0 B6R0.3 C=C(C#N)C(=O)O DY741055 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.3 C=CC(C)C(=O)O DY559155 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.3 C=CC(O)C(=O)O DY586439 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.3 C=C[C@H](N)C(=O)O DY21080 [0,0,0,0,0,0|1,0,1]=2 4 B6R0.3 CC(=O)C(C)C=O DY459582 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.3 CC(C)[C@@H](N)CO NO22659 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.3 CC(C)[C@H](N)CO NO17224 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.3 CCC(=O)C(=O)O NO21626 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.3 CCC(N)C(=O)O NO14084 [0,0,0,0,0,0|1,0,0]=1 9 B6R0.3 CCC(O)C(=O)O DY562593 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.3 CCC(O)C(=O)[O-] DY557445 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.3 CC[C@@H](N)C(=O)O NO14054 [0,0,0,0,0,0|1,0,0]=1 12 B6R0.3 CC[C@@H](N)C(N)=O DY503559 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.3 CC[C@H](Br)C(=O)O DY624931 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.3 CC[C@H](N)C(=O)O NO13661 [0,0,0,0,0,0|1,0,0]=1 15 B6R0.3 CC[C@H](N)C(N)=O DY436006 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.3 CC[C@H](N)C(N)=O NO15891 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.3 CN[C@@H](C)C(=O)O DY628947 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.3 CN[C@@H](C)C(N)=O DY608441 [0,0,0,0,0,0|4,0,0]=4 19 B6R0.3 COC(C)C(=O)O NO14024 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.3 C[C@@H](CO)C(=O)O DY538785 [0,0,0,0,0,0|1,0,0]=1 21 B6R0.3 NC(=O)C(N)CO DY544785 [0,0,0,0,0,0|1,0,0]=1 22 B6R0.3 NC(=O)[C@@H](N)CO DY438160 [0,0,0,0,0,0|1,0,0]=1 23 B6R0.3 NC(=O)[C@H](N)CO DY504027 [0,0,0,0,0,0|1,0,0]=1 24 B6R0.3 NC(=O)\C(N)=N\O DY607877 [0,0,0,0,0,0|2,0,1]=3 25 B6R0.3 NC(CO)C(=O)O NO18949 [0,0,0,0,0,0|0,0,0]=0 26 B6R0.3 NC(CS)C(=O)O NO19655 [0,0,0,0,0,0|0,1,0]=1 27 B6R0.3 NCC(N)C(=O)O DY702709 [0,0,0,0,0,0|1,0,0]=1 28 B6R0.3 NCC(N)C(=O)O DY703093 [0,0,0,0,0,0|1,0,0]=1 29 B6R0.3 NCC(N)C(=O)O NO19624 [0,0,0,0,0,0|1,0,0]=1 30 B6R0.3 NC[C@@H](N)C(=O)O NO19672 [0,0,0,0,0,0|1,0,0]=1 31 B6R0.3 NC[C@@H](O)C(=O)O NO20294 [0,0,0,0,0,0|2,0,0]=2 32 B6R0.3 NC[C@H](N)C(=O)O NO14756 [0,0,0,0,0,0|1,0,0]=1 33 B6R0.3 N[C@@H](CCl)C(=O)O DY436850 [0,0,0,0,0,0|1,0,0]=1 34 B6R0.3 N[C@@H](CO)C(=O)O NO19144 [0,0,0,0,0,0|0,0,0]=0 35 B6R0.3 N[C@@H](CS)C(=O)O DY436887 [0,0,0,0,0,0|0,1,0]=1 36 B6R0.3 N[C@@H](CS)C(=O)O DY529455 [0,0,0,0,0,0|0,1,0]=1 37 B6R0.3 N[C@@H](CS)C(=O)O NO19113 [0,0,0,0,0,0|0,1,0]=1 38 B6R0.3 N[C@@H](CS)S(=O)O DY538851 [0,0,0,0,0,0|1,1,0]=2 39 B6R0.3 N[C@H](CO)C(=O)O NO14731 [0,0,0,0,0,0|0,0,0]=0 40 B6R0.3 N[C@H](CS)C(=O)O DY439001 [0,0,0,0,0,0|0,1,0]=1 41 B6R0.3 N[C@H](CS)C(=O)O NO19417 [0,0,0,0,0,0|0,1,0]=1 42 B6R0.3 O=C(O)C(Br)CBr NO15215 [0,0,0,0,0,0|2,0,0]=2 43 B6R0.3 O=C(O)C(Br)CF DY741307 [0,0,0,0,0,0|2,0,0]=2 44 B6R0.3 O=C(O)C(O)CCl DY10790 [0,0,0,0,0,0|2,0,0]=2 45 B6R0.3 O=C(O)[C@H](O)CS DY740539 [0,0,0,0,0,0|1,1,0]=2 46 B6R0.3 OCC(F)=C(F)F DY106204 [0,0,0,0,0,0|3,0,1]=4 47 B5R0.1 C=C(C)CCBr NO14513 [1,0,0,0,0,0|3,0,0]=4 48 B5R0.1 CC#CC(=O)O DY20776 [1,0,0,0,0,0|1,0,2]=4 49 B5R0.1 CC(=O)\C=N\O NO11520 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.1 CC(=O)\C=N\O NO18968 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.1 CC(N)CCO NO22096 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.1 CCCB(O)O NO14802 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.1 CCCC(=O)[O-] DY822775 [1,0,0,0,0,0|1,0,1]=3 54 B5R0.1 CCCC(C)=O NO21731 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.1 CCCC(C)O DY741013 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.1 CCNC(C)=O DY564051 [1,0,0,0,0,0|3,0,0]=4 57 B5R0.1 CN(C)CCO NO11733 [1,0,0,0,0,0|3,0,0]=4 58 B5R0.1 CNCC(=O)O NO18595 [1,0,0,0,0,0|2,0,0]=3 59 B5R0.1 COCC(=O)O NO11579 [1,0,0,0,0,0|2,0,0]=3 60 B5R0.1 CSCC(=O)O DY543879 [1,0,0,0,0,0|2,0,0]=3 61 B5R0.1 CSCC(N)=O NO12608 [1,0,0,0,0,0|3,0,0]=4 62 B5R0.1 C[C@@H](N)CCO NO14355 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.1 C[C@H](N)CCO DY625189 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.1 C[C@H](N)CCO NO14356 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.1 C\C=C\C(=O)O DY41882 [1,0,0,0,0,0|1,0,2]=4 66 B5R0.1 N#CCC(=O)Cl DY740377 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.1 N#CCC(N)=O NO18594 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.1 NCCC(=O)O NO13499 [1,0,0,0,0,0|1,0,0]=2 69 B5R0.1 O=C(O)OCCl DY523719 [1,0,0,0,0,0|2,0,0]=3 70 B5R0.3 C=C(CO)CO NO21689 [1,0,0,0,0,0|1,0,2]=4 71 B5R0.3 C=CC(Cl)CCl DY740791 [1,0,0,0,0,0|3,0,0]=4 72 B5R0.3 C=CC(N)CO DY579231 [1,0,0,0,0,0|1,0,0]=2 73 B5R0.3 C=C[C@H](O)CO DY625759 [1,0,0,0,0,0|2,0,0]=3 74 B5R0.3 CCC(N)CO DY20718 [1,0,0,0,0,0|1,0,1]=3 75 B5R0.3 CCC(N)CO DY741331 [1,0,0,0,0,0|1,0,1]=3 76 B5R0.3 CCC(O)CO DY822703 [1,0,0,0,0,0|2,0,1]=4 77 B5R0.3 CC[C@@H](N)CO NO15119 [1,0,0,0,0,0|1,0,1]=3 78 B5R0.3 CC[C@H](N)CO DY10528 [1,0,0,0,0,0|1,0,1]=3 79 B5R0.3 CC[C@H](O)CO NO15622 [1,0,0,0,0,0|2,0,1]=4 80 B5R0.3 CO[C@H](C)CO NO12306 [1,0,0,0,0,0|3,0,0]=4 81 B5R0.3 NC(CO)CO NO18352 [1,0,0,0,0,0|0,0,1]=2 82 B5R0.3 NCC(O)CO NO18397 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.3 NC[C@@H](O)CO NO14832 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.3 NC[C@H](O)CO DY20311 [1,0,0,0,0,0|2,0,1]=4 85 B5R0.3 O=C(CO)CO NO11245 [1,0,0,0,0,0|1,0,2]=4 86 B5R0.3 O=CC(Br)C=O NO18151 [1,0,0,0,0,0|1,0,2]=4 87 B5R0.3 OC[C@@H](O)CCl NO15061 [1,0,0,0,0,0|2,0,1]=4 88 B5R0.3 OC[C@H](O)CCl DY20314 [1,0,0,0,0,0|2,0,1]=4 89 B5R0.5 C=C(C)C(=O)O DY740707 [1,0,0,0,0,0|1,0,1]=3 90 B5R0.5 CC(=O)C(C)C DY740329 [1,0,0,0,0,0|2,0,0]=3 91 B5R0.5 CC(=O)C(C)Cl DY740749 [1,0,0,0,0,0|2,0,0]=3 92 B5R0.5 CC(C)B(O)O DY454222 [1,0,0,0,0,0|2,0,1]=4 93 B5R0.5 CC(C)C(N)=O NO21696 [1,0,0,0,0,0|2,0,0]=3 94 B5R0.5 CC(O)C(N)=O DY538347 [1,0,0,0,0,0|2,0,0]=3 95 B5R0.5 C[C@@H](Br)C(=O)O DY788601 [1,0,0,0,0,0|1,0,0]=2 96 B5R0.5 C[C@@H](N)C(N)=O NO15732 [1,0,0,0,0,0|1,0,0]=2 97 B5R0.5 C[C@@H](O)C(=O)[O-] DY580071 [1,0,0,0,0,0|1,0,1]=3 98 B5R0.5 C[C@H](Br)C(=O)O DY20444 [1,0,0,0,0,0|1,0,0]=2 99 B5R0.5 C[C@H](Cl)C(=O)O DY20315 [1,0,0,0,0,0|1,0,0]=2 100 B5R0.5 C[C@H](N)C(=O)O NO19143 [1,0,0,0,0,0|0,0,0]=1 101 B5R0.5 C[C@H](N)C(=O)S DY572427 [1,0,0,0,0,0|0,1,0]=2 102 B5R0.5 C[C@H](N)C(N)=O NO22529 [1,0,0,0,0,0|1,0,0]=2 103 B5R0.5 C[C@H](O)C(N)=O DY624997 [1,0,0,0,0,0|2,0,0]=3 104 B5R0.5 N=C(N)S(=O)O DY531987 [1,0,0,0,0,0|2,0,1]=4 105 B5R0.5 NC(=O)C(N)=O DY20822 [1,0,0,0,0,0|1,0,2]=4 106 B5R0.5 O=C(Cl)C(F)Cl DY794697 [1,0,0,0,0,0|3,0,0]=4 107 B5R0.5 O=C(O)C(=O)O DY563517 [1,0,0,0,0,0|1,0,1]=3 108 B5R0.5 O=C(O)C(=O)O DY822364 [1,0,0,0,0,0|1,0,1]=3 109 B5R0.5 O=C(O)C(=O)O NO11387 [1,0,0,0,0,0|1,0,1]=3 110 B5R0.5 O=C(O)C(Cl)Cl DY740833 [1,0,0,0,0,0|2,0,0]=3 111 B5R0.5 O=C([O-])C(=O)O DY822607 [1,0,0,0,0,0|1,0,2]=4 112 B5R0.5 O=C([O-])C(Cl)Cl DY21032 [1,0,0,0,0,0|2,0,1]=4 113 B5R0.5 [13CH3]C(N)C(=O)O DY454719 [1,0,0,0,0,0|0,0,0]=1 114 B7R0.5 C#CC[C@@H](N)C(=O)O DY21037 [0,1,0,0,0,0|1,0,0]=2 115 B7R0.5 C#CC[C@H](N)C(=O)O NO13900 [0,1,0,0,0,0|1,0,0]=2 116 B7R0.5 CCCC(C)C(C)=O DY740965 [0,1,0,0,0,0|3,0,0]=4 117 B7R0.5 CCC[C@@H](N)C(=O)O NO10518 [0,1,0,0,0,0|1,0,0]=2 118 B7R0.5 CCC[C@H](N)C(=O)O NO17028 [0,1,0,0,0,0|1,0,0]=2 119 B7R0.5 COC[C@@H](N)C(=O)O NO12183 [0,1,0,0,0,0|0,0,0]=1 120 B7R0.5 COC[C@H](N)C(=O)O NO16755 [0,1,0,0,0,0|0,0,0]=1 121 B7R0.5 COC[C@H](N)C(=O)O NO20335 [0,1,0,0,0,0|0,0,0]=1 122 B7R0.5 NC(CCO)C(=O)O NO13886 [0,1,0,0,0,0|0,0,0]=1 123 B7R0.5 NCCC(N)C(=O)O DY700789 [0,1,0,0,0,0|1,0,0]=2 124 B7R0.5 NCCC(N)C(=O)O NO15080 [0,1,0,0,0,0|1,0,0]=2 125 B7R0.5 NCCC(O)C(=O)O NO15496 [0,1,0,0,0,0|2,0,0]=3 126 B7R0.5 NCC[C@@H](O)C(=O)O DY703039 [0,1,0,0,0,0|2,0,0]=3 127 B7R0.5 NCC[C@H](N)C(=O)O DY439091 [0,1,0,0,0,0|1,0,0]=2 128 B7R0.5 NCC[C@H](O)C(=O)O NO21759 [0,1,0,0,0,0|2,0,0]=3 129 B7R0.5 N[C@@H](CCO)C(=O)O NO22620 [0,1,0,0,0,0|0,0,0]=1 130 B7R0.5 N[C@H](CCO)C(=O)O NO16701 [0,1,0,0,0,0|0,0,0]=1 131 B7R0.10 C=C(CBr)C(=O)OC NO11592 [0,1,0,0,0,0|2,0,1]=4 132 B7R0.10 C=C(CC)C(=O)OC DY541119 [0,1,0,0,0,0|2,0,1]=4 133 B7R0.10 CCC(Br)C(=O)OC NO14136 [0,1,0,0,0,0|2,0,0]=3 134 B7R0.10 CC[C@H](C)[C@H](N)CO NO18903 [0,1,0,0,0,0|2,0,1]=4 135 B7R0.10 COC(=O)C(=O)CBr NO15824 [0,1,0,0,0,0|2,0,1]=4 136 B7R0.10 COC(=O)C(Br)CBr DY740875 [0,1,0,0,0,0|2,0,0]=3 137 B7R0.10 COC(=O)C(C)OC DY822756 [0,1,0,0,0,0|3,0,0]=4 138 B7R0.10 COC(=O)C(F)CO NO17081 [0,1,0,0,0,0|1,0,0]=2 139 B7R0.10 COC(=O)C(N)CCl NO22615 [0,1,0,0,0,0|1,0,0]=2 140 B7R0.10 COC(=O)C(N)CO NO16785 [0,1,0,0,0,0|0,0,0]=1 141 B7R0.10 COC(=O)[C@@H](N)CO DY700116 [0,1,0,0,0,0|0,0,0]=1 142 B7R0.10 COC(=O)[C@@H](N)CO NO22621 [0,1,0,0,0,0|0,0,0]=1 143 B7R0.10 COC(=O)[C@@H](O)CO DY429048 [0,1,0,0,0,0|1,0,0]=2 144 B7R0.10 COC(=O)[C@H](N)CO NO16778 [0,1,0,0,0,0|0,0,0]=1 145 B7R0.10 NNC(=O)[C@@H](N)CO DY624415 [0,1,0,0,0,0|1,0,0]=2 146 B7R0.10 O=C[C@H](O)[C@H](O)CO DY561741 [0,1,0,0,0,0|1,0,1]=3 147 B7R0.10 OC\C(Br)=C(/Br)CO DY741031 [0,1,0,0,0,0|2,0,1]=4 148 B7R0.13 CC(C)(CN)C(=O)O DY535611 [0,1,0,0,0,0|2,0,0]=3 149 B7R0.13 CC(C)(CN)C(N)=O NO22038 [0,1,0,0,0,0|3,0,0]=4 150 B7R0.13 CC(C)(CO)C(=O)O NO19743 [0,1,0,0,0,0|1,0,0]=2 151 B7R0.13 CC(N)(CO)C(=O)O DY559497 [0,1,0,0,0,0|0,0,0]=1 152 B7R0.13 CCC(C)(C)C(C)=O DY792897 [0,1,0,0,0,0|3,0,0]=4 153 B7R0.13 CCC(C)(N)C(=O)O DY628689 [0,1,0,0,0,0|1,0,0]=2 154 B7R0.13 C[C@](O)(CBr)C(=O)O NO14051 [0,1,0,0,0,0|2,0,0]=3 155 B7R0.15 CCC(CC)C(=O)[O-] DY21097 [0,1,0,0,0,0|2,0,1]=4 156 B7R0.15 CC[C@H](CO)C(=O)O DY621945 [0,1,0,0,0,0|1,0,0]=2 157 B7R0.16 CC(=O)C(N)C(=O)O DY700663 [0,1,0,0,0,0|0,0,2]=3 158 B7R0.16 CC(Br)C(Br)C(=O)O DY822548 [0,1,0,0,0,0|2,0,0]=3 159 B7R0.16 CC(C)[C@@H](N)C(N)=O NO11445 [0,1,0,0,0,0|2,0,0]=3 160 B7R0.16 CC(C)[C@H](N)C(=O)O NO19285 [0,1,0,0,0,0|1,0,0]=2 161 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O NO22619 [0,1,0,0,0,0|0,0,0]=1 162 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O DY438202 [0,1,0,0,0,0|1,0,0]=2 163 B7R0.16 C[C@H](C(=O)O)N(C)C DY608460 [0,1,0,0,0,0|3,0,0]=4 164 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O DY702847 [0,1,0,0,0,0|1,0,0]=2 165 B7R0.16 C[C@H](O)[C@H](N)C(=O)O NO16722 [0,1,0,0,0,0|0,0,0]=1 166 B7R0.16 O=C(O)C(=O)C(Br)Br NO18490 [0,1,0,0,0,0|2,0,1]=4 167 B7R1.4 CC1CCOC1=O DY759320 [0,0,0,1,0,0|2,0,0]=3 168 B7R1.4 C[C@@H]1CCNC1=O DY546075 [0,0,0,1,0,0|3,0,0]=4 169 B7R1.4 C[C@H]1CCNC1=O DY560337 [0,0,0,1,0,0|3,0,0]=4 170 B7R1.4 NC1CCCC1O NO19404 [0,0,0,1,0,0|2,0,1]=4 171 B7R1.4 NC1CONC1=O NO19264 [0,0,0,1,0,0|1,0,0]=2 172 B7R1.4 NN1CCOC1=O DY774063 [0,0,0,1,0,0|2,0,0]=3 173 B7R1.4 N[C@@H]1CCC[C@@H]1O NO18884 [0,0,0,1,0,0|2,0,1]=4 174 B7R1.4 N[C@@H]1CCC[C@H]1O DY567117 [0,0,0,1,0,0|2,0,1]=4 175 B7R1.4 N[C@@H]1CCOC1=O NO18578 [0,0,0,1,0,0|1,0,0]=2 176 B7R1.4 N[C@@H]1COC[C@@H]1F DY539427 [0,0,0,1,0,0|2,0,1]=4 177 B7R1.4 N[C@@H]1COC[C@H]1N DY444023 [0,0,0,1,0,0|2,0,1]=4 178 B7R1.4 N[C@@H]1COC[C@H]1O DY105386 [0,0,0,1,0,0|1,0,1]=3 179 B7R1.4 N[C@@H]1CONC1=O NO22528 [0,0,0,1,0,0|1,0,0]=2 180 B7R1.4 N[C@@H]1CSC[C@H]1O DY559281 [0,0,0,1,0,0|1,1,1]=4 181 B7R1.4 N[C@H]1CCC[C@@H]1O NO15594 [0,0,0,1,0,0|2,0,1]=4 182 B7R1.4 N[C@H]1CCC[C@H]1O NO11147 [0,0,0,1,0,0|2,0,1]=4 183 B7R1.4 N[C@H]1CCOC1=O DY541269 [0,0,0,1,0,0|1,0,0]=2 184 B7R1.4 N[C@H]1COC[C@@H]1O DY586645 [0,0,0,1,0,0|1,0,1]=3 185 B7R1.4 O=C1CCCC1Cl DY567621 [0,0,0,1,0,0|3,0,0]=4 186 B7R1.4 O=C1NCCC1O DY444274 [0,0,0,1,0,0|3,0,0]=4 187 B7R1.4 O=C1NCC[C@@H]1O NO19486 [0,0,0,1,0,0|3,0,0]=4 188 B7R1.4 O=C1NCC[C@H]1O DY115910 [0,0,0,1,0,0|3,0,0]=4 189 B7R1.12 O=C(O)[C@@H]1C[C@@H]1O DY758659 [0,0,0,1,0,0|1,0,0]=2 190 B7R1.12 O=C(O)[C@@H]1C[C@H]1O DY758671 [0,0,0,1,0,0|1,0,0]=2 191 B7R1.12 O=C(O)[C@H]1C[C@H]1F DY21162 [0,0,0,1,0,0|2,0,0]=3 192 B7R1.18 C[C@@H](O)C1COC1 DY586622 [0,0,0,1,0,0|2,0,1]=4 193 B7R1.18 C[C@H](O)C1COC1 DY586621 [0,0,0,1,0,0|2,0,1]=4 194 B7R1.18 NC(=O)C1CNC1 DY10515 [0,0,0,1,0,0|3,0,0]=4 195 B7R1.18 NC(=O)C1CNC1 DY10516 [0,0,0,1,0,0|3,0,0]=4 196 B7R1.18 O=C(O)C1CCC1 NO22786 [0,0,0,1,0,0|2,0,0]=3 197 B7R1.18 O=C(O)C1CCN1 NO18844 [0,0,0,1,0,0|1,0,0]=2 198 B7R1.18 O=C(O)C1CNC1 NO16485 [0,0,0,1,0,0|2,0,0]=3 199 B7R1.18 O=C(O)C1COC1 NO22389 [0,0,0,1,0,0|1,0,0]=2 200 B7R1.18 O=C(O)[C@@H]1CCN1 DY718876 [0,0,0,1,0,0|1,0,0]=2 201 B7R1.18 O=C(O)[C@H]1CCN1 NO16493 [0,0,0,1,0,0|1,0,0]=2 202 B7R1.18 O=C(O)[C@H]1CCN1 NO16972 [0,0,0,1,0,0|1,0,0]=2 203 B7R1.19 NC1(C(=O)O)CC1 DY567315 [0,0,0,1,0,0|1,0,0]=2 204 B7R1.19 NC1(C(=O)O)CC1 NO16477 [0,0,0,1,0,0|1,0,0]=2 205 B7R1.19 O=C(O)C1(Br)CC1 NO15760 [0,0,0,1,0,0|2,0,0]=3 206 B7R1.19 O=C(O)C1(F)CC1 NO13809 [0,0,0,1,0,0|2,0,0]=3 207 B7R1.22 N[C@@H](CO)C1CC1 DY515775 [0,0,0,1,0,0|2,0,1]=4 208 B7R0.2 CC(=O)OC(Br)CBr DY793431 [0,0,0,0,0,1|3,0,0]=4 209 B7R0.2 CC(C)C[C@@H](N)CO NO14853 [0,0,0,0,0,1|2,0,1]=4 210 B7R0.2 CC(C)C[C@H](N)CO NO19307 [0,0,0,0,0,1|2,0,1]=4 211 B7R0.2 CC[C@@H](N)CC(=O)O DY628125 [0,0,0,0,0,1|1,0,0]=2 212 B7R0.2 CC[C@@H](N)CC(=O)O DY700188 [0,0,0,0,0,1|1,0,0]=2 213 B7R0.2 CN(C)CC(N)CO DY533205 [0,0,0,0,0,1|3,0,0]=4 214 B7R0.2 CNC(C)CC(=O)O DY606375 [0,0,0,0,0,1|3,0,0]=4 215 B7R0.2 NC[C@@H](F)C[PH](=O)O DY549963 [0,0,0,0,0,1|3,0,0]=4 216 B7R0.2 NC[C@H](O)CC(=O)O NO16710 [0,0,0,0,0,1|2,0,0]=3 217 B4R0.1 CC(=O)CBr DY20986 [2,0,0,0,0,0|2,0,0]=4 218 B4R0.1 CC(=O)CN NO10921 [2,0,0,0,0,0|1,0,0]=3 219 B4R0.1 CC(=O)CO NO11467 [2,0,0,0,0,0|1,0,0]=3 220 B4R0.1 CC(=O)NN NO10881 [2,0,0,0,0,0|2,0,0]=4 221 B4R0.1 CC(=O)NO NO14961 [2,0,0,0,0,0|2,0,0]=4 222 B4R0.1 CC(C)CO DY740701 [2,0,0,0,0,0|1,0,1]=4 223 B4R0.1 CC(N)C#N DY568905 [2,0,0,0,0,0|1,0,1]=4 224 B4R0.1 CC(N)C#N DY741121 [2,0,0,0,0,0|1,0,1]=4 225 B4R0.1 CC(N)CO NO21310 [2,0,0,0,0,0|0,0,1]=3 226 B4R0.1 CC(O)CCl DY586846 [2,0,0,0,0,0|2,0,0]=4 227 B4R0.1 CCB(O)O NO13979 [2,0,0,0,0,0|1,0,1]=4 228 B4R0.1 CCC(N)=O NO11886 [2,0,0,0,0,0|1,0,0]=3 229 B4R0.1 COC(N)=O NO11667 [2,0,0,0,0,0|2,0,0]=4 230 B4R0.1 C[C@@H](Cl)CO NO20251 [2,0,0,0,0,0|1,0,1]=4 231 B4R0.1 C[C@@H](N)CN DY10147 [2,0,0,0,0,0|1,0,1]=4 232 B4R0.1 C[C@@H](N)CO NO14182 [2,0,0,0,0,0|0,0,1]=3 233 B4R0.1 C[C@@H](O)CCl DY20696 [2,0,0,0,0,0|2,0,0]=4 234 B4R0.1 C[C@@H](O)CO DY20330 [2,0,0,0,0,0|1,0,0]=3 235 B4R0.1 C[C@H](N)CN NO20323 [2,0,0,0,0,0|1,0,1]=4 236 B4R0.1 C[C@H](N)CO DY624919 [2,0,0,0,0,0|0,0,1]=3 237 B4R0.1 C[C@H](N)CO NO19476 [2,0,0,0,0,0|0,0,1]=3 238 B4R0.1 C[C@H](O)CCl DY20697 [2,0,0,0,0,0|2,0,0]=4 239 B4R0.1 C[C@H](O)CN NO14075 [2,0,0,0,0,0|1,0,1]=4 240 B4R0.1 C\C(N)=N\O NO10879 [2,0,0,0,0,0|1,0,1]=4 241 B4R0.1 NC(=O)CBr NO21389 [2,0,0,0,0,0|1,0,1]=4 242 B4R0.1 NC(=O)CS DY570543 [2,0,0,0,0,0|0,1,1]=4 243 B4R0.1 NCC(=O)O NO19951 [2,0,0,0,0,0|0,0,0]=2 244 B4R0.1 NCC(=O)[O-] DY20522 [2,0,0,0,0,0|0,0,1]=3 245 B4R0.1 NCC(=O)[O-] DY795873 [2,0,0,0,0,0|0,0,1]=3 246 B4R0.1 NCC(=O)[O-] NO10910 [2,0,0,0,0,0|0,0,1]=3 247 B4R0.1 NCC(N)=O NO13806 [2,0,0,0,0,0|1,0,0]=3 248 B4R0.1 NNC(N)=O NO11949 [2,0,0,0,0,0|2,0,0]=4 249 B4R0.1 O=C(Br)CBr DY796737 [2,0,0,0,0,0|2,0,0]=4 250 B4R0.1 O=C(Cl)CBr DY21000 [2,0,0,0,0,0|2,0,0]=4 251 B4R0.1 O=C(O)CO NO19334 [2,0,0,0,0,0|0,0,0]=2 252 B4R0.1 O=C([O-])CS DY822459 [2,0,0,0,0,0|0,1,1]=4 253 B4R0.1 O=S([O-])CO NO11936 [2,0,0,0,0,0|1,0,1]=4 254 B4R0.1 OCC(F)F NO20974 [2,0,0,0,0,0|2,0,0]=4 255 B4R0.2 C#CCCO DY580491 [2,0,0,0,0,0|1,0,1]=4 256 B4R0.2 C=CCCN DY740341 [2,0,0,0,0,0|2,0,0]=4 257 B4R0.2 CNCCO NO20910 [2,0,0,0,0,0|2,0,0]=4 258 B4R0.2 COCC=O DY740317 [2,0,0,0,0,0|2,0,0]=4 259 B4R0.2 COCCO DY457570 [2,0,0,0,0,0|2,0,0]=4 260 B4R0.2 OCCCF DY822290 [2,0,0,0,0,0|1,0,1]=4 261 B6R0.1 C=CC(=O)NCO DY580281 [1,1,0,0,0,0|2,0,0]=4 262 B6R0.1 CCCC(=O)NN NO22544 [1,1,0,0,0,0|2,0,0]=4 263 B6R0.1 CCOC(=O)CO NO11386 [1,1,0,0,0,0|2,0,0]=4 264 B6R0.1 COC(=N)CCCl DY799605 [1,1,0,0,0,0|2,0,0]=4 265 B6R0.1 COC(=O)CC=O DY740485 [1,1,0,0,0,0|0,0,2]=4 266 B6R0.1 COC(=O)CCCl DY741043 [1,1,0,0,0,0|1,0,0]=3 267 B6R0.1 COC(=O)CCN NO22266 [1,1,0,0,0,0|1,0,0]=3 268 B6R0.1 COC(=O)CSC DY460536 [1,1,0,0,0,0|2,0,0]=4 269 B6R0.1 N\C(CCO)=N/O DY607623 [1,1,0,0,0,0|1,0,0]=3 270 B6R0.1 O=C(CCl)NCO NO14580 [1,1,0,0,0,0|2,0,0]=4 271 B6R0.2 CC(O)CC(=O)[O-] DY460020 [1,1,0,0,0,0|0,0,1]=3 272 B6R0.2 CN(C)CC(=O)O NO13413 [1,1,0,0,0,0|2,0,0]=4 273 B6R0.2 C[C@@H](N)CC(=O)O NO19028 [1,1,0,0,0,0|1,0,0]=3 274 B6R0.2 C[C@@H](O)CC(=O)[O-] NO20253 [1,1,0,0,0,0|0,0,1]=3 275 B6R0.2 C[C@H](N)CC(=O)O NO20346 [1,1,0,0,0,0|1,0,0]=3 276 B6R0.2 C[C@H](O)CC(=O)O DY426021 [1,1,0,0,0,0|0,0,0]=2 277 B6R0.2 C[C@H](O)CC(=O)[O-] DY791133 [1,1,0,0,0,0|0,0,1]=3 278 B6R0.4 C#CCCC(=O)O DY428029 [1,1,0,0,0,0|1,0,0]=3 279 B6R0.4 C=CCCC(=O)O NO15216 [1,1,0,0,0,0|1,0,0]=3 280 B6R0.4 CC(=O)CCCBr NO10305 [1,1,0,0,0,0|2,0,0]=4 281 B6R0.4 CC(=O)CCCCl NO10334 [1,1,0,0,0,0|2,0,0]=4 282 B6R0.4 CC(=O)NCCCl DY33011 [1,1,0,0,0,0|2,0,0]=4 283 B6R0.4 COCCC(=N)N DY569565 [1,1,0,0,0,0|2,0,0]=4 284 B6R0.4 CSCCC(C)=O DY740809 [1,1,0,0,0,0|1,1,0]=4 285 B6R0.4 N#CCCC(=O)O NO22262 [1,1,0,0,0,0|1,0,0]=3 286 B6R0.4 NCCCC(=O)O NO14998 [1,1,0,0,0,0|1,0,0]=3 287 B6R0.4 NCCNC(=O)O DY822495 [1,1,0,0,0,0|1,0,0]=3 288 B6R0.4 NC\C=C\C(=O)O DY552195 [1,1,0,0,0,0|1,0,1]=4 289 B6R0.4 O=C(O)CCCBr NO14053 [1,1,0,0,0,0|1,0,0]=3 290 B6R0.5 O=S(=O)(O)CCO DY504969 [1,1,0,0,0,0|1,0,0]=3 291 B6R0.8 C=CC(C)(N)CO DY500685 [1,1,0,0,0,0|1,0,0]=3 292 B6R0.8 CC(C)(C=O)CO DY21089 [1,1,0,0,0,0|1,0,0]=3 293 B6R0.8 CC(C)(CO)CO DY514971 [1,1,0,0,0,0|1,0,1]=4 294 B6R0.8 CC(N)(C#N)CO DY512793 [1,1,0,0,0,0|1,0,1]=4 295 B6R0.9 C=CC(CC)CO DY822489 [1,1,0,0,0,0|2,0,0]=4 296 B6R0.7 CC(=O)C(C)(C)Cl DY741007 [1,1,0,0,0,0|2,0,0]=4 297 B6R0.7 CC(C)(Br)C(=O)O NO21332 [1,1,0,0,0,0|1,0,0]=3 298 B6R0.7 CC(C)(C)C(=O)O NO11866 [1,1,0,0,0,0|1,0,0]=3 299 B6R0.7 CC(C)(C)C(=O)[O-] DY504753 [1,1,0,0,0,0|1,0,1]=4 300 B6R0.7 CC(C)(N)C(=O)O NO15358 [1,1,0,0,0,0|0,0,0]=2 301 B6R0.7 CC(C)(N)C(N)=O DY609020 [1,1,0,0,0,0|1,0,0]=3 302 B6R0.7 O=C(O)C(Br)(Br)Br DY822346 [1,1,0,0,0,0|2,0,0]=4 303 B6R0.7 O=C(O)C(Cl)(Cl)Cl DY565503 [1,1,0,0,0,0|2,0,0]=4 304 B6R0.7 O=C(O)C(F)(F)F DY684994 [1,1,0,0,0,0|2,0,0]=4 305 B6R0.7 [2H]C(C)(N)C(=O)O DY454695 [1,1,0,0,0,0|0,0,0]=2 306 B8R0.2 O=C([O-])[C@H](O)[C@@H](O)CO NO13317 [0,1,0,0,0,1|1,0,1]=4 307 B8R0.2 O=C([O-])[C@H](O)[C@H](O)CO DY577845 [0,1,0,0,0,1|1,0,1]=4 308 B8R0.5 COCC(C)OC(C)=O DY822378 [0,1,0,0,0,1|2,0,0]=4 309 B8R0.19 CC[C@H](N)CC(=O)OC DY628425 [0,1,0,0,0,1|1,0,0]=3 310 B8R0.19 COC(=O)C[C@@H](O)CCl NO18252 [0,1,0,0,0,1|2,0,0]=4 311 B8R0.19 COC(=O)C[C@H](O)CO DY627328 [0,1,0,0,0,1|1,0,0]=3 312 B8R0.23 CC(C)C(C)CC(=O)O DY112320 [0,1,0,0,0,1|2,0,0]=4 313 B8R0.23 CC(CC(=O)O)C(=O)O DY556815 [0,1,0,0,0,1|1,0,1]=4 314 B8R0.23 NC(=O)C[C@@H](N)C(=O)O NO19152 [0,1,0,0,0,1|1,0,1]=4 315 B8R0.23 NC(CC(=O)O)C(=O)O DY793569 [0,1,0,0,0,1|0,0,1]=3 316 B8R0.23 N[C@H](CC(=O)O)C(=O)O DY563601 [0,1,0,0,0,1|0,0,1]=3 317 B8R0.23 N[C@H](CC(=O)O)C(=O)O NO18065 [0,1,0,0,0,1|0,0,1]=3 318 B8R0.23 O=C(O)CC(O)C(=O)O NO11286 [0,1,0,0,0,1|1,0,1]=4 319 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O DY622059 [0,1,0,0,0,1|1,0,1]=4 320 B8R0.23 O=C(O)C[C@@H](O)C(=O)O DY20429 [0,1,0,0,0,1|1,0,1]=4 321 B8R0.23 O=C(O)C[C@H](S)C(=O)O DY625003 [0,1,0,0,0,1|1,0,1]=4 322 B8R0.34 CC(C)(CN)CC(=O)O DY578367 [0,1,0,0,0,1|2,0,0]=4 323 B8R0.3 C=C(CO)C(=O)OCC NO20908 [0,2,0,0,0,0|1,0,1]=4 324 B8R0.3 C=CC[C@@H](N)C(=O)OC DY628161 [0,2,0,0,0,0|1,0,0]=3 325 B8R0.3 CCNC(=O)[C@@H](N)CC DY116564 [0,2,0,0,0,0|2,0,0]=4 326 B8R0.3 CCOC(=O)C(Br)CBr DY551433 [0,2,0,0,0,0|2,0,0]=4 327 B8R0.3 CCOC(=O)C(N)CO DY439193 [0,2,0,0,0,0|0,0,0]=2 328 B8R0.3 CCOC(=O)[C@@H](N)CO DY553761 [0,2,0,0,0,0|0,0,0]=2 329 B8R0.3 CCOC(=O)[C@@H](N)CO NO17107 [0,2,0,0,0,0|0,0,0]=2 330 B8R0.3 CCOC(=O)[C@H](N)CO NO13449 [0,2,0,0,0,0|0,0,0]=2 331 B8R0.3 O=CC[C@H](O)[C@H](O)CO NO21863 [0,2,0,0,0,0|1,0,1]=4 332 B8R0.8 CCCC[C@H](C)C(=O)O DY585471 [0,2,0,0,0,0|2,0,0]=4 333 B8R0.8 CSCCC(N)C(=O)O DY500936 [0,2,0,0,0,0|0,1,0]=3 334 B8R0.8 CSCC[C@H](N)C(=O)O NO18644 [0,2,0,0,0,0|0,1,0]=3 335 B8R0.8 NCCC[C@@H](N)C(=O)O DY550209 [0,2,0,0,0,0|1,0,0]=3 336 B8R0.8 NCCC[C@H](N)C(=O)O NO22279 [0,2,0,0,0,0|1,0,0]=3 337 B8R0.12 C=CCC(C)(C)C(=O)O DY20650 [0,2,0,0,0,0|2,0,0]=4 338 B8R0.15 CCC[C@H](CN)C(=O)O DY701509 [0,2,0,0,0,0|1,0,0]=3 339 B8R0.13 COC(=O)C(C)(C)CCl DY584317 [0,2,0,0,0,0|2,0,0]=4 340 B8R0.13 COC(=O)C(C)(C)CO NO11468 [0,2,0,0,0,0|1,0,0]=3 341 B8R0.20 CN[C@@H](CO)C(=O)OC DY435501 [0,2,0,0,0,0|0,0,0]=2 342 B8R0.36 CC(CO)(CO)C(=O)O NO20965 [0,2,0,0,0,0|1,0,0]=3 343 B8R0.36 CCC(C)(CC)C(=O)O DY105694 [0,2,0,0,0,0|2,0,0]=4 344 B8R0.36 O=C(O)C(F)(CF)OF DY790983 [0,2,0,0,0,0|2,0,0]=4 345 B8R0.37 CC(C)C(C)(N)C(N)=O NO14313 [0,2,0,0,0,0|2,0,0]=4 346 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O DY515811 [0,2,0,0,0,0|0,0,0]=2 347 B8R0.27 CC(C(=O)O)C(C)(C)C DY585455 [0,2,0,0,0,0|2,0,0]=4 348 B8R0.27 CC(C)(C)C(N)C(=O)O NO18608 [0,2,0,0,0,0|1,0,0]=3 349 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O NO18601 [0,2,0,0,0,0|1,0,0]=3 350 B8R0.27 CC(C)(C)[C@H](N)C(=O)O NO18605 [0,2,0,0,0,0|1,0,0]=3 351 B8R0.27 CC(C)(O)[C@H](N)C(=O)O DY542709 [0,2,0,0,0,0|0,0,0]=2 352 B8R0.27 C[C@H](C(=O)O)C(C)(C)C DY585444 [0,2,0,0,0,0|2,0,0]=4 353 B8R0.27 NC(C(=O)O)C(F)(F)F DY429270 [0,2,0,0,0,0|1,0,0]=3 354 B8R0.18 CC(C)[C@H](CN)C(=O)O DY539799 [0,2,0,0,0,0|1,0,0]=3 355 B6R1.2 O=C1CCCC1 DY21085 [1,0,0,1,0,0|2,0,0]=4 356 B6R1.2 O=C1CCNC1 NO22412 [1,0,0,1,0,0|2,0,0]=4 357 B6R1.2 O=C1CCOC1 NO18178 [1,0,0,1,0,0|1,0,0]=3 358 B6R1.2 O=C1CCSC1 DY20305 [1,0,0,1,0,0|1,1,0]=4 359 B6R1.2 O[C@@H]1CCOC1 NO20284 [1,0,0,1,0,0|1,0,1]=4 360 B6R1.5 C=C1CC(=O)O1 DY732691 [1,0,0,1,0,0|1,0,1]=4 361 B6R1.5 NC1CC(=O)C1 DY444232 [1,0,0,1,0,0|2,0,0]=4 362 B6R1.5 NC1CC(=O)C1 DY756175 [1,0,0,1,0,0|2,0,0]=4 363 B6R1.11 NC(=O)C1CC1 NO16456 [1,0,0,1,0,0|2,0,0]=4 364 B6R1.11 O=C(O)C1CC1 NO13839 [1,0,0,1,0,0|1,0,0]=3 365 B6R1.11 O=C([O-])C1CO1 NO17514 [1,0,0,1,0,0|0,0,1]=3 366 B6R1.11 O=C([O-])[C@@H]1CO1 DY627493 [1,0,0,1,0,0|0,0,1]=3 367 B6R1.11 O=S(O)C1CC1 DY586549 [1,0,0,1,0,0|2,0,0]=4 368 B6R1.4 CC1OCC1N DY732961 [1,0,0,1,0,0|1,0,1]=4 369 B6R1.4 NN1CCC1=O DY585858 [1,0,0,1,0,0|2,0,0]=4 370 B6R1.6 OCC1COC1 NO14670 [1,0,0,1,0,0|1,0,1]=4 371 B6R1.6 OC[C@@H]1CCN1 NO15230 [1,0,0,1,0,0|1,0,1]=4 372 B6R1.7 C[C@@]1(CO)CO1 DY575949 [1,0,0,1,0,0|1,0,1]=4 373 B6R1.7 NC1(CO)CC1 NO13349 [1,0,0,1,0,0|1,0,1]=4 374 B8R1.1 CCC1COC(=O)N1 DY607707 [0,0,0,1,0,1|2,0,0]=4 375 B8R1.1 O=C1C=C[C@@H](CO)O1 DY20390 [0,0,0,1,0,1|2,0,0]=4 376 B8R1.1 O=C1CCC(CO)N1 DY564003 [0,0,0,1,0,1|2,0,0]=4 377 B8R1.1 O=C1CC[C@@H](CO)N1 NO13834 [0,0,0,1,0,1|2,0,0]=4 378 B8R1.1 O=C1CC[C@H](CO)N1 NO15562 [0,0,0,1,0,1|2,0,0]=4 379 B8R1.1 O=C1C[C@H](CF)CO1 DY822230 [0,0,0,1,0,1|2,0,0]=4 380 B8R1.1 O=C1NC[C@@H](CO)O1 DY583311 [0,0,0,1,0,1|2,0,0]=4 381 B8R1.1 O=C1N[C@@H](CO)CO1 DY524079 [0,0,0,1,0,1|1,0,0]=3 382 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 NO20184 [0,0,0,1,0,1|1,0,1]=4 383 B8R1.1 OC[C@H]1C[C@@H](O)CN1 DY664628 [0,0,0,1,0,1|1,0,1]=4 384 B8R1.4 NC1=CC(=O)COC1 DY777652 [0,0,0,1,0,1|1,0,1]=4 385 B8R1.4 NC1CCNC(=O)C1 NO15459 [0,0,0,1,0,1|2,0,0]=4 386 B8R1.18 CC1=CC(=O)OC1O NO22773 [0,0,0,1,0,1|1,0,1]=4 387 B8R1.34 O=C(O)CC1CCC1 NO11177 [0,0,0,1,0,1|2,0,0]=4 388 B8R1.34 O=C(O)CC1CCN1 DY584158 [0,0,0,1,0,1|1,0,0]=3 389 B8R1.42 O=C(O)CC1(O)CC1 DY580923 [0,0,0,1,0,1|2,0,0]=4 390 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O DY586259 [0,0,0,1,0,1|2,0,0]=4 391 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O DY586268 [0,0,0,1,0,1|2,0,0]=4 392 B8R1.67 C[C@@H]1C(C(=O)O)[C@@H]1C DY586274 [0,0,0,1,0,1|2,0,0]=4 393 B8R1.5 N[C@@H]1CCCNC1=O DY585291 [0,1,0,1,0,0|2,0,0]=4 394 B8R1.5 N[C@@H]1COCC[C@@H]1O DY529857 [0,1,0,1,0,0|1,0,1]=4 395 B8R1.5 N[C@@H]1COCC[C@H]1O DY519045 [0,1,0,1,0,0|1,0,1]=4 396 B8R1.5 N[C@H]1CCCNC1=O DY106744 [0,1,0,1,0,0|2,0,0]=4 397 B8R1.5 N[C@H]1CCCNC1=O DY554319 [0,1,0,1,0,0|2,0,0]=4 398 B8R1.5 N[C@H]1CCOC[C@H]1O DY102103 [0,1,0,1,0,0|1,0,1]=4 399 B8R1.5 N[C@H]1CCOC[C@H]1O DY621122 [0,1,0,1,0,0|1,0,1]=4 400 B8R1.5 O=C1CCOCC1F DY458969 [0,1,0,1,0,0|2,0,0]=4 401 B8R1.5 O=C1OCCCC1O NO16147 [0,1,0,1,0,0|2,0,0]=4 402 B8R1.7 CC(=O)[C@H]1CCCN1 DY586041 [0,1,0,1,0,0|2,0,0]=4 403 B8R1.7 NC(=O)C1CCNC1 DY555753 [0,1,0,1,0,0|2,0,0]=4 404 B8R1.7 NC(=O)C1CCNC1 DY565263 [0,1,0,1,0,0|2,0,0]=4 405 B8R1.7 NC(=O)[C@@H]1CCCN1 NO22629 [0,1,0,1,0,0|2,0,0]=4 406 B8R1.7 NC(=O)[C@H]1CCCN1 DY438122 [0,1,0,1,0,0|2,0,0]=4 407 B8R1.7 O=C(O)C1C=CCN1 DY436935 [0,1,0,1,0,0|1,0,1]=4 408 B8R1.7 O=C(O)C1C=CCO1 DY788385 [0,1,0,1,0,0|2,0,0]=4 409 B8R1.7 O=C(O)C1CCCN1 NO18287 [0,1,0,1,0,0|1,0,0]=3 410 B8R1.7 O=C(O)C1CCCO1 DY20393 [0,1,0,1,0,0|2,0,0]=4 411 B8R1.7 O=C(O)C1CCNC1 NO18444 [0,1,0,1,0,0|1,0,0]=3 412 B8R1.7 O=C(O)C1CCNC1 NO19637 [0,1,0,1,0,0|1,0,0]=3 413 B8R1.7 O=C(O)C1CCOC1 DY444586 [0,1,0,1,0,0|1,0,0]=3 414 B8R1.7 O=C(O)C1CCSS1 DY566085 [0,1,0,1,0,0|1,1,0]=4 415 B8R1.7 O=C(O)C1NCCS1 NO16514 [0,1,0,1,0,0|1,0,0]=3 416 B8R1.7 O=C(O)[C@@H]1CCCO1 NO18232 [0,1,0,1,0,0|2,0,0]=4 417 B8R1.7 O=C(O)[C@@H]1CCOC1 NO19475 [0,1,0,1,0,0|1,0,0]=3 418 B8R1.7 O=C(O)[C@@H]1CSCN1 DY20446 [0,1,0,1,0,0|0,1,0]=3 419 B8R1.7 O=C(O)[C@H]1CCCN1 NO22249 [0,1,0,1,0,0|1,0,0]=3 420 B8R1.7 O=C(O)[C@H]1CCCO1 NO16192 [0,1,0,1,0,0|2,0,0]=4 421 B8R1.7 O=C(O)[C@H]1CCNC1 DY569091 [0,1,0,1,0,0|1,0,0]=3 422 B8R1.7 O=C(O)[C@H]1CSCN1 NO15627 [0,1,0,1,0,0|0,1,0]=3 423 B8R1.23 CC1CC(C(=O)O)C1 NO15188 [0,1,0,1,0,0|2,0,0]=4 424 B8R1.23 CN1CC(C(=O)O)C1 DY444119 [0,1,0,1,0,0|2,0,0]=4 425 B8R1.23 NC1CC(C(=O)O)C1 DY10550 [0,1,0,1,0,0|2,0,0]=4 426 B8R1.23 NC1CC(C(=O)O)C1 DY756217 [0,1,0,1,0,0|2,0,0]=4 427 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 NO15871 [0,1,0,1,0,0|2,0,0]=4 428 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 NO18457 [0,1,0,1,0,0|2,0,0]=4 429 B8R1.23 O=C(O)C1CC(O)C1 NO13147 [0,1,0,1,0,0|1,0,0]=3 430 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 DY104924 [0,1,0,1,0,0|1,0,0]=3 431 B8R1.23 O=C1CC(C(=O)O)C1 NO18894 [0,1,0,1,0,0|1,0,1]=4 432 B8R1.30 C=C1CC1(N)C(=O)O DY533541 [0,1,0,1,0,0|1,0,0]=3 433 B8R1.30 C[C@]1(C(=O)O)C[C@@H]1F DY102836 [0,1,0,1,0,0|2,0,0]=4 434 B8R1.54 N[C@@H](C(=O)O)C1CC1 DY556701 [0,1,0,1,0,0|1,0,0]=3 435 B8R1.78 CC1(C(=O)O)CCC1 DY21173 [0,1,0,1,0,0|2,0,0]=4 436 B8R1.78 NC1(C(=O)O)CCC1 NO20591 [0,1,0,1,0,0|1,0,0]=3 437 B8R1.78 NC1(C(=O)O)COC1 DY585976 [0,1,0,1,0,0|0,0,0]=2 438 B8R1.11 CO[C@@H]1COC[C@H]1N DY535695 [0,1,0,1,0,0|1,0,1]=4 439 B8R1.11 NC[C@H]1COC[C@H]1O DY529311 [0,1,0,1,0,0|1,0,1]=4 440 B8R1.11 O=C1OCC=C1CO DY759542 [0,1,0,1,0,0|1,0,1]=4 441 B8R1.38 CCC(=O)C1COC1 DY526161 [0,1,0,1,0,0|2,0,0]=4 442 B8R1.38 COC(=O)C1CNC1 NO13402 [0,1,0,1,0,0|2,0,0]=4 443 B8R1.38 COC(=O)[C@@H]1CCN1 DY625939 [0,1,0,1,0,0|1,0,0]=3 444 B8R1.38 COC(=O)[C@H]1CCN1 DY565389 [0,1,0,1,0,0|1,0,0]=3 445 B8R1.38 COC(=O)[C@H]1CCN1 DY627322 [0,1,0,1,0,0|1,0,0]=3 446 B8R1.39 COC(=O)C1(Br)CC1 NO14399 [0,1,0,1,0,0|2,0,0]=4 447 B8R1.39 COC(=O)C1(N)CC1 NO20598 [0,1,0,1,0,0|1,0,0]=3 448 B8R1.63 N#CC1(C(=O)O)CC1 DY41838 [0,1,0,1,0,0|1,0,1]=4 449 B8R1.63 O=C(O)C1(CO)CC1 DY556719 [0,1,0,1,0,0|1,0,0]=3 450 B8R1.77 CC1(C)C[C@@H]1C(=O)O NO19841 [0,1,0,1,0,0|2,0,0]=4