0 B5R0.5 C=C(C)C(=O)O OR54367 [0,0,0,0,0,0|1,0,1]=2 1 B5R0.5 C=C(C)C(C)C OR46606 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.5 CC(=O)C(=O)O OR315034 [0,0,0,0,0,0|0,0,2]=2 3 B5R0.5 CC(=O)C(C)=O OR5248 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.5 CC(=O)C(C)Br OR1466 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.5 CC(=O)C(C)C OR5350 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.5 CC(Br)C(=O)Cl OR40726 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.5 CC(Br)C(N)=O OR24705 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.5 CC(C)=C(C)C OR18350 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.5 CC(C)B(O)O OR8880 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.5 CC(C)C(=N)N OR27276 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.5 CC(C)C(=O)Cl OR10005 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.5 CC(C)C(C)C OR53144 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.5 CC(C)C(C)O OR10026 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.5 CN(C)C(=O)Cl OR51817 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.5 CN(C)C(=S)Cl OR28875 [0,0,0,0,0,0|3,1,0]=4 16 B5R0.5 CN(C)C(=S)[S-] OR9121 [0,0,0,0,0,0|2,2,0]=4 17 B5R0.5 CN(C)C(N)=O OR48247 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.5 C[C@@H](Cl)C(=O)O OR52411 [0,0,0,0,0,0|1,0,0]=1 19 B5R0.5 C[C@@H](O)C(=O)O OR960721 [0,0,0,0,0,0|0,0,0]=0 20 B5R0.5 C[C@@H](O)C(N)=O OR18079 [0,0,0,0,0,0|1,0,0]=1 21 B5R0.5 C[C@@H](O)[C@@H](C)O OR15918 [0,0,0,0,0,0|1,0,1]=2 22 B5R0.5 C[C@H](Cl)C(=O)O OR28944 [0,0,0,0,0,0|1,0,0]=1 23 B5R0.5 C[C@H](N)C(N)=O OR22615 [0,0,0,0,0,0|2,0,0]=2 24 B5R0.5 C[C@H](O)[C@H](C)O OR15919 [0,0,0,0,0,0|1,0,1]=2 25 B5R0.5 N=C(N)S(=O)O OR4886 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.5 NC(=O)C(=O)O OR54598 [0,0,0,0,0,0|1,0,2]=3 27 B5R0.5 NC(=O)C(Cl)Cl OR14320 [0,0,0,0,0,0|3,0,0]=3 28 B5R0.5 NC(=O)C(N)=O OR16936 [0,0,0,0,0,0|2,0,2]=4 29 B5R0.5 O=C(Br)C(=O)Br OR51921 [0,0,0,0,0,0|2,0,2]=4 30 B5R0.5 O=C(Cl)C(=O)Cl OR1957 [0,0,0,0,0,0|2,0,2]=4 31 B5R0.5 O=C(Cl)C(Cl)Cl OR5297 [0,0,0,0,0,0|3,0,0]=3 32 B5R0.5 OB(O)B(O)O OR60243 [0,0,0,0,0,0|3,0,1]=4 33 B5R0.5 [C@H](C)(N)C(N)=O OR22614 [0,0,0,0,0,0|2,0,0]=2 34 B4R0.1 C#CC(=O)O OR30972 [1,0,0,0,0,0|0,0,2]=3 35 B4R0.1 C#CC(C)=O OR7548 [1,0,0,0,0,0|1,0,2]=4 36 B4R0.1 C#CC(C)O OR01834 [1,0,0,0,0,0|1,0,1]=3 37 B4R0.1 C#C[C@@H](C)O OR16943 [1,0,0,0,0,0|1,0,1]=3 38 B4R0.1 C#C[C@H](C)O OR40593 [1,0,0,0,0,0|1,0,1]=3 39 B4R0.1 C=C(C)CBr OR17610 [1,0,0,0,0,0|3,0,0]=4 40 B4R0.1 C=C(C)CC OR14507 [1,0,0,0,0,0|2,0,0]=3 41 B4R0.1 C=C(C)CCl OR16423 [1,0,0,0,0,0|3,0,0]=4 42 B4R0.1 C=C(C)CN OR10897 [1,0,0,0,0,0|3,0,0]=4 43 B4R0.1 C=C(C)CN OR59958 [1,0,0,0,0,0|3,0,0]=4 44 B4R0.1 C=C(C)CO OR16426 [1,0,0,0,0,0|2,0,0]=3 45 B4R0.1 C=C(C)OC OR17619 [1,0,0,0,0,0|3,0,0]=4 46 B4R0.1 C=C(Cl)CCl OR5736 [1,0,0,0,0,0|3,0,0]=4 47 B4R0.1 C=C(Cl)CO OR9536 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.1 C=CC(C)C OR460043 [1,0,0,0,0,0|2,0,0]=3 49 B4R0.1 C=CC(C)Cl OR55516 [1,0,0,0,0,0|2,0,0]=3 50 B4R0.1 CC(=O)C=O OR53061 [1,0,0,0,0,0|0,0,2]=3 51 B4R0.1 CC(=O)C=O OR5752 [1,0,0,0,0,0|0,0,2]=3 52 B4R0.1 CC(=O)CO OR17702 [1,0,0,0,0,0|1,0,0]=2 53 B4R0.1 CC(=O)NO OR6375T [1,0,0,0,0,0|2,0,0]=3 54 B4R0.1 CC(C)=CCl OR16424 [1,0,0,0,0,0|2,0,1]=4 55 B4R0.1 CC(C)C=O OR322092 [1,0,0,0,0,0|1,0,0]=2 56 B4R0.1 CC(C)CI OR2195 [1,0,0,0,0,0|2,0,1]=4 57 B4R0.1 CC(C)NN OR7919 [1,0,0,0,0,0|3,0,0]=4 58 B4R0.1 CC(C)NO OR59437 [1,0,0,0,0,0|2,0,0]=3 59 B4R0.1 CC(C)ON OR933332 [1,0,0,0,0,0|3,0,0]=4 60 B4R0.1 CC(C)[Mg]Br OR320105 [1,0,0,0,0,0|3,0,0]=4 61 B4R0.1 CC(C)[Mg]Br OR320106 [1,0,0,0,0,0|3,0,0]=4 62 B4R0.1 CC(C)[Mg]Cl OR320107 [1,0,0,0,0,0|3,0,0]=4 63 B4R0.1 CCB(O)O OR8874 [1,0,0,0,0,0|1,0,1]=3 64 B4R0.1 CCC(=N)N OR200136 [1,0,0,0,0,0|2,0,0]=3 65 B4R0.1 CCC(=O)[O-] OR70110 [1,0,0,0,0,0|0,0,1]=2 66 B4R0.1 CCC(C)Br OR4335 [1,0,0,0,0,0|2,0,1]=4 67 B4R0.1 CCC(C)Cl OR460003 [1,0,0,0,0,0|2,0,1]=4 68 B4R0.1 CCC(C)I OR5340 [1,0,0,0,0,0|2,0,1]=4 69 B4R0.1 CC[C@@H](C)N OR59999 [1,0,0,0,0,0|2,0,1]=4 70 B4R0.1 CC[C@@H](C)O OR304038 [1,0,0,0,0,0|1,0,1]=3 71 B4R0.1 CC[C@H](C)N OR60000 [1,0,0,0,0,0|2,0,1]=4 72 B4R0.1 CC[C@H](C)O OR4619 [1,0,0,0,0,0|1,0,1]=3 73 B4R0.1 COC(N)=O OR46510 [1,0,0,0,0,0|2,0,0]=3 74 B4R0.1 CSC(=N)N OR25052 [1,0,0,0,0,0|3,0,0]=4 75 B4R0.1 C[C@@H](N)CO OR0903 [1,0,0,0,0,0|1,0,1]=3 76 B4R0.1 C[C@@H](O)CN OR304058 [1,0,0,0,0,0|1,0,1]=3 77 B4R0.1 C[C@H](N)CO OR5875 [1,0,0,0,0,0|1,0,1]=3 78 B4R0.1 C[C@H](O)CN OR30797 [1,0,0,0,0,0|1,0,1]=3 79 B4R0.1 C\C(Cl)=C/Cl OR460035 [1,0,0,0,0,0|2,0,1]=4 80 B4R0.1 C\C(N)=N\O OR30585 [1,0,0,0,0,0|2,0,1]=4 81 B4R0.1 N=C(N)CCl OR3921 [1,0,0,0,0,0|3,0,0]=4 82 B4R0.1 NC(=O)CBr OR6592 [1,0,0,0,0,0|2,0,0]=3 83 B4R0.1 NC(=O)CCl OR12801 [1,0,0,0,0,0|2,0,0]=3 84 B4R0.1 NC(=O)CI OR59962 [1,0,0,0,0,0|2,0,0]=3 85 B4R0.1 NC(=O)CO OR21888 [1,0,0,0,0,0|1,0,0]=2 86 B4R0.1 NC(=O)CS OR24255 [1,0,0,0,0,0|1,1,0]=3 87 B4R0.1 NC(=O)NO OR9108 [1,0,0,0,0,0|2,0,0]=3 88 B4R0.1 O=C(Cl)CBr OR54475 [1,0,0,0,0,0|2,0,0]=3 89 B4R0.1 O=C(O)CBr OR6366 [1,0,0,0,0,0|1,0,0]=2 90 B4R0.1 O=C(O)CI OR322006 [1,0,0,0,0,0|1,0,0]=2 91 B4R0.1 O=C(O)CO OR13191 [1,0,0,0,0,0|0,0,0]=1 92 B4R0.1 O=C([O-])CS OR30627 [1,0,0,0,0,0|0,1,1]=3 93 B4R0.1 O=CC(=O)O OR52099 [1,0,0,0,0,0|0,0,2]=3 94 B4R0.1 O=S([O-])CO OR922468 [1,0,0,0,0,0|1,0,1]=3 95 B4R0.1 O=[N+]([O-])CBr OR3067 [1,0,0,0,0,0|2,0,1]=4 96 B4R0.1 ON=C(Br)Br OR322187 [1,0,0,0,0,0|3,0,0]=4 97 B6R0.3 CC(=O)C(=O)CBr OR46042 [0,1,0,0,0,0|1,0,2]=4 98 B6R0.3 CC(C)C(=N)NO OR40109 [0,1,0,0,0,0|2,0,0]=3 99 B6R0.3 CC(C)C(=O)CBr OR346253 [0,1,0,0,0,0|2,0,0]=3 100 B6R0.3 CC(C)C(N)CO OR17684 [0,1,0,0,0,0|2,0,1]=4 101 B6R0.3 CC(C)[C@@H](N)CO OR5885 [0,1,0,0,0,0|2,0,1]=4 102 B6R0.3 CC(C)[C@H](N)CO OR5874 [0,1,0,0,0,0|2,0,1]=4 103 B6R0.3 CC=C(C)C(C)=O OR0641 [0,1,0,0,0,0|2,0,1]=4 104 B6R0.3 CCC(N)C(=O)O OR9986 [0,1,0,0,0,0|1,0,0]=2 105 B6R0.3 CC[C@@H](N)C(=O)O OR9988 [0,1,0,0,0,0|1,0,0]=2 106 B6R0.3 CC[C@H](C)C(=O)O OR315294 [0,1,0,0,0,0|1,0,0]=2 107 B6R0.3 CC[C@H](Cl)C(=O)O OR54621 [0,1,0,0,0,0|1,0,0]=2 108 B6R0.3 CC[C@H](N)C(=O)O OR01636 [0,1,0,0,0,0|1,0,0]=2 109 B6R0.3 CC[C@H](N)C(N)=O OR46608 [0,1,0,0,0,0|2,0,0]=3 110 B6R0.3 CN(C)C(=O)CBr OR55573 [0,1,0,0,0,0|3,0,0]=4 111 B6R0.3 CN(C)C(=O)CN OR12015 [0,1,0,0,0,0|3,0,0]=4 112 B6R0.3 CN(C)C(=O)CN OR952034 [0,1,0,0,0,0|3,0,0]=4 113 B6R0.3 CNC(=O)C(=O)O OR016302 [0,1,0,0,0,0|0,0,2]=3 114 B6R0.3 CNC(C)C(=O)O OR930477 [0,1,0,0,0,0|1,0,0]=2 115 B6R0.3 CN[C@@H](C)C(=O)O OR61451 [0,1,0,0,0,0|1,0,0]=2 116 B6R0.3 COC(=O)C(=O)[O-] OR303344 [0,1,0,0,0,0|0,0,3]=4 117 B6R0.3 COC(=O)C(C)Cl OR5107 [0,1,0,0,0,0|1,0,0]=2 118 B6R0.3 COC(=O)C(C)N OR5299 [0,1,0,0,0,0|1,0,0]=2 119 B6R0.3 COC(=O)[C@@H](C)N OR22616 [0,1,0,0,0,0|1,0,0]=2 120 B6R0.3 COC(=O)[C@H](C)Cl OR322164 [0,1,0,0,0,0|1,0,0]=2 121 B6R0.3 CON(C)C(C)=O OR46610 [0,1,0,0,0,0|2,0,0]=3 122 B6R0.3 C\C=C(/C)C(=O)Cl OR55081 [0,1,0,0,0,0|2,0,1]=4 123 B6R0.3 C\C=C(\C)C(=O)O OR28647 [0,1,0,0,0,0|1,0,1]=3 124 B6R0.3 N#CC(N)C(N)=O OR13271 [0,1,0,0,0,0|2,0,1]=4 125 B6R0.3 NCC(N)C(=O)O OR42215 [0,1,0,0,0,0|1,0,0]=2 126 B6R0.3 NCC(N)C(=O)O OR5494 [0,1,0,0,0,0|1,0,0]=2 127 B6R0.3 NCC(O)C(=O)O OR322969 [0,1,0,0,0,0|0,0,0]=1 128 B6R0.3 N[C@@H](CS)C(=O)O OR0325 [0,1,0,0,0,0|1,0,0]=2 129 B6R0.3 O=C(O)C(=O)CBr OR10838 [0,1,0,0,0,0|0,0,2]=3 130 B6R0.3 O=C(O)C(=O)CBr OR8799 [0,1,0,0,0,0|0,0,2]=3 131 B6R0.3 O=C(O)C(Br)CBr OR4887 [0,1,0,0,0,0|1,0,0]=2 132 B6R0.7 CC(=O)C(C)(C)Br OR938435 [0,1,0,0,0,0|2,0,0]=3 133 B6R0.7 CC(=O)C(C)(C)C OR28613 [0,1,0,0,0,0|2,0,0]=3 134 B6R0.7 CC(=O)C(Cl)(Cl)Cl OR16079 [0,1,0,0,0,0|3,0,0]=4 135 B6R0.7 CC(C)(Br)C(N)=O OR59336 [0,1,0,0,0,0|2,0,0]=3 136 B6R0.7 CC(C)(C)C(=N)N OR27177 [0,1,0,0,0,0|3,0,0]=4 137 B6R0.7 CC(C)(C)C(=O)[O-] OR961732 [0,1,0,0,0,0|1,0,1]=3 138 B6R0.7 CC(C)(C)S(N)=O OR301075 [0,1,0,0,0,0|3,0,0]=4 139 B6R0.7 CC(C)(C)[S@@](N)=O OR3234 [0,1,0,0,0,0|3,0,0]=4 140 B6R0.7 CC(C)(C)[S@](N)=O OR3233 [0,1,0,0,0,0|3,0,0]=4 141 B6R0.7 CC(C)(O)C(=O)O OR4840 [0,1,0,0,0,0|0,0,0]=1 142 B6R0.7 CC(C)S(=O)(=O)Cl OR9002 [0,1,0,0,0,0|2,0,1]=4 143 B6R0.7 CC(C)S(N)(=O)=O OR17829 [0,1,0,0,0,0|2,0,1]=4 144 B6R0.7 C[C@H](N)C(C)(C)O OR61388 [0,1,0,0,0,0|2,0,1]=4 145 B6R0.7 C[C@H](N)P(=O)(O)O OR315335 [0,1,0,0,0,0|2,0,0]=3 146 B6R0.7 NC(=O)C(Cl)(Cl)Cl OR61119 [0,1,0,0,0,0|3,0,0]=4 147 B6R0.7 O=C(O)C(Cl)(Cl)Cl OR8372 [0,1,0,0,0,0|2,0,0]=3 148 B6R1.11 CC(=O)C1CC1 OR10100 [0,0,0,1,0,0|2,0,0]=3 149 B6R1.11 CC(=O)C1CO1 OR01831 [0,0,0,1,0,0|1,0,0]=2 150 B6R1.11 CC(O)C1CC1 OR54516 [0,0,0,1,0,0|2,0,1]=4 151 B6R1.11 N=C(N)C1CC1 OR27201 [0,0,0,1,0,0|3,0,0]=4 152 B6R1.11 NC(=O)C1CC1 OR18286 [0,0,0,1,0,0|2,0,0]=3 153 B6R1.11 O=C(Cl)C1CC1 OR17255 [0,0,0,1,0,0|2,0,0]=3 154 B6R1.11 O=C(O)C1CC1 OR5295 [0,0,0,1,0,0|1,0,0]=2 155 B6R1.11 OB(O)C1CC1 OR6228 [0,0,0,1,0,0|2,0,1]=4 156 B6R0.2 CC(=O)C=C(C)N OR1506 [0,0,0,0,0,1|2,0,1]=4 157 B6R0.2 CC(=O)CC(C)=O OR16430 [0,0,0,0,0,1|1,0,2]=4 158 B6R0.2 CC(=O)CC(C)C OR61047 [0,0,0,0,0,1|2,0,0]=3 159 B6R0.2 CC(=O)\C=C(\C)[O-] OR15745 [0,0,0,0,0,1|1,0,2]=4 160 B6R0.2 CC(C)=CC(=O)Cl OR29360 [0,0,0,0,0,1|2,0,1]=4 161 B6R0.2 CC(C)=CC(=O)O OR46069 [0,0,0,0,0,1|1,0,1]=3 162 B6R0.2 CC(C)CB(O)O OR14160 [0,0,0,0,0,1|2,0,1]=4 163 B6R0.2 CC(C)CC(=O)O OR2260 [0,0,0,0,0,1|1,0,0]=2 164 B6R0.2 CC(C)CC(N)=O OR22499 [0,0,0,0,0,1|2,0,0]=3 165 B6R0.2 CC(Cl)OC(=O)Cl OR16433 [0,0,0,0,0,1|2,0,0]=3 166 B6R0.2 CC(O)CC(C)O OR10041 [0,0,0,0,0,1|1,0,1]=3 167 B6R0.2 CN(C)CC(=O)O OR45130 [0,0,0,0,0,1|2,0,0]=3 168 B6R0.2 O=C(O)CC(=O)O OR0786 [0,0,0,0,0,1|1,0,1]=3 169 B3R0.1 C#CCC OR19587 [2,0,0,0,0,0|1,0,1]=4 170 B3R0.1 C=CCBr OR16937 [2,0,0,0,0,0|2,0,0]=4 171 B3R0.1 C=CCC OR8591 [2,0,0,0,0,0|1,0,0]=3 172 B3R0.1 C=CCCl OR3848 [2,0,0,0,0,0|2,0,0]=4 173 B3R0.1 C=CCI OR460034 [2,0,0,0,0,0|2,0,0]=4 174 B3R0.1 CC=CC OR61316 [2,0,0,0,0,0|1,0,1]=4 175 B3R0.1 CC=CCl OR40493 [2,0,0,0,0,0|1,0,1]=4 176 B3R0.1 CCC=O OR17251 [2,0,0,0,0,0|0,0,0]=2 177 B3R0.1 CCCC OR8385 [2,0,0,0,0,0|1,0,1]=4 178 B3R0.1 CCCCl OR460042 [2,0,0,0,0,0|1,0,1]=4 179 B3R0.1 CCCI OR4541 [2,0,0,0,0,0|1,0,1]=4 180 B3R0.1 CCCN OR15743 [2,0,0,0,0,0|1,0,1]=4 181 B3R0.1 CCNC OR30626 [2,0,0,0,0,0|2,0,0]=4 182 B3R0.1 CCNN OR939620 [2,0,0,0,0,0|2,0,0]=4 183 B3R0.1 CC[Mg]Br OR320091 [2,0,0,0,0,0|2,0,0]=4 184 B3R0.1 CC[Mg]Br OR320094 [2,0,0,0,0,0|2,0,0]=4 185 B3R0.1 C\C=C/Cl OR4546 [2,0,0,0,0,0|1,0,1]=4 186 B3R0.1 C\C=C\C OR4472 [2,0,0,0,0,0|1,0,1]=4 187 B3R0.1 C\C=C\Cl OR6595 [2,0,0,0,0,0|1,0,1]=4 188 B3R0.1 N\C=N\O OR12756 [2,0,0,0,0,0|2,0,0]=4 189 B3R0.1 OCCBr OR30640 [2,0,0,0,0,0|1,0,1]=4 190 B3R0.2 C=C(C)Br OR55140 [2,0,0,0,0,0|1,0,1]=4 191 B3R0.2 C=C(C)C OR40492 [2,0,0,0,0,0|1,0,1]=4 192 B3R0.2 C=C(C)Cl OR1897 [2,0,0,0,0,0|1,0,1]=4 193 B3R0.2 CB(O)O OR3322 [2,0,0,0,0,0|1,0,0]=3 194 B3R0.2 CC(=N)N OR30204 [2,0,0,0,0,0|2,0,0]=4 195 B3R0.2 CC(=O)Br OR1943 [2,0,0,0,0,0|1,0,0]=3 196 B3R0.2 CC(=O)O OR28877 [2,0,0,0,0,0|0,0,0]=2 197 B3R0.2 CC(=O)O OR40340 [2,0,0,0,0,0|0,0,0]=2 198 B3R0.2 CC(=O)[O-] OR11032 [2,0,0,0,0,0|0,0,1]=3 199 B3R0.2 CC(=O)[S-] OR59966 [2,0,0,0,0,0|0,1,0]=3 200 B3R0.2 CC(C)I OR4540 [2,0,0,0,0,0|1,0,1]=4 201 B3R0.2 CC(C)N OR61315 [2,0,0,0,0,0|1,0,1]=4 202 B3R0.2 CC(Cl)Cl OR3712 [2,0,0,0,0,0|2,0,0]=4 203 B3R0.2 CC(N)=O OR16407 [2,0,0,0,0,0|1,0,0]=3 204 B3R0.2 CC(N)=S OR28604 [2,0,0,0,0,0|1,1,0]=4 205 B3R0.2 CS(=O)[O-] OR42101 [2,0,0,0,0,0|1,0,1]=4 206 B3R0.2 CS(C)=O OR61029 [2,0,0,0,0,0|2,0,0]=4 207 B3R0.2 C[13C](=O)O OR60238 [2,0,0,0,0,0|0,0,0]=2 208 B3R0.2 NC(N)=O OR59884 [2,0,0,0,0,0|2,0,0]=4 209 B5R0.1 C=CC[C@H](C)O OR304051 [1,1,0,0,0,0|1,0,0]=3 210 B5R0.1 CC#CC(=O)O OR315221 [1,1,0,0,0,0|0,0,1]=3 211 B5R0.1 CC(=O)NCO OR61255 [1,1,0,0,0,0|1,0,0]=3 212 B5R0.1 CC(C)CCO OR460021 [1,1,0,0,0,0|1,0,1]=4 213 B5R0.1 CC(O)CC#N OR2847 [1,1,0,0,0,0|1,0,1]=4 214 B5R0.1 CCCB(O)O OR8415 [1,1,0,0,0,0|1,0,1]=4 215 B5R0.1 CCCC(=O)O OR6005 [1,1,0,0,0,0|0,0,0]=2 216 B5R0.1 CCCC(=O)[O-] OR8783 [1,1,0,0,0,0|0,0,1]=3 217 B5R0.1 CCNC(N)=O OR42229 [1,1,0,0,0,0|1,0,0]=3 218 B5R0.1 CCOC(=S)[S-] OR59885 [1,1,0,0,0,0|0,2,0]=4 219 B5R0.1 COCC(=O)Cl OR40393 [1,1,0,0,0,0|1,0,0]=3 220 B5R0.1 CSCC(=O)O OR4573 [1,1,0,0,0,0|0,0,0]=2 221 B5R0.1 C[C@@H](O)CCO OR2223 [1,1,0,0,0,0|0,0,1]=3 222 B5R0.1 NC(=O)CCBr OR322315 [1,1,0,0,0,0|1,0,0]=3 223 B5R0.1 NC(=O)CCCl OR26786 [1,1,0,0,0,0|1,0,0]=3 224 B5R0.1 NCCC(=O)O OR5225 [1,1,0,0,0,0|0,0,0]=2 225 B5R0.1 O=C(Cl)CCCl OR11057 [1,1,0,0,0,0|1,0,0]=3 226 B5R0.1 O=C(O)CCBr OR8993 [1,1,0,0,0,0|0,0,0]=2 227 B5R0.1 O=C(O)CCO OR59874 [1,1,0,0,0,0|0,0,0]=2 228 B5R0.1 O=C(O)CCO OR70031 [1,1,0,0,0,0|0,0,0]=2 229 B5R0.1 O=C(O)\C=C\Cl OR2048 [1,1,0,0,0,0|0,0,2]=4 230 B5R0.3 C#CC(=O)OC OR0649 [1,1,0,0,0,0|0,0,2]=4 231 B5R0.3 C=C(CO)CO OR54371 [1,1,0,0,0,0|1,0,0]=3 232 B5R0.3 C=CC(=O)CC OR70148 [1,1,0,0,0,0|1,0,0]=3 233 B5R0.3 C=CC(=O)OC OR322452 [1,1,0,0,0,0|0,0,2]=4 234 B5R0.3 CC(C=O)=CN OR2402 [1,1,0,0,0,0|1,0,1]=4 235 B5R0.3 CCC(=O)CBr OR1465 [1,1,0,0,0,0|1,0,0]=3 236 B5R0.3 CCC(C)OC OR14508 [1,1,0,0,0,0|1,0,1]=4 237 B5R0.3 CCC(N)CO OR16670 [1,1,0,0,0,0|1,0,1]=4 238 B5R0.3 CCC(O)CC OR10042 [1,1,0,0,0,0|1,0,1]=4 239 B5R0.3 CCC(O)CN OR1554 [1,1,0,0,0,0|1,0,1]=4 240 B5R0.3 CC[C@@H](N)CO OR5871 [1,1,0,0,0,0|1,0,1]=4 241 B5R0.3 CC[C@@H](O)CO OR52088 [1,1,0,0,0,0|0,0,1]=3 242 B5R0.3 CC[C@H](N)CO OR5854 [1,1,0,0,0,0|1,0,1]=4 243 B5R0.3 CN[C@@H](C)CO OR55461 [1,1,0,0,0,0|1,0,1]=4 244 B5R0.3 CN[C@H](C)CO OR55460 [1,1,0,0,0,0|1,0,1]=4 245 B5R0.3 COC(=O)CN OR52169 [1,1,0,0,0,0|1,0,0]=3 246 B5R0.3 COC(=O)CO OR21875 [1,1,0,0,0,0|0,0,0]=2 247 B5R0.3 COC(=O)CS OR62074 [1,1,0,0,0,0|0,1,0]=3 248 B5R0.3 NC(CO)CO OR5368 [1,1,0,0,0,0|1,0,1]=4 249 B5R0.3 NCC(O)CN OR1859 [1,1,0,0,0,0|1,0,1]=4 250 B5R0.3 NCC(O)CO OR10134 [1,1,0,0,0,0|0,0,1]=3 251 B5R0.3 NC[C@H](O)CO OR42150 [1,1,0,0,0,0|0,0,1]=3 252 B5R0.3 O=C(CBr)CBr OR16995 [1,1,0,0,0,0|2,0,0]=4 253 B5R0.3 O=CC(Br)C=O OR9497 [1,1,0,0,0,0|1,0,1]=4 254 B5R0.3 O=CC(Cl)C=O OR17624 [1,1,0,0,0,0|1,0,1]=4 255 B5R0.3 OC(CBr)CBr OR1061 [1,1,0,0,0,0|1,0,1]=4 256 B5R0.3 OC(CCl)CCl OR61346 [1,1,0,0,0,0|1,0,1]=4 257 B5R0.3 OCC(Br)CBr OR4897 [1,1,0,0,0,0|1,0,1]=4 258 B5R0.3 OCC(O)CBr OR3095 [1,1,0,0,0,0|0,0,1]=3 259 B5R0.3 OCC(O)CS OR61438 [1,1,0,0,0,0|0,0,1]=3 260 B5R0.4 C=CC(C)(C)C OR28711 [1,1,0,0,0,0|2,0,0]=4 261 B5R0.4 CC(C)(Br)C=O OR52528 [1,1,0,0,0,0|1,0,0]=3 262 B5R0.4 CC(C)(C)C=O OR28610 [1,1,0,0,0,0|1,0,0]=3 263 B5R0.4 CC(C)(C)NO OR24575 [1,1,0,0,0,0|2,0,0]=4 264 B5R0.4 CC(C)(C)NO OR45111 [1,1,0,0,0,0|2,0,0]=4 265 B5R0.4 CC(C)(N)CO OR1740T [1,1,0,0,0,0|1,0,1]=4 266 B5R0.4 CC(C)(O)CCl OR4348 [1,1,0,0,0,0|1,0,1]=4 267 B5R0.4 CC(C)(O)CN OR301207 [1,1,0,0,0,0|1,0,1]=4 268 B5R0.4 CC(C)(O)CO OR310412 [1,1,0,0,0,0|0,0,1]=3 269 B5R0.4 CCS(N)(=O)=O OR51744 [1,1,0,0,0,0|1,0,1]=4 270 B7R0.2 CC(=O)NC(C)CN OR321289 [0,1,0,0,0,1|2,0,0]=4 271 B7R0.2 CC(C)NC(=O)CCl OR25475 [0,1,0,0,0,1|2,0,0]=4 272 B7R0.2 CC(C)NC(=O)CN OR8216 [0,1,0,0,0,1|2,0,0]=4 273 B7R0.2 CC(C)OC(=O)CBr OR55079 [0,1,0,0,0,1|2,0,0]=4 274 B7R0.2 CCC(C)CC(=O)O OR5351 [0,1,0,0,0,1|1,0,0]=3 275 B7R0.2 CCC(N)CC(=O)O OR16680 [0,1,0,0,0,1|1,0,0]=3 276 B7R0.2 CC[C@@H](N)CC(=O)O OR40585 [0,1,0,0,0,1|1,0,0]=3 277 B7R0.2 COC(=O)C=C(C)C OR7136 [0,1,0,0,0,1|1,0,1]=4 278 B7R0.2 COC(=O)CC(=O)O OR54514 [0,1,0,0,0,1|0,0,2]=4 279 B7R0.2 COC(=O)CC(C)=O OR54474 [0,1,0,0,0,1|0,0,2]=4 280 B7R0.2 COC(=O)C[C@@H](C)N OR913686 [0,1,0,0,0,1|1,0,0]=3 281 B7R0.2 COC(=O)C[C@@H](C)O OR28835 [0,1,0,0,0,1|0,0,0]=2 282 B7R0.2 COC(=O)\C=C(\C)N OR11326 [0,1,0,0,0,1|1,0,1]=4 283 B7R0.2 NCC(O)CC(=O)O OR1057 [0,1,0,0,0,1|0,0,0]=2 284 B7R0.9 CC(=O)CC(C)(C)C OR0844 [0,1,0,0,0,1|2,0,0]=4 285 B7R0.9 CC(C)(C)CC(=O)O OR0494 [0,1,0,0,0,1|1,0,0]=3 286 B7R0.9 CC(C)(C)OC(N)=O OR55005 [0,1,0,0,0,1|2,0,0]=4 287 B7R0.9 CC(C)(N)CC(=O)O OR01641 [0,1,0,0,0,1|1,0,0]=3 288 B7R0.9 CS(=O)(=O)CC(=O)O OR45106 [0,1,0,0,0,1|1,0,1]=4 289 B7R0.9 C[C@@H](O)CC(C)(C)O OR315010 [0,1,0,0,0,1|1,0,1]=4 290 B7R0.16 CC(C)[C@@H](N)C(=O)O OR5884 [0,1,0,0,0,1|1,0,0]=3 291 B7R0.16 CC(C)[C@@H](O)C(=O)O OR6367 [0,1,0,0,0,1|1,0,0]=3 292 B7R0.16 CC(C)[C@H](O)C(=O)O OR17815 [0,1,0,0,0,1|1,0,0]=3 293 B7R0.16 CN(C)C(=O)C(=O)O OR0185 [0,1,0,0,0,1|2,0,0]=4 294 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O OR316027 [0,1,0,0,0,1|0,0,0]=2 295 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O OR2477 [0,1,0,0,0,1|0,0,0]=2 296 B7R0.5 C#CC[C@H](N)C(=O)O OR61064 [0,2,0,0,0,0|1,0,0]=3 297 B7R0.5 C=CC[C@@H](N)C(=O)O OR14737 [0,2,0,0,0,0|1,0,0]=3 298 B7R0.5 C=CC[C@H](N)C(=O)O OR14736 [0,2,0,0,0,0|1,0,0]=3 299 B7R0.5 CC(C)C(=O)CC#N OR61296 [0,2,0,0,0,0|2,0,0]=4 300 B7R0.5 CCOC(=O)C(C)=O OR7781 [0,2,0,0,0,0|0,0,2]=4 301 B7R0.5 CCOC(=O)C(C)Br OR2205 [0,2,0,0,0,0|1,0,0]=3 302 B7R0.5 CCOC(=O)[C@H](C)O OR5301 [0,2,0,0,0,0|0,0,0]=2 303 B7R0.5 CNCC(N)C(=O)O OR6120T [0,2,0,0,0,0|1,0,0]=3 304 B7R0.5 COCC(Cl)C(=O)O OR15940 [0,2,0,0,0,0|1,0,0]=3 305 B7R0.5 COCC(N)C(=O)O OR14804 [0,2,0,0,0,0|1,0,0]=3 306 B7R0.5 COC[C@H](N)C(=O)O OR55011 [0,2,0,0,0,0|1,0,0]=3 307 B7R0.5 NCCC(N)C(=O)O OR28169 [0,2,0,0,0,0|1,0,0]=3 308 B7R0.5 N[C@@H](CCO)C(=O)O OR304076 [0,2,0,0,0,0|1,0,0]=3 309 B7R0.10 C=C(CBr)C(=O)OC OR322335 [0,2,0,0,0,0|1,0,1]=4 310 B7R0.10 C=CC(O)C(=O)OC OR936535 [0,2,0,0,0,0|0,0,1]=3 311 B7R0.10 CC(=N/O)\C(C)=N\O OR14325 [0,2,0,0,0,0|1,0,1]=4 312 B7R0.10 CCC(=O)N(C)OC OR962763 [0,2,0,0,0,0|2,0,0]=4 313 B7R0.10 CCC(Br)C(=O)OC OR8824 [0,2,0,0,0,0|1,0,0]=3 314 B7R0.10 CCC(N)C(=O)OC OR322366 [0,2,0,0,0,0|1,0,0]=3 315 B7R0.10 CC[C@@H](O)C(=O)OC OR52393 [0,2,0,0,0,0|0,0,0]=2 316 B7R0.10 COC(=O)C(=O)CBr OR8931 [0,2,0,0,0,0|0,0,2]=4 317 B7R0.10 COC(=O)C(Br)CBr OR3479 [0,2,0,0,0,0|1,0,0]=3 318 B7R0.10 COC(=O)C(Cl)C=O OR300674 [0,2,0,0,0,0|1,0,1]=4 319 B7R0.10 COC(=O)C(N)CS OR26796 [0,2,0,0,0,0|1,0,0]=3 320 B7R0.10 CON(C)C(=O)CCl OR10843 [0,2,0,0,0,0|2,0,0]=4 321 B7R0.10 CSC(C)\C(C)=N\O OR27701 [0,2,0,0,0,0|1,1,0]=4 322 B7R0.10 OC[C@@H](O)[C@H](O)CO OR315319 [0,2,0,0,0,0|0,0,2]=4 323 B7R0.10 OC[C@H](O)[C@@H](O)CO OR55453 [0,2,0,0,0,0|0,0,2]=4 324 B7R0.13 CC(C)(CCl)C(=O)Cl OR2036 [0,2,0,0,0,0|2,0,0]=4 325 B7R0.14 CC(C)(C)C(=O)CBr OR23786 [0,2,0,0,0,0|2,0,0]=4 326 B7R0.14 CC(C)(O)C(=N)NO OR305493 [0,2,0,0,0,0|1,0,0]=3 327 B7R0.14 CCC(=O)C(C)(C)C OR29023 [0,2,0,0,0,0|2,0,0]=4 328 B7R0.14 CNC(=O)C(C)(C)Br OR59409 [0,2,0,0,0,0|2,0,0]=4 329 B7R0.15 CNC(CS)C(=O)O OR28148 [0,2,0,0,0,0|0,1,0]=3 330 B7R0.15 CN[C@@H](CO)C(=O)O OR54415 [0,2,0,0,0,0|0,0,0]=2 331 B7R0.15 COC(OC)C(C)=O OR40044 [0,2,0,0,0,0|1,0,0]=3 332 B7R0.15 N#CC(CN)C(=O)O OR17008 [0,2,0,0,0,0|1,0,0]=3 333 B7R0.15 O=C(O)C(CBr)CBr OR22434 [0,2,0,0,0,0|1,0,0]=3 334 B7R0.17 CC(C)(O)C(C)(C)O OR61505 [0,2,0,0,0,0|1,0,1]=4 335 B5R1.2 BrC1COC1 OR301081 [1,0,0,1,0,0|1,0,1]=4 336 B5R1.2 NC1COC1 OR308008 [1,0,0,1,0,0|1,0,1]=4 337 B5R1.2 O=C1CCC1 OR30488 [1,0,0,1,0,0|1,0,0]=3 338 B5R1.2 O=C1CCN1 OR24812 [1,0,0,1,0,0|1,0,0]=3 339 B5R1.2 O=C1CNC1 OR308018 [1,0,0,1,0,0|2,0,0]=4 340 B5R1.2 O=C1COC1 OR301011 [1,0,0,1,0,0|1,0,0]=3 341 B5R1.2 OC1CNC1 OR1873 [1,0,0,1,0,0|1,0,1]=4 342 B5R1.2 OC1CNC1 OR301160 [1,0,0,1,0,0|1,0,1]=4 343 B5R1.2 OC1COC1 OR60206 [1,0,0,1,0,0|0,0,1]=3 344 B5R1.3 C=CC1CO1 OR40458 [1,0,0,1,0,0|1,0,0]=3 345 B5R1.3 CCC1CO1 OR40339 [1,0,0,1,0,0|1,0,1]=4 346 B5R1.3 CC[C@@H]1CO1 OR42174 [1,0,0,1,0,0|1,0,1]=4 347 B5R1.3 CC[C@H]1CO1 OR42173 [1,0,0,1,0,0|1,0,1]=4 348 B5R1.3 ClC[C@@H]1CO1 OR28971 [1,0,0,1,0,0|1,0,1]=4 349 B5R1.3 ClC[C@H]1CO1 OR28970 [1,0,0,1,0,0|1,0,1]=4 350 B5R1.3 O=CC1CC1 OR52083 [1,0,0,1,0,0|1,0,0]=3 351 B5R1.3 OCC1CC1 OR6507 [1,0,0,1,0,0|1,0,1]=4 352 B5R1.3 OCC1CO1 OR3778 [1,0,0,1,0,0|0,0,1]=3 353 B5R1.3 OC[C@@H]1CO1 OR70065 [1,0,0,1,0,0|0,0,1]=3 354 B5R1.3 OC[C@H]1CO1 OR42180 [1,0,0,1,0,0|0,0,1]=3 355 B7R1.2 CC1=CC(=O)NO1 OR2998 [0,0,0,1,0,1|1,0,1]=4 356 B7R1.2 C[C@@H]1COC(=O)O1 OR13704 [0,0,0,1,0,1|1,0,0]=3 357 B7R1.2 O=C1COC(=O)C1 OR15973 [0,0,0,1,0,1|0,0,2]=4 358 B7R1.2 O=C1COC(=O)C1 OR28721 [0,0,0,1,0,1|0,0,2]=4 359 B7R1.2 O=C1C[C@@H](O)CO1 OR4605 [0,0,0,1,0,1|0,0,0]=2 360 B7R1.2 O=C1C[C@H](O)CN1 OR60184 [0,0,0,1,0,1|1,0,0]=3 361 B7R1.2 O=C1OCC(Cl)O1 OR16071 [0,0,0,1,0,1|1,0,0]=3 362 B7R1.12 C[C@@H]1C[C@H]1C(=O)O OR303309 [0,0,0,1,0,1|1,0,0]=3 363 B7R1.12 C[C@H]1C[C@@H]1C(=O)O OR41152 [0,0,0,1,0,1|1,0,0]=3 364 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I OR302295 [0,0,0,1,0,1|1,0,0]=3 365 B7R1.20 NC(=O)NC1CC1 OR21332 [0,0,0,1,0,1|2,0,0]=4 366 B7R1.20 O=C(O)CC1CC1 OR59893 [0,0,0,1,0,1|1,0,0]=3 367 B7R1.4 CC1=NON=C1O OR13251 [0,1,0,1,0,0|1,0,1]=4 368 B7R1.4 CC1CCOC1=O OR55456 [0,1,0,1,0,0|1,0,0]=3 369 B7R1.4 CC1OCCC1=O OR28730 [0,1,0,1,0,0|1,0,0]=3 370 B7R1.4 NC1CCOC1=O OR5100 [0,1,0,1,0,0|1,0,0]=3 371 B7R1.4 N[C@@H]1COC[C@@H]1O OR307686 [0,1,0,1,0,0|1,0,1]=4 372 B7R1.4 N[C@H]1CCOC1=O OR54538 [0,1,0,1,0,0|1,0,0]=3 373 B7R1.4 O=C1CCCC1Cl OR5230 [0,1,0,1,0,0|2,0,0]=4 374 B7R1.4 O=C1NCCC1O OR40442 [0,1,0,1,0,0|1,0,0]=3 375 B7R1.4 O=C1OCCC1Br OR5280 [0,1,0,1,0,0|1,0,0]=3 376 B7R1.4 O=C1OCC[C@@H]1O OR315288 [0,1,0,1,0,0|0,0,0]=2 377 B7R1.4 O=C1OCC[C@H]1O OR315289 [0,1,0,1,0,0|0,0,0]=2 378 B7R1.4 O[C@@H]1CNC[C@H]1O OR55391 [0,1,0,1,0,0|1,0,1]=4 379 B7R1.4 O[C@@H]1CNC[C@H]1O OR55392 [0,1,0,1,0,0|1,0,1]=4 380 B7R1.4 O[C@H]1COC[C@@H]1O OR8886 [0,1,0,1,0,0|0,0,2]=4 381 B7R1.18 NC(=O)C1CNC1 OR308017 [0,1,0,1,0,0|2,0,0]=4 382 B7R1.18 NC(=O)C1CNC1 OR317162 [0,1,0,1,0,0|2,0,0]=4 383 B7R1.18 O=C(Cl)C1CCC1 OR28716 [0,1,0,1,0,0|2,0,0]=4 384 B7R1.18 O=C(O)C1CCC1 OR8888 [0,1,0,1,0,0|1,0,0]=3 385 B7R1.18 O=C(O)C1CNC1 OR0961 [0,1,0,1,0,0|1,0,0]=3 386 B7R1.18 O=C(O)C1COC1 OR309073 [0,1,0,1,0,0|0,0,0]=2 387 B7R1.18 O=C(O)C1CSC1 OR312065 [0,1,0,1,0,0|0,1,0]=3 388 B7R1.18 O=C(O)[C@@H]1CCN1 OR1250T [0,1,0,1,0,0|1,0,0]=3 389 B7R1.19 CC1(C(=O)O)CC1 OR24738 [0,1,0,1,0,0|1,0,0]=3 390 B7R1.19 NC1(C(=O)O)CC1 OR0355T [0,1,0,1,0,0|1,0,0]=3 391 B7R1.19 O=C(O)C1(O)CC1 OR15989 [0,1,0,1,0,0|0,0,0]=2 392 B7R1.22 COC(=O)[C@H]1CN1 OR313079 [0,1,0,1,0,0|1,0,0]=3 393 B7R0.6 CC(=O)C=CC(C)C OR27820 [0,0,0,0,0,2|2,0,0]=4 394 B7R0.6 CC(C)CCC(=O)O OR40421 [0,0,0,0,0,2|1,0,0]=3 395 B7R0.6 CC(C)OCC(=O)O OR46564 [0,0,0,0,0,2|1,0,0]=3 396 B7R0.6 CC(C)\C=C/C(=O)O OR6364 [0,0,0,0,0,2|1,0,0]=3 397 B7R0.6 C[C@@H](O)CC[C@@H](C)O OR46574 [0,0,0,0,0,2|1,0,1]=4 398 B7R0.6 C[C@H](O)CC[C@H](C)O OR20022 [0,0,0,0,0,2|1,0,1]=4 399 B7R0.6 O=C(O)\C=C/C(=O)O OR17920 [0,0,0,0,0,2|1,0,1]=4