0 B6R0.2 CC(=O)C=C(C)N OR1506 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.2 CC(=O)CC(C)=O OR16430 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.2 CC(=O)CC(C)C OR61047 [0,0,0,0,0,0|1,0,0]=1 3 B6R0.2 CC(=O)\C=C(\C)[O-] OR15745 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.2 CC(C)=CC(=O)Cl OR29360 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.2 CC(C)=CC(=O)O OR46069 [0,0,0,0,0,0|0,0,2]=2 6 B6R0.2 CC(C)=C[N+](=O)[O-] OR310840 [0,0,0,0,0,0|1,0,3]=4 7 B6R0.2 CC(C)CB(O)O OR14160 [0,0,0,0,0,0|1,0,1]=2 8 B6R0.2 CC(C)CC(=O)O OR2260 [0,0,0,0,0,0|0,0,0]=0 9 B6R0.2 CC(C)CC(N)=O OR22499 [0,0,0,0,0,0|1,0,0]=1 10 B6R0.2 CC(C)NC(C)C OR1090 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.2 CC(C)NC(C)C OR12657 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.2 CC(C)OC(C)C OR30780 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.2 CC(Cl)OC(=O)Cl OR16433 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.2 CC(O)CC(C)O OR10041 [0,0,0,0,0,0|2,0,1]=3 15 B6R0.2 CN(C)CC(=O)O OR45130 [0,0,0,0,0,0|1,0,0]=1 16 B6R0.2 NC(=O)CC(N)=O OR5304 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.2 NC(=O)C[N+](=O)[O-] OR13268 [0,0,0,0,0,0|4,0,0]=4 18 B6R0.2 O=C(Cl)CC(=O)Cl OR46548 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.2 O=C(O)CC(=O)O OR0786 [0,0,0,0,0,0|2,0,1]=3 20 B5R0.1 C=CC[C@H](C)O OR304051 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 CC#CC(=O)O OR315221 [1,0,0,0,0,0|0,0,2]=3 22 B5R0.1 CC(=O)NCO OR61255 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.1 CC(C)CC#N OR52674 [1,0,0,0,0,0|1,0,1]=3 24 B5R0.1 CC(C)CCI OR8220 [1,0,0,0,0,0|1,0,1]=3 25 B5R0.1 CC(C)CCN OR12816 [1,0,0,0,0,0|1,0,1]=3 26 B5R0.1 CC(C)CCO OR460021 [1,0,0,0,0,0|0,0,1]=2 27 B5R0.1 CC(C)CNN OR0203 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.1 CC(C)C[Mg]Br OR52618 [1,0,0,0,0,0|2,0,0]=3 29 B5R0.1 CC(C)N=C=S OR30306 [1,0,0,0,0,0|1,1,1]=4 30 B5R0.1 CC(O)CC#N OR2847 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 CCCB(O)O OR8415 [1,0,0,0,0,0|1,0,1]=3 32 B5R0.1 CCCC(=O)O OR6005 [1,0,0,0,0,0|0,0,0]=1 33 B5R0.1 CCCC(=O)[O-] OR8783 [1,0,0,0,0,0|0,0,1]=2 34 B5R0.1 CCCC(C)N OR10075 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.1 CCNC(N)=O OR42229 [1,0,0,0,0,0|2,0,0]=3 36 B5R0.1 CCOC(=S)[S-] OR59885 [1,0,0,0,0,0|1,2,0]=4 37 B5R0.1 CN(C)CCN OR6514 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.1 COCC(=O)Cl OR40393 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.1 CSCC(=O)O OR4573 [1,0,0,0,0,0|1,0,0]=2 40 B5R0.1 C[C@@H](O)CCO OR2223 [1,0,0,0,0,0|1,0,1]=3 41 B5R0.1 NC(=O)CCBr OR322315 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.1 NC(=O)CCCl OR26786 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.1 NCCC(=O)O OR5225 [1,0,0,0,0,0|1,0,0]=2 44 B5R0.1 O=C(Cl)CCCl OR11057 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.1 O=C(O)CCBr OR8993 [1,0,0,0,0,0|1,0,0]=2 46 B5R0.1 O=C(O)CCO OR59874 [1,0,0,0,0,0|1,0,0]=2 47 B5R0.1 O=C(O)CCO OR70031 [1,0,0,0,0,0|1,0,0]=2 48 B5R0.1 O=C(O)\C=C\Cl OR2048 [1,0,0,0,0,0|1,0,2]=4 49 B7R0.2 CC(=O)NC(C)CN OR321289 [0,1,0,0,0,0|2,0,0]=3 50 B7R0.2 CC(C)C[C@H](N)CO OR8973 [0,1,0,0,0,0|1,0,1]=3 51 B7R0.2 CC(C)NC(=O)CCl OR25475 [0,1,0,0,0,0|2,0,0]=3 52 B7R0.2 CC(C)NC(=O)CN OR8216 [0,1,0,0,0,0|2,0,0]=3 53 B7R0.2 CC(C)OC(=O)CBr OR55079 [0,1,0,0,0,0|2,0,0]=3 54 B7R0.2 CC(C=O)=CN(C)C OR24502 [0,1,0,0,0,0|2,0,1]=4 55 B7R0.2 CCC(C)CC(=O)O OR5351 [0,1,0,0,0,0|0,0,0]=1 56 B7R0.2 CCC(C)CC(C)C OR52416 [0,1,0,0,0,0|2,0,1]=4 57 B7R0.2 CCC(C)CC(C)N OR2894 [0,1,0,0,0,0|2,0,1]=4 58 B7R0.2 CCC(N)CC(=O)O OR16680 [0,1,0,0,0,0|1,0,0]=2 59 B7R0.2 CC[C@@H](N)CC(=O)O OR40585 [0,1,0,0,0,0|1,0,0]=2 60 B7R0.2 CN(C)CC(O)CCl OR11726 [0,1,0,0,0,0|2,0,1]=4 61 B7R0.2 CNC(=O)CC(C)=O OR54480 [0,1,0,0,0,0|2,0,1]=4 62 B7R0.2 COC(=O)C=C(C)C OR7136 [0,1,0,0,0,0|0,0,2]=3 63 B7R0.2 COC(=O)CC(=N)N OR471204 [0,1,0,0,0,0|2,0,1]=4 64 B7R0.2 COC(=O)CC(=O)Cl OR8845 [0,1,0,0,0,0|2,0,1]=4 65 B7R0.2 COC(=O)CC(=O)O OR54514 [0,1,0,0,0,0|1,0,1]=3 66 B7R0.2 COC(=O)CC(=O)[O-] OR25586 [0,1,0,0,0,0|1,0,2]=4 67 B7R0.2 COC(=O)CC(C)=O OR54474 [0,1,0,0,0,0|1,0,1]=3 68 B7R0.2 COC(=O)C[C@@H](C)N OR913686 [0,1,0,0,0,0|1,0,0]=2 69 B7R0.2 COC(=O)C[C@@H](C)O OR28835 [0,1,0,0,0,0|1,0,0]=2 70 B7R0.2 COC(=O)C[N+](=O)[O-] OR2038 [0,1,0,0,0,0|3,0,0]=4 71 B7R0.2 COC(=O)\C=C(\C)N OR11326 [0,1,0,0,0,0|1,0,2]=4 72 B7R0.2 NCC(O)CC(=O)O OR1057 [0,1,0,0,0,0|1,0,0]=2 73 B7R0.9 CC(=O)CC(C)(C)C OR0844 [0,1,0,0,0,0|1,0,0]=2 74 B7R0.9 CC(C)(C)CC(=O)O OR0494 [0,1,0,0,0,0|0,0,0]=1 75 B7R0.9 CC(C)(C)NC(N)=S OR30207 [0,1,0,0,0,0|2,1,0]=4 76 B7R0.9 CC(C)(C)OC(N)=O OR55005 [0,1,0,0,0,0|2,0,0]=3 77 B7R0.9 CC(C)(N)CC(=O)O OR01641 [0,1,0,0,0,0|0,0,0]=1 78 B7R0.9 CC(C)NS(=O)(=O)Cl OR346199 [0,1,0,0,0,0|2,0,1]=4 79 B7R0.9 CS(=O)(=O)CC(=O)O OR45106 [0,1,0,0,0,0|2,0,0]=3 80 B7R0.9 C[C@@H](O)CC(C)(C)O OR315010 [0,1,0,0,0,0|1,0,1]=3 81 B7R0.16 CC(=O)C(Cl)C(C)=O OR47825 [0,1,0,0,0,0|2,0,1]=4 82 B7R0.16 CC(=O)C(Cl)C(N)=O OR51821 [0,1,0,0,0,0|2,0,1]=4 83 B7R0.16 CC(C)[C@@H](N)C(=O)O OR5884 [0,1,0,0,0,0|0,0,0]=1 84 B7R0.16 CC(C)[C@@H](O)C(=O)O OR6367 [0,1,0,0,0,0|0,0,0]=1 85 B7R0.16 CC(C)[C@H](O)C(=O)O OR17815 [0,1,0,0,0,0|0,0,0]=1 86 B7R0.16 CN(C)C(=O)C(=O)O OR0185 [0,1,0,0,0,0|1,0,1]=3 87 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O OR316027 [0,1,0,0,0,0|1,0,0]=2 88 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O OR2477 [0,1,0,0,0,0|1,0,0]=2 89 B7R1.2 CC1=CC(=O)CC1 OR17891 [0,0,0,1,0,0|1,0,2]=4 90 B7R1.2 CN1CCC(O)C1 OR5467 [0,0,0,1,0,0|2,0,1]=4 91 B7R1.2 CN1CC[C@@H](O)C1 OR4626 [0,0,0,1,0,0|2,0,1]=4 92 B7R1.2 C[C@@H]1COC(=O)O1 OR13704 [0,0,0,1,0,0|1,0,0]=2 93 B7R1.2 N[C@H]1CC[C@@H](O)C1 OR61072 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.2 O=C1CCC(=O)C1 OR24952 [0,0,0,1,0,0|2,0,1]=4 95 B7R1.2 O=C1COC(=O)C1 OR15973 [0,0,0,1,0,0|1,0,1]=3 96 B7R1.2 O=C1COC(=O)C1 OR28721 [0,0,0,1,0,0|1,0,1]=3 97 B7R1.2 O=C1C[C@@H](O)CO1 OR4605 [0,0,0,1,0,0|1,0,0]=2 98 B7R1.2 O=C1C[C@H](O)CN1 OR60184 [0,0,0,1,0,0|2,0,0]=3 99 B7R1.2 O=C1OCC(Cl)O1 OR16071 [0,0,0,1,0,0|2,0,0]=3 100 B7R1.12 C[C@@H]1C[C@H]1C(=O)O OR303309 [0,0,0,1,0,0|0,0,0]=1 101 B7R1.12 C[C@H]1C[C@@H]1C(=O)O OR41152 [0,0,0,1,0,0|0,0,0]=1 102 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I OR302295 [0,0,0,1,0,0|1,0,0]=2 103 B7R1.16 CC1(N)CC(O)C1 OR51832 [0,0,0,1,0,0|2,0,1]=4 104 B7R1.16 C[C@]1(N)C[C@@H](O)C1 OR51826 [0,0,0,1,0,0|2,0,1]=4 105 B7R1.16 C[C@]1(O)C[C@@H](N)C1 OR317287 [0,0,0,1,0,0|2,0,1]=4 106 B7R1.16 C[C@]1(O)C[C@H](N)C1 OR317286 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.20 NC(=O)NC1CC1 OR21332 [0,0,0,1,0,0|2,0,0]=3 108 B7R1.20 O=C(O)CC1CC1 OR59893 [0,0,0,1,0,0|0,0,0]=1 109 B5R0.5 C=C(C)C(=O)O OR54367 [0,0,0,0,1,0|0,0,2]=3 110 B5R0.5 C=C(C)C(C)C OR46606 [0,0,0,0,1,0|2,0,0]=3 111 B5R0.5 CC(=O)C(=O)O OR315034 [0,0,0,0,1,0|1,0,1]=3 112 B5R0.5 CC(=O)C(C)=O OR5248 [0,0,0,0,1,0|2,0,1]=4 113 B5R0.5 CC(=O)C(C)Br OR1466 [0,0,0,0,1,0|2,0,0]=3 114 B5R0.5 CC(=O)C(C)C OR5350 [0,0,0,0,1,0|1,0,0]=2 115 B5R0.5 CC(Br)C(=O)Cl OR40726 [0,0,0,0,1,0|2,0,0]=3 116 B5R0.5 CC(Br)C(N)=O OR24705 [0,0,0,0,1,0|2,0,0]=3 117 B5R0.5 CC(C)=C(C)C OR18350 [0,0,0,0,1,0|2,0,1]=4 118 B5R0.5 CC(C)B(O)O OR8880 [0,0,0,0,1,0|1,0,1]=3 119 B5R0.5 CC(C)C(=N)N OR27276 [0,0,0,0,1,0|2,0,0]=3 120 B5R0.5 CC(C)C(=O)Cl OR10005 [0,0,0,0,1,0|1,0,0]=2 121 B5R0.5 CC(C)C(C)C OR53144 [0,0,0,0,1,0|2,0,1]=4 122 B5R0.5 CC(C)C(C)O OR10026 [0,0,0,0,1,0|1,0,1]=3 123 B5R0.5 CN(C)C(=O)Cl OR51817 [0,0,0,0,1,0|2,0,0]=3 124 B5R0.5 CN(C)C(=S)Cl OR28875 [0,0,0,0,1,0|2,1,0]=4 125 B5R0.5 CN(C)C(=S)[S-] OR9121 [0,0,0,0,1,0|1,2,0]=4 126 B5R0.5 CN(C)C(N)=O OR48247 [0,0,0,0,1,0|2,0,0]=3 127 B5R0.5 C[C@@H](Cl)C(=O)O OR52411 [0,0,0,0,1,0|1,0,0]=2 128 B5R0.5 C[C@@H](O)C(=O)O OR960721 [0,0,0,0,1,0|1,0,0]=2 129 B5R0.5 C[C@@H](O)C(N)=O OR18079 [0,0,0,0,1,0|2,0,0]=3 130 B5R0.5 C[C@@H](O)[C@@H](C)O OR15918 [0,0,0,0,1,0|2,0,1]=4 131 B5R0.5 C[C@H](Cl)C(=O)O OR28944 [0,0,0,0,1,0|1,0,0]=2 132 B5R0.5 C[C@H](N)C(N)=O OR22615 [0,0,0,0,1,0|2,0,0]=3 133 B5R0.5 C[C@H](O)[C@H](C)O OR15919 [0,0,0,0,1,0|2,0,1]=4 134 B5R0.5 NC(=O)C(=O)O OR54598 [0,0,0,0,1,0|2,0,1]=4 135 B5R0.5 NC(=O)C(Cl)Cl OR14320 [0,0,0,0,1,0|3,0,0]=4 136 B5R0.5 O=C(Cl)C(Cl)Cl OR5297 [0,0,0,0,1,0|3,0,0]=4 137 B5R0.5 [C@H](C)(N)C(N)=O OR22614 [0,0,0,0,1,0|2,0,0]=3 138 B7R0.6 CC(=O)C=CC(C)C OR27820 [0,0,0,0,0,1|1,0,1]=3 139 B7R0.6 CC(=O)CCC(C)=O OR8860 [0,0,0,0,0,1|2,0,1]=4 140 B7R0.6 CC(=O)OCC(=O)Cl OR1899 [0,0,0,0,0,1|2,0,1]=4 141 B7R0.6 CC(C)CCB(O)O OR360310 [0,0,0,0,0,1|1,0,1]=3 142 B7R0.6 CC(C)CCC(=O)O OR40421 [0,0,0,0,0,1|0,0,0]=1 143 B7R0.6 CC(C)OCC(=O)O OR46564 [0,0,0,0,0,1|0,0,0]=1 144 B7R0.6 CC(C)\C=C/C(=O)O OR6364 [0,0,0,0,0,1|0,0,1]=2 145 B7R0.6 C[C@@H](O)CC[C@@H](C)O OR46574 [0,0,0,0,0,1|2,0,1]=4 146 B7R0.6 C[C@H](O)CC[C@H](C)O OR20022 [0,0,0,0,0,1|2,0,1]=4 147 B4R0.1 C#CC(=O)O OR30972 [2,0,0,0,0,0|0,0,2]=4 148 B4R0.1 C=C(C)CC OR14507 [2,0,0,0,0,0|2,0,0]=4 149 B4R0.1 C=C(C)CO OR16426 [2,0,0,0,0,0|0,0,2]=4 150 B4R0.1 C=CC(C)C OR460043 [2,0,0,0,0,0|0,0,1]=3 151 B4R0.1 C=CC(C)Cl OR55516 [2,0,0,0,0,0|1,0,1]=4 152 B4R0.1 CC(=O)C=O OR53061 [2,0,0,0,0,0|1,0,1]=4 153 B4R0.1 CC(=O)C=O OR5752 [2,0,0,0,0,0|1,0,1]=4 154 B4R0.1 CC(=O)CO OR17702 [2,0,0,0,0,0|1,0,1]=4 155 B4R0.1 CC(C)=CCl OR16424 [2,0,0,0,0,0|1,0,1]=4 156 B4R0.1 CC(C)C=O OR322092 [2,0,0,0,0,0|0,0,0]=2 157 B4R0.1 CC(C)CI OR2195 [2,0,0,0,0,0|1,0,0]=3 158 B4R0.1 CC(C)NN OR7919 [2,0,0,0,0,0|2,0,0]=4 159 B4R0.1 CC(C)NO OR59437 [2,0,0,0,0,0|1,0,0]=3 160 B4R0.1 CC(C)ON OR933332 [2,0,0,0,0,0|2,0,0]=4 161 B4R0.1 CC(C)[Mg]Br OR320105 [2,0,0,0,0,0|2,0,0]=4 162 B4R0.1 CC(C)[Mg]Br OR320106 [2,0,0,0,0,0|2,0,0]=4 163 B4R0.1 CC(C)[Mg]Cl OR320107 [2,0,0,0,0,0|2,0,0]=4 164 B4R0.1 CCB(O)O OR8874 [2,0,0,0,0,0|1,0,1]=4 165 B4R0.1 CCC(=N)N OR200136 [2,0,0,0,0,0|2,0,0]=4 166 B4R0.1 CCC(=O)[O-] OR70110 [2,0,0,0,0,0|0,0,1]=3 167 B4R0.1 CCC(C)Br OR4335 [2,0,0,0,0,0|1,0,1]=4 168 B4R0.1 CCC(C)Cl OR460003 [2,0,0,0,0,0|1,0,1]=4 169 B4R0.1 CCC(C)I OR5340 [2,0,0,0,0,0|1,0,1]=4 170 B4R0.1 CC[C@@H](C)N OR59999 [2,0,0,0,0,0|1,0,1]=4 171 B4R0.1 CC[C@@H](C)O OR304038 [2,0,0,0,0,0|1,0,1]=4 172 B4R0.1 CC[C@H](C)N OR60000 [2,0,0,0,0,0|1,0,1]=4 173 B4R0.1 CC[C@H](C)O OR4619 [2,0,0,0,0,0|1,0,1]=4 174 B4R0.1 COC(N)=O OR46510 [2,0,0,0,0,0|2,0,0]=4 175 B4R0.1 C[C@@H](N)CO OR0903 [2,0,0,0,0,0|1,0,0]=3 176 B4R0.1 C[C@@H](O)CN OR304058 [2,0,0,0,0,0|2,0,0]=4 177 B4R0.1 C[C@H](N)CO OR5875 [2,0,0,0,0,0|1,0,0]=3 178 B4R0.1 C[C@H](O)CN OR30797 [2,0,0,0,0,0|2,0,0]=4 179 B4R0.1 NC(=O)CBr OR6592 [2,0,0,0,0,0|2,0,0]=4 180 B4R0.1 NC(=O)CCl OR12801 [2,0,0,0,0,0|2,0,0]=4 181 B4R0.1 NC(=O)CI OR59962 [2,0,0,0,0,0|2,0,0]=4 182 B4R0.1 NC(=O)CO OR21888 [2,0,0,0,0,0|2,0,0]=4 183 B4R0.1 NC(=O)CS OR24255 [2,0,0,0,0,0|2,0,0]=4 184 B4R0.1 O=C(Cl)CBr OR54475 [2,0,0,0,0,0|2,0,0]=4 185 B4R0.1 O=C(O)CBr OR6366 [2,0,0,0,0,0|1,0,0]=3 186 B4R0.1 O=C(O)CI OR322006 [2,0,0,0,0,0|1,0,0]=3 187 B4R0.1 O=C(O)CO OR13191 [2,0,0,0,0,0|1,0,0]=3 188 B4R0.1 O=C([O-])CS OR30627 [2,0,0,0,0,0|1,0,1]=4 189 B4R0.1 O=CC(=O)O OR52099 [2,0,0,0,0,0|1,0,1]=4 190 B4R0.2 C#CCCC OR5512 [2,0,0,0,0,0|1,0,1]=4 191 B4R0.2 C=CCCBr OR8033 [2,0,0,0,0,0|2,0,0]=4 192 B4R0.2 C=CCCC OR5326 [2,0,0,0,0,0|1,0,0]=3 193 B4R0.2 C=CCNC OR3619 [2,0,0,0,0,0|2,0,0]=4 194 B4R0.2 CCCC#N OR9437 [2,0,0,0,0,0|1,0,1]=4 195 B4R0.2 CCCCBr OR460056 [2,0,0,0,0,0|1,0,1]=4 196 B4R0.2 CCCCI OR3174 [2,0,0,0,0,0|1,0,1]=4 197 B4R0.2 CCOC=O OR28814 [2,0,0,0,0,0|1,0,0]=3 198 B4R0.2 OCCCBr OR0978 [2,0,0,0,0,0|1,0,1]=4 199 B4R0.2 OCCCCl OR0977 [2,0,0,0,0,0|1,0,1]=4 200 B6R0.1 C#CC(=O)OCC OR28819 [1,1,0,0,0,0|2,0,0]=4 201 B6R0.1 CCCC(=N)NO OR12351 [1,1,0,0,0,0|1,0,0]=3 202 B6R0.1 CCCC(C)C=O OR40018 [1,1,0,0,0,0|1,0,1]=4 203 B6R0.1 CCNC(=O)CBr OR40485 [1,1,0,0,0,0|2,0,0]=4 204 B6R0.1 CCOC(=O)C#N OR17890 [1,1,0,0,0,0|2,0,0]=4 205 B6R0.1 CCOC(=O)C=O OR59968 [1,1,0,0,0,0|1,0,1]=4 206 B6R0.1 CCOC(=O)CN OR43634 [1,1,0,0,0,0|2,0,0]=4 207 B6R0.1 CCOC(=O)CS OR17516 [1,1,0,0,0,0|1,1,0]=4 208 B6R0.1 CCOC(=O)NN OR25885 [1,1,0,0,0,0|2,0,0]=4 209 B6R0.1 CCOC(=O)NO OR9111 [1,1,0,0,0,0|1,0,0]=3 210 B6R0.1 CNC(=O)CCN OR16480 [1,1,0,0,0,0|2,0,0]=4 211 B6R0.1 CNC(=O)CCN OR51734 [1,1,0,0,0,0|2,0,0]=4 212 B6R0.1 CNCC(=O)OC OR26803 [1,1,0,0,0,0|1,0,0]=3 213 B6R0.1 COC(=O)CC#N OR13190 [1,1,0,0,0,0|1,0,1]=4 214 B6R0.1 COC(=O)CCS OR28780 [1,1,0,0,0,0|1,0,0]=3 215 B6R0.1 COC(=O)CSC OR9387 [1,1,0,0,0,0|1,0,0]=3 216 B6R0.1 OCC[C@@H](O)CO OR4602 [1,1,0,0,0,0|1,0,1]=4 217 B6R0.1 OCC[C@H](O)CO OR5242 [1,1,0,0,0,0|1,0,1]=4 218 B6R0.1 [C-]#[N+]CC(=O)OC OR54541 [1,1,0,0,0,0|1,0,1]=4 219 B6R0.3 CC(C)C(=N)NO OR40109 [1,1,0,0,0,0|1,0,1]=4 220 B6R0.3 CC(C)C(N)CO OR17684 [1,1,0,0,0,0|0,0,1]=3 221 B6R0.3 CC(C)[C@@H](N)CO OR5885 [1,1,0,0,0,0|0,0,1]=3 222 B6R0.3 CC(C)[C@H](N)CO OR5874 [1,1,0,0,0,0|0,0,1]=3 223 B6R0.3 CCC(N)C(=O)O OR9986 [1,1,0,0,0,0|0,0,0]=2 224 B6R0.3 CC[C@@H](N)C(=O)O OR9988 [1,1,0,0,0,0|0,0,0]=2 225 B6R0.3 CC[C@H](C)C(=O)O OR315294 [1,1,0,0,0,0|0,0,0]=2 226 B6R0.3 CC[C@H](Cl)C(=O)O OR54621 [1,1,0,0,0,0|0,0,0]=2 227 B6R0.3 CC[C@H](N)C(=O)O OR01636 [1,1,0,0,0,0|0,0,0]=2 228 B6R0.3 CC[C@H](N)C(N)=O OR46608 [1,1,0,0,0,0|1,0,0]=3 229 B6R0.3 CNC(=O)C(=O)O OR016302 [1,1,0,0,0,0|1,0,1]=4 230 B6R0.3 CNC(C)C(=O)O OR930477 [1,1,0,0,0,0|1,0,0]=3 231 B6R0.3 CN[C@@H](C)C(=O)O OR61451 [1,1,0,0,0,0|1,0,0]=3 232 B6R0.3 C\C=C(\C)C(=O)O OR28647 [1,1,0,0,0,0|0,0,2]=4 233 B6R0.3 NCC(N)C(=O)O OR42215 [1,1,0,0,0,0|1,0,0]=3 234 B6R0.3 NCC(N)C(=O)O OR5494 [1,1,0,0,0,0|1,0,0]=3 235 B6R0.3 NCC(O)C(=O)O OR322969 [1,1,0,0,0,0|1,0,0]=3 236 B6R0.3 N[C@@H](CS)C(=O)O OR0325 [1,1,0,0,0,0|1,0,0]=3 237 B6R0.3 O=C(O)C(=O)CBr OR10838 [1,1,0,0,0,0|1,0,1]=4 238 B6R0.3 O=C(O)C(=O)CBr OR8799 [1,1,0,0,0,0|1,0,1]=4 239 B6R0.3 O=C(O)C(Br)CBr OR4887 [1,1,0,0,0,0|1,0,0]=3 240 B6R0.4 C#CCCC(=O)O OR5526 [1,1,0,0,0,0|0,0,1]=3 241 B6R0.4 C=CCCC(C)Br OR55112 [1,1,0,0,0,0|2,0,0]=4 242 B6R0.4 C=CCC[C@@H](C)O OR304052 [1,1,0,0,0,0|2,0,0]=4 243 B6R0.4 CC(=O)CCCCl OR10086 [1,1,0,0,0,0|1,0,0]=3 244 B6R0.4 CC(=O)NCCCl OR55006 [1,1,0,0,0,0|2,0,0]=4 245 B6R0.4 CC(C)CN=C=S OR28903 [1,1,0,0,0,0|0,1,1]=4 246 B6R0.4 CCC#CC(=O)O OR70066 [1,1,0,0,0,0|0,0,1]=3 247 B6R0.4 CCC=CC(=O)O OR6566 [1,1,0,0,0,0|0,0,1]=3 248 B6R0.4 CCCCB(O)O OR10619 [1,1,0,0,0,0|1,0,1]=4 249 B6R0.4 CCCCC(C)=O OR10020 [1,1,0,0,0,0|1,0,0]=3 250 B6R0.4 CCCC[C@H](C)O OR304042 [1,1,0,0,0,0|1,0,1]=4 251 B6R0.4 CCCOC(C)=O OR5312 [1,1,0,0,0,0|1,0,0]=3 252 B6R0.4 CCOCC(=O)O OR6531 [1,1,0,0,0,0|0,0,0]=2 253 B6R0.4 CNCCC(=O)O OR301194 [1,1,0,0,0,0|0,0,0]=2 254 B6R0.4 CNCCC(N)=O OR17506 [1,1,0,0,0,0|1,0,0]=3 255 B6R0.4 NC(=O)NCCO OR17003 [1,1,0,0,0,0|2,0,0]=4 256 B6R0.4 NCCCC(=O)O OR01972 [1,1,0,0,0,0|0,0,0]=2 257 B6R0.4 O=C(Cl)CCCCl OR5355 [1,1,0,0,0,0|1,0,0]=3 258 B6R0.4 O=C(O)CCCBr OR4284 [1,1,0,0,0,0|0,0,0]=2 259 B6R0.4 O=C(O)\C=C\CBr OR313099 [1,1,0,0,0,0|0,0,2]=4 260 B6R0.5 C=CC[Si](C)(C)Cl OR55393 [1,1,0,0,0,0|1,1,0]=4 261 B6R0.5 CC(C)(C)C[Mg]Cl OR320003 [1,1,0,0,0,0|2,0,0]=4 262 B6R0.5 CC(C)(C)ON=O OR2337 [1,1,0,0,0,0|2,0,0]=4 263 B6R0.5 CC(C)(O)CCN OR60244 [1,1,0,0,0,0|1,0,1]=4 264 B6R0.5 CC(C)(O)CCO OR16608 [1,1,0,0,0,0|0,0,1]=3 265 B6R0.5 CCCC(C)(C)N OR30986 [1,1,0,0,0,0|1,0,1]=4 266 B6R0.5 CCCS(=O)(=O)Cl OR19492 [1,1,0,0,0,0|1,0,1]=4 267 B6R0.5 CCCS(N)(=O)=O OR11393 [1,1,0,0,0,0|1,0,1]=4 268 B6R0.5 C[N+](C)(C)CC=O OR2501 [1,1,0,0,0,0|1,0,0]=3 269 B6R0.5 C[Si](C)(C)CCO OR4827 [1,1,0,0,0,0|0,1,1]=4 270 B6R0.5 O=P(O)(O)CCCl OR10677 [1,1,0,0,0,0|2,0,0]=4 271 B6R0.7 CC(=O)C(C)(C)Br OR938435 [0,1,0,0,1,0|1,0,0]=3 272 B6R0.7 CC(=O)C(C)(C)C OR28613 [0,1,0,0,1,0|1,0,0]=3 273 B6R0.7 CC(C)(Br)C(N)=O OR59336 [0,1,0,0,1,0|1,0,0]=3 274 B6R0.7 CC(C)(C)C(=N)N OR27177 [0,1,0,0,1,0|2,0,0]=4 275 B6R0.7 CC(C)(C)C(=O)[O-] OR961732 [0,1,0,0,1,0|0,0,1]=3 276 B6R0.7 CC(C)(C)S(N)=O OR301075 [0,1,0,0,1,0|2,0,0]=4 277 B6R0.7 CC(C)(C)[S@@](N)=O OR3234 [0,1,0,0,1,0|2,0,0]=4 278 B6R0.7 CC(C)(C)[S@](N)=O OR3233 [0,1,0,0,1,0|2,0,0]=4 279 B6R0.7 CC(C)(O)C(=O)O OR4840 [0,1,0,0,1,0|0,0,0]=2 280 B6R0.7 CC(C)S(=O)(=O)Cl OR9002 [0,1,0,0,1,0|1,0,1]=4 281 B6R0.7 CC(C)S(N)(=O)=O OR17829 [0,1,0,0,1,0|1,0,1]=4 282 B6R0.7 C[C@H](N)P(=O)(O)O OR315335 [0,1,0,0,1,0|2,0,0]=4 283 B6R0.7 O=C(O)C(Cl)(Cl)Cl OR8372 [0,1,0,0,1,0|2,0,0]=4 284 B8R0.9 COC(=O)\C=C\C(C)C OR6465 [0,1,0,0,0,1|0,0,1]=3 285 B8R0.9 NCC(=O)CCC(=O)O OR1490 [0,1,0,0,0,1|1,0,1]=4 286 B8R0.23 CC(=O)O[C@@H](C)C(=O)O OR322114 [0,1,0,0,0,1|1,0,1]=4 287 B8R0.23 CC(C)C(N)CC(=O)O OR17575 [0,1,0,0,0,1|0,0,0]=2 288 B8R0.23 CC(C)[C@H](N)CC(=O)O OR17574 [0,1,0,0,0,1|0,0,0]=2 289 B8R0.23 CC(C)[C@H](N)CC(=O)O OR54508 [0,1,0,0,0,1|0,0,0]=2 290 B8R0.29 CC(C)(C)CCC(=O)O OR318007 [0,1,0,0,0,1|0,0,0]=2 291 B8R0.29 CC(C)(C)OCC(=O)O OR0183 [0,1,0,0,0,1|0,0,0]=2 292 B8R0.29 O=C(O)CCC(Cl)(Cl)Cl OR0757 [0,1,0,0,0,1|2,0,0]=4 293 B8R0.2 CCC(O)C(Cl)C(=O)O OR22130 [0,2,0,0,0,0|1,0,0]=3 294 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O OR14897 [0,2,0,0,0,0|0,0,0]=2 295 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O OR61331 [0,2,0,0,0,0|0,0,0]=2 296 B8R0.5 CC(C)OC(=O)CC#N OR28722 [0,2,0,0,0,0|2,0,0]=4 297 B8R0.5 CCC\C(C)=C\C(=O)O OR70168 [0,2,0,0,0,0|0,0,2]=4 298 B8R0.5 CCOC(=O)C=C(C)C OR54610 [0,2,0,0,0,0|0,0,2]=4 299 B8R0.5 CCOC(=O)CC(=O)O OR54513 [0,2,0,0,0,0|1,0,1]=4 300 B8R0.5 CCOC(=O)C[C@H](C)O OR304080 [0,2,0,0,0,0|1,0,0]=3 301 B8R0.5 CCOC(=O)C[S+](C)C OR5509 [0,2,0,0,0,0|1,0,0]=3 302 B8R0.16 COC(CC(C)=O)OC OR59432 [0,2,0,0,0,0|1,0,0]=3 303 B8R0.19 CCC(=O)CC(=O)OC OR5113 [0,2,0,0,0,0|1,0,1]=4 304 B8R0.19 CNC(C)=CC(=O)OC OR29585 [0,2,0,0,0,0|0,0,2]=4 305 B8R0.19 COC(=O)CC(=O)CCl OR4924 [0,2,0,0,0,0|1,0,1]=4 306 B8R0.19 COC(=O)CC(=O)OC OR2832 [0,2,0,0,0,0|1,0,1]=4 307 B8R0.24 C=CC(=O)OC(C)(C)C OR61301 [0,2,0,0,0,0|2,0,0]=4 308 B8R0.24 CC(C)(C)NC(=O)CCl OR25511 [0,2,0,0,0,0|2,0,0]=4 309 B8R0.24 CC(C)(C)OC(=O)CBr OR1584 [0,2,0,0,0,0|2,0,0]=4 310 B8R0.24 CC(C)(C)OC(=O)CN OR315773 [0,2,0,0,0,0|2,0,0]=4 311 B8R0.24 CC(C)(C)OC(=O)CN OR61270 [0,2,0,0,0,0|2,0,0]=4 312 B8R0.24 CC(C)(C)OC(=O)CO OR932881 [0,2,0,0,0,0|1,0,0]=3 313 B8R0.24 CC(C)(C)OC(=O)NN OR322134 [0,2,0,0,0,0|2,0,0]=4 314 B8R0.24 CC(C)(C)OC(=O)NO OR322101 [0,2,0,0,0,0|1,0,0]=3 315 B8R0.24 CNC(=O)OC(C)(C)C OR61100 [0,2,0,0,0,0|2,0,0]=4 316 B8R0.27 CC(C)(C)C(=O)C(=O)O OR13657 [0,2,0,0,0,0|0,0,1]=3 317 B8R0.27 CC(C)(C)[C@H](N)C(=O)O OR0572 [0,2,0,0,0,0|0,0,0]=2 318 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O OR18365 [0,2,0,0,0,0|0,0,0]=2 319 B6R1.2 BrC1=CCCC1 OR59361 [1,0,0,1,0,0|2,0,0]=4 320 B6R1.2 CC1=NCCO1 OR52090 [1,0,0,1,0,0|2,0,0]=4 321 B6R1.2 CC1CCCO1 OR42160 [1,0,0,1,0,0|1,0,1]=4 322 B6R1.2 CC1CCNC1 OR313066 [1,0,0,1,0,0|1,0,1]=4 323 B6R1.2 C[C@H]1CCNC1 OR313067 [1,0,0,1,0,0|1,0,1]=4 324 B6R1.2 IC1CCOC1 OR52585 [1,0,0,1,0,0|1,0,1]=4 325 B6R1.2 I[C@@H]1CCOC1 OR52586 [1,0,0,1,0,0|1,0,1]=4 326 B6R1.2 NC1CC=CC1 OR301049 [1,0,0,1,0,0|2,0,0]=4 327 B6R1.2 NC1CCOC1 OR301034 [1,0,0,1,0,0|1,0,1]=4 328 B6R1.2 NC1CCOC1 OR40690 [1,0,0,1,0,0|1,0,1]=4 329 B6R1.2 N[C@@H]1CCOC1 OR322597 [1,0,0,1,0,0|1,0,1]=4 330 B6R1.2 N[C@@H]1CCOC1 OR4604 [1,0,0,1,0,0|1,0,1]=4 331 B6R1.2 N[C@H]1CCOC1 OR322596 [1,0,0,1,0,0|1,0,1]=4 332 B6R1.2 O=C1C=CCC1 OR9084 [1,0,0,1,0,0|1,0,1]=4 333 B6R1.2 O=C1C=CCO1 OR2878 [1,0,0,1,0,0|0,0,2]=4 334 B6R1.2 O=C1CCCC1 OR10095 [1,0,0,1,0,0|1,0,0]=3 335 B6R1.2 O=C1CCNC1 OR301124 [1,0,0,1,0,0|2,0,0]=4 336 B6R1.2 O=C1CCNC1 OR61343 [1,0,0,1,0,0|2,0,0]=4 337 B6R1.2 O=C1CCOC1 OR30821 [1,0,0,1,0,0|2,0,0]=4 338 B6R1.2 O=C1CCSC1 OR5506 [1,0,0,1,0,0|2,0,0]=4 339 B6R1.2 OC1CCCC1 OR10094 [1,0,0,1,0,0|1,0,1]=4 340 B6R1.2 O[C@@H]1CCOC1 OR4601 [1,0,0,1,0,0|1,0,1]=4 341 B6R1.2 O[C@H]1CCOC1 OR4603 [1,0,0,1,0,0|1,0,1]=4 342 B6R1.2 S=C1CCCN1 OR22113 [1,0,0,1,0,0|1,1,0]=4 343 B6R1.2 S=C1NCCO1 OR28382 [1,0,0,1,0,0|1,1,0]=4 344 B6R1.3 BrCCC1CC1 OR41170 [1,0,0,1,0,0|1,0,1]=4 345 B6R1.3 NCCC1CC1 OR19507 [1,0,0,1,0,0|1,0,1]=4 346 B6R1.3 O=C=NC1CC1 OR307001 [1,0,0,1,0,0|1,0,1]=4 347 B6R1.5 CN1CC(O)C1 OR308027 [1,0,0,1,0,0|1,0,1]=4 348 B6R1.5 CN1CC(O)C1 OR317154 [1,0,0,1,0,0|1,0,1]=4 349 B6R1.5 NC1CC(=O)C1 OR308095 [1,0,0,1,0,0|1,0,0]=3 350 B6R1.5 NC1CC(O)C1 OR317063 [1,0,0,1,0,0|1,0,1]=4 351 B6R1.5 N[C@H]1C[C@@H](O)C1 OR308097 [1,0,0,1,0,0|1,0,1]=4 352 B6R1.5 N[C@H]1C[C@H](O)C1 OR308098 [1,0,0,1,0,0|1,0,1]=4 353 B6R1.10 CC1(C)CNC1 OR313047 [1,0,0,1,0,0|2,0,0]=4 354 B6R1.10 CC1(C)COC1 OR309099 [1,0,0,1,0,0|2,0,0]=4 355 B6R1.11 CC(=O)C1CC1 OR10100 [1,0,0,1,0,0|1,0,0]=3 356 B6R1.11 CC(=O)C1CO1 OR01831 [1,0,0,1,0,0|2,0,0]=4 357 B6R1.11 CC(O)C1CC1 OR54516 [1,0,0,1,0,0|1,0,1]=4 358 B6R1.11 N=C(N)C1CC1 OR27201 [1,0,0,1,0,0|2,0,0]=4 359 B6R1.11 NC(=O)C1CC1 OR18286 [1,0,0,1,0,0|1,0,0]=3 360 B6R1.11 O=C(Cl)C1CC1 OR17255 [1,0,0,1,0,0|1,0,0]=3 361 B6R1.11 O=C(O)C1CC1 OR5295 [1,0,0,1,0,0|0,0,0]=2 362 B6R1.11 OB(O)C1CC1 OR6228 [1,0,0,1,0,0|1,0,1]=4 363 B8R1.3 CC1CCC(=O)CC1 OR5041 [0,0,0,1,0,1|1,0,0]=3 364 B8R1.3 CN1CCC(=O)CC1 OR0648 [0,0,0,1,0,1|2,0,0]=4 365 B8R1.3 NC1CCC(=O)CC1 OR301000 [0,0,0,1,0,1|2,0,0]=4 366 B8R1.3 NC1CCC(=O)CC1 OR51872 [0,0,0,1,0,1|2,0,0]=4 367 B8R1.3 O=C1CCC(O)CC1 OR60149 [0,0,0,1,0,1|2,0,0]=4 368 B8R1.3 O=C1CCC(O)CN1 OR313048 [0,0,0,1,0,1|2,0,0]=4 369 B8R1.3 O=C1COC(=O)CO1 OR28857 [0,0,0,1,0,1|1,0,1]=4 370 B8R1.23 C=C1CC(C(=O)O)C1 OR6346 [0,0,0,1,0,1|0,0,2]=4 371 B8R1.23 CC(=O)N1CC(N)C1 OR317198 [0,0,0,1,0,1|2,0,0]=4 372 B8R1.23 CN1CC(C(=O)O)C1 OR308026 [0,0,0,1,0,1|1,0,0]=3 373 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 OR8278 [0,0,0,1,0,1|1,0,0]=3 374 B8R1.23 O=C1CC(C(=O)O)C1 OR40464 [0,0,0,1,0,1|1,0,1]=4 375 B8R1.35 NC(=S)NCC1CC1 OR28359 [0,0,0,1,0,1|1,1,0]=4 376 B8R1.35 O=C(O)CCC1CC1 OR313064 [0,0,0,1,0,1|0,0,0]=2 377 B8R1.51 CC1(C)CCC(=O)O1 OR313007 [0,0,0,1,0,1|0,0,0]=2 378 B8R1.51 CC1(C)CNC(=O)C1 OR315573 [0,0,0,1,0,1|1,0,0]=3 379 B8R1.51 CC1(C)COC(=S)N1 OR25431 [0,0,0,1,0,1|1,1,0]=4 380 B8R1.51 CC1(O)CNC(=O)C1 OR21816 [0,0,0,1,0,1|2,0,0]=4 381 B8R1.77 CC1(C)CC1C(N)=O OR22745 [0,0,0,1,0,1|1,0,0]=3 382 B8R1.77 [C@H]1(C(N)=O)CC1(C)C OR9436 [0,0,0,1,0,1|1,0,0]=3 383 B8R1.1 NCC1CCC(=O)N1 OR953484 [0,1,0,1,0,0|2,0,0]=4 384 B8R1.1 O=C1CC(CO)CN1 OR300508 [0,1,0,1,0,0|1,0,0]=3 385 B8R1.1 O=C1CC[C@@H](CO)N1 OR350343 [0,1,0,1,0,0|2,0,0]=4 386 B8R1.1 O=C1CC[C@@H](CO)O1 OR42217 [0,1,0,1,0,0|2,0,0]=4 387 B8R1.1 O=C1CC[C@H](CO)N1 OR451180 [0,1,0,1,0,0|2,0,0]=4 388 B8R1.4 CC1CC(=O)CCO1 OR54543 [0,1,0,1,0,0|1,0,0]=3 389 B8R1.4 CN1CCCC(=O)C1 OR55488 [0,1,0,1,0,0|2,0,0]=4 390 B8R1.4 CN1CCCC(=O)C1 OR55582 [0,1,0,1,0,0|2,0,0]=4 391 B8R1.34 O=C(O)C=C1CCC1 OR317078 [0,1,0,1,0,0|0,0,2]=4 392 B8R1.34 O=C(O)CC1CCC1 OR312055 [0,1,0,1,0,0|0,0,0]=2 393 B8R1.40 O=C(CCl)NC1CC1 OR21284 [0,1,0,1,0,0|2,0,0]=4 394 B8R1.62 CC1(CO)CC(=O)C1 OR317302 [0,1,0,1,0,0|1,0,0]=3 395 B8R1.56 O=S(=O)(Cl)CC1CC1 OR70033 [0,1,0,1,0,0|1,0,1]=4 396 B8R1.50 CC1CCC(=O)C1=O OR28640 [0,1,0,1,0,0|1,0,1]=4 397 B8R1.50 O=C1OC[C@@H](O)[C@H]1O OR55152 [0,1,0,1,0,0|1,0,0]=3 398 B8R2.38 O=C1CCC2CC12 OR70212 [0,0,0,2,0,0|1,0,0]=3 399 B8R0.28 C=C(C)CCCC(=O)O OR16969 [0,0,0,0,0,2|0,0,2]=4 400 B8R0.28 CC(=O)CCCN(C)C OR22887 [0,0,0,0,0,2|2,0,0]=4