0 B6R0.1 C#CC(=O)OCC OR28819 [0,0,0,0,0,0|0,0,2]=2 1 B6R0.1 CCCC(=N)NO OR12351 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.1 CCCC(C)C=O OR40018 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 CCNC(=O)CBr OR40485 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.1 CCOC(=O)C#N OR17890 [0,0,0,0,0,0|1,0,1]=2 5 B6R0.1 CCOC(=O)C=O OR59968 [0,0,0,0,0,0|1,0,0]=1 6 B6R0.1 CCOC(=O)CN OR43634 [0,0,0,0,0,0|1,0,1]=2 7 B6R0.1 CCOC(=O)CS OR17516 [0,0,0,0,0,0|1,0,1]=2 8 B6R0.1 CCOC(=O)NN OR25885 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.1 CCOC(=O)NO OR9111 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.1 CNC(=O)CCN OR16480 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.1 CNC(=O)CCN OR51734 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.1 CNCC(=O)OC OR26803 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.1 COC(=O)CCS OR28780 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.1 COC(=O)CSC OR9387 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 C=COC(=O)Cl OR3129 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.1 CC#CC(=O)O OR315221 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 CC(=O)NCO OR61255 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CCCC(=O)O OR6005 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.1 CCCC(=O)[O-] OR8783 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.1 CCNC(N)=O OR42229 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 CCOC(=S)[S-] OR59885 [1,0,0,0,0,0|1,1,0]=3 22 B5R0.1 COCC(=O)Cl OR40393 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.1 CSCC(=O)O OR4573 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.1 NC(=O)CCBr OR322315 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.1 NC(=O)CCCl OR26786 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.1 NCCC(=O)O OR5225 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.1 O=C(Cl)CCCl OR11057 [1,0,0,0,0,0|3,0,0]=4 28 B5R0.1 O=C(O)CCBr OR8993 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.1 O=C(O)CCO OR59874 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.1 O=C(O)CCO OR70031 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.2 C=CCCCBr OR30608 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.2 C=CCOCCl OR53036 [1,0,0,0,0,0|1,0,1]=3 33 B5R0.2 C=COCCO OR904259 [1,0,0,0,0,0|3,0,0]=4 34 B5R0.2 CCCCC=O OR5422 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.2 CCO\C=C/Br OR10832 [1,0,0,0,0,0|1,0,0]=2 36 B5R0.3 C#CC(=O)OC OR0649 [1,0,0,0,0,0|0,0,2]=3 37 B5R0.3 C=CC(=O)CC OR70148 [1,0,0,0,0,0|0,0,0]=1 38 B5R0.3 C=CC(=O)OC OR322452 [1,0,0,0,0,0|0,0,0]=1 39 B5R0.3 CCC(=O)CBr OR1465 [1,0,0,0,0,0|1,0,1]=3 40 B5R0.3 COC(=O)CN OR52169 [1,0,0,0,0,0|1,0,1]=3 41 B5R0.3 COC(=O)CO OR21875 [1,0,0,0,0,0|1,0,1]=3 42 B5R0.3 COC(=O)CS OR62074 [1,0,0,0,0,0|1,0,1]=3 43 B5R0.3 O=C(CBr)CBr OR16995 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.2 CC(C)NC(=O)CCl OR25475 [0,1,0,0,0,0|2,0,1]=4 45 B7R0.2 CC(C)NC(=O)CN OR8216 [0,1,0,0,0,0|2,0,1]=4 46 B7R0.2 CC(C)OC(=O)CBr OR55079 [0,1,0,0,0,0|1,0,1]=3 47 B7R0.2 COC(=O)C[C@@H](C)N OR913686 [0,1,0,0,0,0|2,0,1]=4 48 B7R0.2 COC(=O)C[C@@H](C)O OR28835 [0,1,0,0,0,0|2,0,1]=4 49 B7R0.3 C=CC(=O)NCCN OR55289 [0,1,0,0,0,0|1,0,0]=2 50 B7R0.3 CCC=CC(=O)OC OR40582 [0,1,0,0,0,0|2,0,1]=4 51 B7R0.3 CC\C=C\C(=O)OC OR6667 [0,1,0,0,0,0|2,0,1]=4 52 B7R0.3 CNCCC(=O)NC OR17002 [0,1,0,0,0,0|2,0,1]=4 53 B7R0.3 COC(=O)CCCN OR22446 [0,1,0,0,0,0|2,0,1]=4 54 B7R0.5 CCOC(=O)C(=O)Cl OR17200 [0,1,0,0,0,0|1,0,0]=2 55 B7R0.5 CCOC(=O)C(=O)[O-] OR303345 [0,1,0,0,0,0|1,0,0]=2 56 B7R0.5 CCOC(=O)C(C)=O OR7781 [0,1,0,0,0,0|0,0,1]=2 57 B7R0.5 CCOC(=O)C(C)Br OR2205 [0,1,0,0,0,0|0,0,2]=3 58 B7R0.5 CCOC(=O)C(N)=S OR10873 [0,1,0,0,0,0|1,0,0]=2 59 B7R0.5 CCOC(=O)[C@H](C)O OR5301 [0,1,0,0,0,0|0,0,2]=3 60 B7R0.7 CC#CC(=O)OCC OR14510 [0,1,0,0,0,0|0,0,2]=3 61 B7R0.7 CCCC(=O)OCCl OR16070 [0,1,0,0,0,0|1,0,2]=4 62 B7R0.7 CCNC(=O)CC#N OR23490 [0,1,0,0,0,0|1,0,2]=4 63 B7R0.7 CCNC(=O)CNC OR12098 [0,1,0,0,0,0|1,0,2]=4 64 B7R0.7 CCNC(=O)NCC OR323264 [0,1,0,0,0,0|1,0,2]=4 65 B7R0.7 CCOC(=O)CC#N OR28668 [0,1,0,0,0,0|0,0,2]=3 66 B7R0.7 CCOC(=O)CCCl OR54512 [0,1,0,0,0,0|0,0,2]=3 67 B7R0.7 CCOC(=O)CCN OR26826 [0,1,0,0,0,0|0,0,2]=3 68 B7R0.7 CCOC(=O)COC OR30271 [0,1,0,0,0,0|0,0,2]=3 69 B7R0.7 CCOC(=O)N=C=S OR59819 [0,1,0,0,0,0|1,0,1]=3 70 B7R0.7 CCOC(=O)\C=C/Br OR27617 [0,1,0,0,0,0|0,0,0]=1 71 B7R0.7 [C-]#[N+]CC(=O)OCC OR18110 [0,1,0,0,0,0|0,0,2]=3 72 B7R0.10 CCC(Br)C(=O)OC OR8824 [0,1,0,0,0,0|2,0,1]=4 73 B7R0.10 CCC(N)C(=O)OC OR322366 [0,1,0,0,0,0|2,0,1]=4 74 B7R0.10 CC[C@@H](O)C(=O)OC OR52393 [0,1,0,0,0,0|2,0,1]=4 75 B7R1.1 C=CC1=CC=CO1 OR400374 [0,0,0,1,0,0|1,0,2]=4 76 B7R1.2 CC1=CC=C(Br)S1 OR15029 [0,0,0,1,0,0|1,1,1]=4 77 B7R1.2 CC1=CC=C(C)O1 OR28939 [0,0,0,1,0,0|1,0,1]=3 78 B7R1.2 CC1=CC=C(C)S1 OR10142 [0,0,0,1,0,0|1,1,1]=4 79 B7R1.2 CC1=CC=C(I)S1 OR61040 [0,0,0,1,0,0|1,1,1]=4 80 B7R1.2 CC1=CC=C(N)S1 OR19530 [0,0,0,1,0,0|1,1,1]=4 81 B7R1.2 CC1=NN(C)C=C1 OR2502 [0,0,0,1,0,0|3,0,0]=4 82 B7R1.2 CN1C=CC(I)=N1 OR9305 [0,0,0,1,0,0|3,0,0]=4 83 B7R1.2 CN1C=CC(N)=N1 OR24245 [0,0,0,1,0,0|3,0,0]=4 84 B7R1.2 C[C@@H]1COC(=O)O1 OR13704 [0,0,0,1,0,0|1,0,1]=3 85 B7R1.2 O=C1C=CC(=O)N1 OR5487 [0,0,0,1,0,0|2,0,1]=4 86 B7R1.2 O=C1C=CC(=O)O1 OR61510 [0,0,0,1,0,0|1,0,1]=3 87 B7R1.2 O=C1OCC(Cl)O1 OR16071 [0,0,0,1,0,0|2,0,1]=4 88 B7R1.3 CC1=CCCCC1 OR7135 [0,0,0,1,0,0|2,0,1]=4 89 B7R1.3 O=C1C=CC=NN1 OR2215 [0,0,0,1,0,0|2,0,1]=4 90 B7R1.3 O=C1C=CCCC1 OR18379 [0,0,0,1,0,0|1,0,0]=2 91 B7R1.3 O=C1C=CCCO1 OR70226 [0,0,0,1,0,0|0,0,0]=1 92 B7R1.3 O=C1C=CN=CN1 OR16979 [0,0,0,1,0,0|2,0,1]=4 93 B7R1.3 O=C1CCCCN1 OR5194 [0,0,0,1,0,0|1,0,2]=4 94 B7R1.3 O=C1CCCCO1 OR10065 [0,0,0,1,0,0|0,0,2]=3 95 B7R1.3 O=C1CCCNC1 OR40196 [0,0,0,1,0,0|2,0,1]=4 96 B7R1.3 O=C1CCCOC1 OR301349 [0,0,0,1,0,0|2,0,1]=4 97 B7R1.3 O=C1CNCCN1 OR4565 [0,0,0,1,0,0|2,0,1]=4 98 B7R1.3 O=C1COCCN1 OR301177 [0,0,0,1,0,0|2,0,1]=4 99 B7R1.3 O=C1OCCCO1 OR41165 [0,0,0,1,0,0|1,0,1]=3 100 B7R1.4 BrC1=C(Br)CCC1 OR13703 [0,0,0,1,0,0|3,0,0]=4 101 B7R1.4 CC1CCOC1=O OR55456 [0,0,0,1,0,0|0,0,2]=3 102 B7R1.4 CC1OCCC1=O OR28730 [0,0,0,1,0,0|2,0,1]=4 103 B7R1.4 NC1CCOC1=O OR5100 [0,0,0,1,0,0|1,0,1]=3 104 B7R1.4 N[C@H]1CCOC1=O OR54538 [0,0,0,1,0,0|1,0,1]=3 105 B7R1.4 O=C1CCC=C1Br OR19566 [0,0,0,1,0,0|2,0,1]=4 106 B7R1.4 O=C1CCCC1Cl OR5230 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.4 O=C1NCCC1O OR40442 [0,0,0,1,0,0|2,0,1]=4 108 B7R1.4 O=C1OCCC1Br OR5280 [0,0,0,1,0,0|1,0,1]=3 109 B7R1.4 O=C1OCC[C@@H]1O OR315288 [0,0,0,1,0,0|1,0,1]=3 110 B7R1.4 O=C1OCC[C@H]1O OR315289 [0,0,0,1,0,0|1,0,1]=3 111 B4R0.1 C#CC(=O)O OR30972 [2,0,0,0,0,0|0,0,2]=4 112 B4R0.1 C#CC(C)=O OR7548 [2,0,0,0,0,0|0,0,2]=4 113 B4R0.1 C=C(C)CBr OR17610 [2,0,0,0,0,0|2,0,0]=4 114 B4R0.1 C=C(C)CC OR14507 [2,0,0,0,0,0|1,0,0]=3 115 B4R0.1 C=C(C)CCl OR16423 [2,0,0,0,0,0|2,0,0]=4 116 B4R0.1 C=C(C)CN OR10897 [2,0,0,0,0,0|2,0,0]=4 117 B4R0.1 C=C(C)CN OR59958 [2,0,0,0,0,0|2,0,0]=4 118 B4R0.1 C=C(C)CO OR16426 [2,0,0,0,0,0|2,0,0]=4 119 B4R0.1 C=C(C)OC OR17619 [2,0,0,0,0,0|1,0,0]=3 120 B4R0.1 C=C(Cl)CCl OR5736 [2,0,0,0,0,0|2,0,0]=4 121 B4R0.1 C=C(Cl)CO OR9536 [2,0,0,0,0,0|2,0,0]=4 122 B4R0.1 C=CC(C)C OR460043 [2,0,0,0,0,0|1,0,1]=4 123 B4R0.1 C=CC(C)Cl OR55516 [2,0,0,0,0,0|1,0,1]=4 124 B4R0.1 CC(=O)C=O OR53061 [2,0,0,0,0,0|1,0,0]=3 125 B4R0.1 CC(=O)C=O OR5752 [2,0,0,0,0,0|1,0,0]=3 126 B4R0.1 CC(=O)CO OR17702 [2,0,0,0,0,0|1,0,1]=4 127 B4R0.1 CC(=O)NO OR6375T [2,0,0,0,0,0|2,0,0]=4 128 B4R0.1 CC(C)=CCl OR16424 [2,0,0,0,0,0|2,0,0]=4 129 B4R0.1 CCC(=N)N OR200136 [2,0,0,0,0,0|2,0,0]=4 130 B4R0.1 CCC(=O)[O-] OR70110 [2,0,0,0,0,0|1,0,0]=3 131 B4R0.1 COC(N)=O OR46510 [2,0,0,0,0,0|1,0,0]=3 132 B4R0.1 C\C(Cl)=C/Cl OR460035 [2,0,0,0,0,0|2,0,0]=4 133 B4R0.1 NC(=O)CBr OR6592 [2,0,0,0,0,0|2,0,0]=4 134 B4R0.1 NC(=O)CCl OR12801 [2,0,0,0,0,0|2,0,0]=4 135 B4R0.1 NC(=O)CI OR59962 [2,0,0,0,0,0|2,0,0]=4 136 B4R0.1 NC(=O)CO OR21888 [2,0,0,0,0,0|2,0,0]=4 137 B4R0.1 NC(=O)CS OR24255 [2,0,0,0,0,0|2,0,0]=4 138 B4R0.1 O=C(Cl)CBr OR54475 [2,0,0,0,0,0|2,0,0]=4 139 B4R0.1 O=C(O)CBr OR6366 [2,0,0,0,0,0|1,0,1]=4 140 B4R0.1 O=C(O)CI OR322006 [2,0,0,0,0,0|1,0,1]=4 141 B4R0.1 O=C(O)CO OR13191 [2,0,0,0,0,0|1,0,1]=4 142 B4R0.1 O=C([O-])CS OR30627 [2,0,0,0,0,0|2,0,0]=4 143 B4R0.1 O=CC(=O)O OR52099 [2,0,0,0,0,0|1,0,0]=3 144 B4R0.2 C#COCC OR4769 [2,0,0,0,0,0|0,0,2]=4 145 B4R0.2 C=CCCBr OR8033 [2,0,0,0,0,0|1,0,1]=4 146 B4R0.2 C=CCCC OR5326 [2,0,0,0,0,0|0,0,1]=3 147 B4R0.2 C=CCNC OR3619 [2,0,0,0,0,0|1,0,1]=4 148 B4R0.2 CC=CCCl OR5497 [2,0,0,0,0,0|1,0,1]=4 149 B4R0.2 CC=CCO OR18372 [2,0,0,0,0,0|1,0,1]=4 150 B4R0.2 CCOC=O OR28814 [2,0,0,0,0,0|0,0,0]=2 151 B4R0.2 C\C=C\CCl OR51978 [2,0,0,0,0,0|1,0,1]=4 152 B6R0.2 CC(=O)CC(C)C OR61047 [1,1,0,0,0,0|1,0,1]=4 153 B6R0.2 CC(C)CC(=O)O OR2260 [1,1,0,0,0,0|2,0,0]=4 154 B6R0.2 CC(C)CC(N)=O OR22499 [1,1,0,0,0,0|2,0,0]=4 155 B6R0.2 CC(Cl)OC(=O)Cl OR16433 [1,1,0,0,0,0|1,0,0]=3 156 B6R0.3 CCC(N)C(=O)O OR9986 [1,1,0,0,0,0|2,0,0]=4 157 B6R0.3 CC[C@@H](N)C(=O)O OR9988 [1,1,0,0,0,0|2,0,0]=4 158 B6R0.3 CC[C@H](C)C(=O)O OR315294 [1,1,0,0,0,0|2,0,0]=4 159 B6R0.3 CC[C@H](Cl)C(=O)O OR54621 [1,1,0,0,0,0|2,0,0]=4 160 B6R0.3 CC[C@H](N)C(=O)O OR01636 [1,1,0,0,0,0|2,0,0]=4 161 B6R0.3 CC[C@H](N)C(N)=O OR46608 [1,1,0,0,0,0|2,0,0]=4 162 B6R0.4 CC(=O)CCCCl OR10086 [1,1,0,0,0,0|1,0,1]=4 163 B6R0.4 CC(=O)NCCCl OR55006 [1,1,0,0,0,0|1,0,1]=4 164 B6R0.4 CCC#CC(=O)O OR70066 [1,1,0,0,0,0|2,0,0]=4 165 B6R0.4 CCC=CC(=O)O OR6566 [1,1,0,0,0,0|2,0,0]=4 166 B6R0.4 CCCCC(C)=O OR10020 [1,1,0,0,0,0|1,0,1]=4 167 B6R0.4 CCCOC(C)=O OR5312 [1,1,0,0,0,0|0,0,1]=3 168 B6R0.4 CCOCC(=O)O OR6531 [1,1,0,0,0,0|1,0,0]=3 169 B6R0.4 CNCCC(=O)O OR301194 [1,1,0,0,0,0|2,0,0]=4 170 B6R0.4 CNCCC(N)=O OR17506 [1,1,0,0,0,0|2,0,0]=4 171 B6R0.4 NC(=O)NCCO OR17003 [1,1,0,0,0,0|2,0,0]=4 172 B6R0.4 NCCCC(=O)O OR01972 [1,1,0,0,0,0|2,0,0]=4 173 B6R0.4 O=C(Cl)CCCCl OR5355 [1,1,0,0,0,0|2,0,0]=4 174 B6R0.4 O=C(O)CCCBr OR4284 [1,1,0,0,0,0|2,0,0]=4 175 B6R0.6 C=CCCCCBr OR7533 [1,1,0,0,0,0|1,0,1]=4 176 B6R0.6 C=CCCCCC OR01828 [1,1,0,0,0,0|1,0,1]=4 177 B6R0.6 C=CCCCCCl OR53170 [1,1,0,0,0,0|1,0,1]=4 178 B6R0.6 C=CCCCCO OR14506 [1,1,0,0,0,0|1,0,1]=4 179 B6R0.6 CCC\C=C\C=O OR6052 [1,1,0,0,0,0|1,0,0]=3 180 B6R0.6 CCOC=CC#N OR46505 [1,1,0,0,0,0|0,0,1]=3 181 B6R0.6 C\C=C\C=C\C=O OR6049 [1,1,0,0,0,0|1,0,1]=4 182 B6R0.6 C\C=C\C=C\CO OR13712 [1,1,0,0,0,0|2,0,0]=4 183 B6R0.9 C=CC(OC)OC OR52642 [1,1,0,0,0,0|0,0,2]=4 184 B8R0.5 CC(C)OC(=O)CC#N OR28722 [0,2,0,0,0,0|0,0,2]=4 185 B8R0.5 CCC\C(C)=C\C(=O)O OR70168 [0,2,0,0,0,0|2,0,0]=4 186 B8R0.5 CCOC(=O)C=C(C)C OR54610 [0,2,0,0,0,0|0,0,0]=2 187 B8R0.5 CCOC(=O)CC(=O)Cl OR5235 [0,2,0,0,0,0|0,0,1]=3 188 B8R0.5 CCOC(=O)CC(=O)O OR54513 [0,2,0,0,0,0|0,0,1]=3 189 B8R0.5 CCOC(=O)CC(=O)[O-] OR16162 [0,2,0,0,0,0|0,0,1]=3 190 B8R0.5 CCOC(=O)CC(N)=O OR59898 [0,2,0,0,0,0|0,0,1]=3 191 B8R0.5 CCOC(=O)C[C@H](C)O OR304080 [0,2,0,0,0,0|0,0,2]=4 192 B8R0.5 CCOC(=O)C[N+](=O)[O-] OR8354 [0,2,0,0,0,0|1,0,1]=4 193 B8R0.5 CCOC(=O)C[S+](C)C OR5509 [0,2,0,0,0,0|0,0,2]=4 194 B8R0.19 C=CC(=O)OC(=O)C=C OR52527 [0,2,0,0,0,0|0,0,2]=4 195 B8R0.19 CCC(=O)OC(=O)CC OR5320 [0,2,0,0,0,0|0,0,2]=4 196 B8R0.23 CC(C)OC(=O)[C@@H](C)N OR52564 [0,2,0,0,0,0|0,0,2]=4 197 B8R0.23 CC(C)OC(=O)[C@H](C)N OR61429 [0,2,0,0,0,0|0,0,2]=4 198 B8R0.24 C=CC(=O)OC(C)(C)C OR61301 [0,2,0,0,0,0|0,0,0]=2 199 B8R0.24 CC(C)(C)OC(=O)CBr OR1584 [0,2,0,0,0,0|1,0,1]=4 200 B8R0.24 CC(C)(C)OC(=O)CN OR315773 [0,2,0,0,0,0|1,0,1]=4 201 B8R0.24 CC(C)(C)OC(=O)CN OR61270 [0,2,0,0,0,0|1,0,1]=4 202 B8R0.24 CC(C)(C)OC(=O)CO OR932881 [0,2,0,0,0,0|1,0,1]=4 203 B8R0.24 CC(C)(C)OC(=O)NN OR322134 [0,2,0,0,0,0|2,0,0]=4 204 B8R0.24 CC(C)(C)OC(=O)NO OR322101 [0,2,0,0,0,0|2,0,0]=4 205 B8R0.24 CNC(=O)OC(C)(C)C OR61100 [0,2,0,0,0,0|1,0,1]=4 206 B8R0.1 CCOC(=O)CCCBr OR14983 [0,2,0,0,0,0|0,0,2]=4 207 B8R0.1 CCOC(=O)CN=C=O OR30501 [0,2,0,0,0,0|0,0,2]=4 208 B8R0.1 CC\C=C\C(=O)OCC OR16435 [0,2,0,0,0,0|0,0,0]=2 209 B8R0.3 C=C(CBr)C(=O)OCC OR17520 [0,2,0,0,0,0|0,0,0]=2 210 B8R0.3 CCOC(=O)C(=O)CBr OR015293 [0,2,0,0,0,0|0,0,1]=3 211 B8R0.3 CCOC(=O)C(Br)CC OR15008 [0,2,0,0,0,0|0,0,2]=4 212 B8R0.3 CCOC(=O)C(Cl)C=O OR300519 [0,2,0,0,0,0|0,0,1]=3 213 B8R0.3 CCOC(=O)C(N)CO OR26790 [0,2,0,0,0,0|0,0,2]=4 214 B8R0.3 CCOC(=O)C(O)CC OR937766 [0,2,0,0,0,0|0,0,2]=4 215 B8R0.3 CCOC(=O)[C@@H](N)CS OR26791 [0,2,0,0,0,0|0,0,2]=4 216 B8R0.3 CCOC(=O)\C(Cl)=N\O OR14997 [0,2,0,0,0,0|1,0,0]=3 217 B8R0.6 C=CC(=O)OCCC#N OR52542 [0,2,0,0,0,0|0,0,0]=2 218 B8R0.6 CCCCOC(=O)CCl OR25298 [0,2,0,0,0,0|1,0,1]=4 219 B8R0.8 C=C(C)C(=O)NCCO OR17009 [0,2,0,0,0,0|1,0,0]=3 220 B8R0.8 C=C(C)C(=O)OCCN OR61529 [0,2,0,0,0,0|0,0,0]=2 221 B8R0.14 CCOC(=O)C(C)(C)O OR46219 [0,2,0,0,0,0|0,0,2]=4 222 B8R0.22 C=CC(OCC)OCC OR40659 [0,2,0,0,0,0|0,0,2]=4 223 B6R1.2 BrC1=CCCC1 OR59361 [1,0,0,1,0,0|2,0,0]=4 224 B6R1.2 CC1=NCCO1 OR52090 [1,0,0,1,0,0|1,0,1]=4 225 B6R1.2 O=C1C=CCC1 OR9084 [1,0,0,1,0,0|1,0,1]=4 226 B6R1.2 O=C1C=CCO1 OR2878 [1,0,0,1,0,0|0,0,1]=3 227 B6R1.2 O=C1CCCC1 OR10095 [1,0,0,1,0,0|1,0,1]=4 228 B6R1.2 S=C1NCCO1 OR28382 [1,0,0,1,0,0|1,1,0]=4 229 B6R1.11 CC(=O)C1CC1 OR10100 [1,0,0,1,0,0|1,0,1]=4 230 B6R1.11 NC(=O)C1CC1 OR18286 [1,0,0,1,0,0|2,0,0]=4 231 B6R1.11 O=C(Cl)C1CC1 OR17255 [1,0,0,1,0,0|2,0,0]=4 232 B6R1.11 O=C(O)C1CC1 OR5295 [1,0,0,1,0,0|2,0,0]=4 233 B6R1.1 C1=CCCC=C1 OR42119 [1,0,0,1,0,0|1,0,0]=3 234 B6R1.1 C1=CCNCC1 OR9035 [1,0,0,1,0,0|1,0,1]=4 235 B6R1.1 C1=COCCC1 OR183406 [1,0,0,1,0,0|0,0,1]=3 236 B8R1.1 CC1=CC=C(C=O)O1 OR41166 [0,1,0,1,0,0|0,0,1]=3 237 B8R1.1 CC1=CC=C(C=O)S1 OR5055 [0,1,0,1,0,0|0,1,1]=4 238 B8R1.1 CC1=CC=C(CO)O1 OR3029 [0,1,0,1,0,0|0,0,2]=4 239 B8R1.1 CN1C=CC(C=O)=N1 OR30991 [0,1,0,1,0,0|2,0,0]=4 240 B8R1.1 O=C1CC[C@@H](CO)O1 OR42217 [0,1,0,1,0,0|0,0,2]=4 241 B8R1.1 O=CC1=CC=C(Br)O1 OR30421 [0,1,0,1,0,0|1,0,1]=4 242 B8R1.1 O=CC1=CC=C(I)O1 OR8105 [0,1,0,1,0,0|1,0,1]=4 243 B8R1.1 OCC1=CC=C(Br)O1 OR303292 [0,1,0,1,0,0|1,0,1]=4 244 B8R1.4 NC1=CC(=O)CCC1 OR4645 [0,1,0,1,0,0|1,0,0]=3 245 B8R1.4 O=C1CCCC(=O)C1 OR28703 [0,1,0,1,0,0|1,0,1]=4 246 B8R1.4 O=C1CCNC(=O)C1 OR48245 [0,1,0,1,0,0|1,0,1]=4 247 B8R1.18 CC1=CC(=O)OC1=O OR5508 [0,1,0,1,0,0|1,0,1]=4 248 B8R1.18 O=C1C=C(Cl)C(=O)O1 OR30483 [0,1,0,1,0,0|1,0,1]=4 249 B8R1.51 CC1(C)CCC(=O)O1 OR313007 [0,1,0,1,0,0|0,0,2]=4 250 B8R1.2 O=CC1=COCCC1 OR3126 [0,1,0,1,0,0|2,0,0]=4 251 B8R1.3 CC1=NNC(=O)C=C1 OR21483 [0,1,0,1,0,0|1,0,1]=4 252 B8R1.3 CC1=NNC(=O)C=C1 OR52459 [0,1,0,1,0,0|1,0,1]=4 253 B8R1.5 O=C1CCCCC1=O OR0317 [0,1,0,1,0,0|1,0,1]=4 254 B8R1.50 CC1=C(C)C(=O)NC1 OR21805 [0,1,0,1,0,0|1,0,1]=4 255 B8R1.50 CC1CCC(=O)C1=O OR28640 [0,1,0,1,0,0|2,0,0]=4 256 B8R1.50 O=C1OC[C@@H](O)[C@H]1O OR55152 [0,1,0,1,0,0|1,0,1]=4 257 B8R1.37 CCOC(=O)C1CC1 OR5300 [0,1,0,1,0,0|0,0,2]=4 258 B8R1.8 CCCC1=CC=CO1 OR3221 [0,1,0,1,0,0|1,0,1]=4 259 B8R1.8 CCCC1=NC=CS1 OR8147 [0,1,0,1,0,0|1,1,0]=4 260 B8R1.11 CCN1N=CC=C1N OR61338 [0,1,0,1,0,0|2,0,0]=4