392 [0,1,0,1,0,0|1,1,0]=4 495 B7R1.3 S=C1NCCCS1 OR15461 [0,1,0,1,0,0|0,2,0]=4 496 B7R1.4 BrC1=C(Br)CCC1 OR13703 [0,1,0,1,0,0|2,0,0]=4 497 B7R1.4 CC1CCOC1=O OR55456 [0,1,0,1,0,0|0,0,0]=2 498 B7R1.4 CC1OCCC1=O OR28730 [0,1,0,1,0,0|0,0,1]=3 499 B7R1.4 CN1CCNC1=S OR45131 [0,1,0,1,0,0|1,1,0]=4 500 B7R1.4 NC1CCOC1=O OR5100 [0,1,0,1,0,0|0,0,0]=2 501 B7R1.4 N[C@H]1CCOC1=O OR54538 [0,1,0,1,0,0|0,0,0]=2 502 B7R1.4 O=C1CCC=C1Br OR19566 [0,1,0,1,0,0|1,0,1]=4 503 B7R1.4 O=C1CCCC1Cl OR5230 [0,1,0,1,0,0|1,0,0]=3 504 B7R1.4 O=C1NCCC1O OR40442 [0,1,0,1,0,0|1,0,0]=3 505 B7R1.4 O=C1OCCC1Br OR5280 [0,1,0,1,0,0|0,0,0]=2 506 B7R1.4 O=C1OCC[C@@H]1O OR315288 [0,1,0,1,0,0|0,0,0]=2 507 B7R1.4 O=C1OCC[C@H]1O OR315289 [0,1,0,1,0,0|0,0,0]=2 508 B7R1.10 C=C1CC(CN)C1 OR6220 [0,1,0,1,0,0|2,0,0]=4 509 B7R1.10 O=C1CC(CBr)C1 OR317135 [0,1,0,1,0,0|1,0,0]=3 510 B7R1.10 O=C1CC(CO)C1 OR308103 [0,1,0,1,0,0|1,0,0]=3 511 B7R1.10 O=C1CC(CO)N1 OR51994 [0,1,0,1,0,0|1,0,0]=3 512 B7R1.22 COC(=O)[C@H]1CN1 OR313079 [0,1,0,1,0,0|2,0,0]=4 513 B7R1.25 CC1(CO)CCO1 OR309085 [0,1,0,1,0,0|0,0,2]=4 514 B7R1.12 C[C@@H]1C[C@H]1C(=O)O OR303309 [0,1,0,1,0,0|2,0,0]=4 515 B7R1.12 C[C@H]1C[C@@H]1C(=O)O OR41152 [0,1,0,1,0,0|2,0,0]=4 516 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I OR302295 [0,1,0,1,0,0|2,0,0]=4 517 B7R1.20 NC(=O)NC1CC1 OR21332 [0,1,0,1,0,0|2,0,0]=4 518 B7R1.20 O=C(O)CC1CC1 OR59893 [0,1,0,1,0,0|2,0,0]=4 519 B7R1.18 NC(=O)C1CNC1 OR308017 [0,1,0,1,0,0|2,0,0]=4 520 B7R1.18 NC(=O)C1CNC1 OR317162 [0,1,0,1,0,0|2,0,0]=4 521 B7R1.18 O=C(Cl)C1CCC1 OR28716 [0,1,0,1,0,0|2,0,0]=4 522 B7R1.18 O=C(O)C1CCC1 OR8888 [0,1,0,1,0,0|2,0,0]=4 523 B7R1.18 O=C(O)C1CNC1 OR0961 [0,1,0,1,0,0|2,0,0]=4 524 B7R1.18 O=C(O)C1COC1 OR309073 [0,1,0,1,0,0|2,0,0]=4 525 B7R1.18 O=C(O)C1CSC1 OR312065 [0,1,0,1,0,0|2,0,0]=4 526 B7R1.18 O=C(O)[C@@H]1CCN1 OR1250T [0,1,0,1,0,0|2,0,0]=4 527 B7R1.19 CC1(C(=O)O)CC1 OR24738 [0,1,0,1,0,0|2,0,0]=4 528 B7R1.19 NC1(C(=O)O)CC1 OR0355T [0,1,0,1,0,0|2,0,0]=4 529 B7R1.19 O=C(O)C1(O)CC1 OR15989 [0,1,0,1,0,0|2,0,0]=4 530 B7R1.14 N=S1(=O)CCCC1 OR310524 [0,1,0,1,0,0|2,0,0]=4 531 B7R1.14 O=S1(=O)CCCC1 OR51759 [0,1,0,1,0,0|2,0,0]=4