0 B5R0.5 C=C(C)C(=O)O DY740707 [0,0,0,0,0,0|1,0,1]=2 1 B5R0.5 CC(=O)C(C)C DY740329 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.5 CC(=O)C(C)Cl DY740749 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.5 CC(C)B(O)O DY454222 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.5 CC(C)C(N)=O NO21696 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.5 CC(O)C(N)=O DY538347 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.5 CN(C)C(=S)[S-] DY822456 [0,0,0,0,0,0|2,2,0]=4 7 B5R0.5 C[C@@H](Br)C(=O)O DY788601 [0,0,0,0,0,0|1,0,0]=1 8 B5R0.5 C[C@@H](N)C(N)=O NO15732 [0,0,0,0,0,0|1,0,0]=1 9 B5R0.5 C[C@@H](O)C(=O)[O-] DY580071 [0,0,0,0,0,0|1,0,1]=2 10 B5R0.5 C[C@H](Br)C(=O)O DY20444 [0,0,0,0,0,0|1,0,0]=1 11 B5R0.5 C[C@H](Cl)C(=O)O DY20315 [0,0,0,0,0,0|1,0,0]=1 12 B5R0.5 C[C@H](N)C(=O)O NO19143 [0,0,0,0,0,0|0,0,0]=0 13 B5R0.5 C[C@H](N)C(=O)S DY572427 [0,0,0,0,0,0|0,1,0]=1 14 B5R0.5 C[C@H](N)C(N)=O NO22529 [0,0,0,0,0,0|1,0,0]=1 15 B5R0.5 C[C@H](O)C(N)=O DY624997 [0,0,0,0,0,0|2,0,0]=2 16 B5R0.5 N=C(N)S(=O)O DY531987 [0,0,0,0,0,0|2,0,1]=3 17 B5R0.5 NC(=O)C(N)=O DY20822 [0,0,0,0,0,0|2,0,1]=3 18 B5R0.5 O=C(Cl)C(F)Cl DY794697 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.5 O=C(O)C(=O)O DY563517 [0,0,0,0,0,0|2,0,1]=3 20 B5R0.5 O=C(O)C(=O)O DY822364 [0,0,0,0,0,0|2,0,1]=3 21 B5R0.5 O=C(O)C(=O)O NO11387 [0,0,0,0,0,0|2,0,1]=3 22 B5R0.5 O=C(O)C(Cl)Cl DY740833 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.5 O=C([O-])C(=O)O DY822607 [0,0,0,0,0,0|2,0,1]=3 24 B5R0.5 O=C([O-])C(=O)[O-] DY114602 [0,0,0,0,0,0|2,0,2]=4 25 B5R0.5 O=C([O-])C(=O)[O-] DY506772 [0,0,0,0,0,0|2,0,2]=4 26 B5R0.5 O=C([O-])C(=O)[O-] DY822276 [0,0,0,0,0,0|2,0,2]=4 27 B5R0.5 O=C([O-])C(=O)[O-] DY822362 [0,0,0,0,0,0|2,0,2]=4 28 B5R0.5 O=C([O-])C(=O)[O-] DY822363 [0,0,0,0,0,0|2,0,2]=4 29 B5R0.5 O=C([O-])C(=O)[O-] DY822365 [0,0,0,0,0,0|2,0,2]=4 30 B5R0.5 O=C([O-])C(=O)[O-] DY822603 [0,0,0,0,0,0|2,0,2]=4 31 B5R0.5 O=C([O-])C(=O)[O-] DY822604 [0,0,0,0,0,0|2,0,2]=4 32 B5R0.5 O=C([O-])C(=O)[O-] DY822608 [0,0,0,0,0,0|2,0,2]=4 33 B5R0.5 O=C([O-])C(=O)[O-] DY822919 [0,0,0,0,0,0|2,0,2]=4 34 B5R0.5 O=C([O-])C(Cl)Cl DY21032 [0,0,0,0,0,0|2,0,1]=3 35 B5R0.5 [13CH3]C(N)C(=O)O DY454719 [0,0,0,0,0,0|0,0,0]=0 36 B4R0.1 C=CC(N)=O DY822472 [1,0,0,0,0,0|1,0,2]=4 37 B4R0.1 CC(=O)CBr DY20986 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.1 CC(=O)CN NO10921 [1,0,0,0,0,0|1,0,0]=2 39 B4R0.1 CC(=O)CO NO11467 [1,0,0,0,0,0|2,0,0]=3 40 B4R0.1 CC(=O)NN NO10881 [1,0,0,0,0,0|2,0,0]=3 41 B4R0.1 CC(=O)NO NO14961 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.1 CC(C)=NO NO10884 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.1 CC(C)CO DY740701 [1,0,0,0,0,0|1,0,1]=3 44 B4R0.1 CC(C)NN NO11525 [1,0,0,0,0,0|3,0,0]=4 45 B4R0.1 CC(C)ON NO13668 [1,0,0,0,0,0|3,0,0]=4 46 B4R0.1 CC(Cl)CCl DY822285 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.1 CC(N)C#N DY568905 [1,0,0,0,0,0|1,0,1]=3 48 B4R0.1 CC(N)C#N DY741121 [1,0,0,0,0,0|1,0,1]=3 49 B4R0.1 CC(N)CO NO21310 [1,0,0,0,0,0|0,0,1]=2 50 B4R0.1 CC(O)CCl DY586846 [1,0,0,0,0,0|2,0,1]=4 51 B4R0.1 CCB(O)O NO13979 [1,0,0,0,0,0|1,0,1]=3 52 B4R0.1 CCC(C)I DY740911 [1,0,0,0,0,0|2,0,1]=4 53 B4R0.1 CCC(N)=O NO11886 [1,0,0,0,0,0|1,0,0]=2 54 B4R0.1 CCP(Cl)Cl DY525741 [1,0,0,0,0,0|3,0,0]=4 55 B4R0.1 CNC(N)=S NO11797 [1,0,0,0,0,0|2,1,0]=4 56 B4R0.1 COC(=N)N DY546861 [1,0,0,0,0,0|3,0,0]=4 57 B4R0.1 COC(N)=O NO11667 [1,0,0,0,0,0|2,0,0]=3 58 B4R0.1 C[C@@H](Cl)CO NO20251 [1,0,0,0,0,0|1,0,1]=3 59 B4R0.1 C[C@@H](N)CN DY10147 [1,0,0,0,0,0|1,0,1]=3 60 B4R0.1 C[C@@H](N)CO NO14182 [1,0,0,0,0,0|0,0,1]=2 61 B4R0.1 C[C@@H](O)CCl DY20696 [1,0,0,0,0,0|2,0,1]=4 62 B4R0.1 C[C@@H](O)CO DY20330 [1,0,0,0,0,0|1,0,1]=3 63 B4R0.1 C[C@H](N)CN NO20323 [1,0,0,0,0,0|1,0,1]=3 64 B4R0.1 C[C@H](N)CO DY624919 [1,0,0,0,0,0|0,0,1]=2 65 B4R0.1 C[C@H](N)CO NO19476 [1,0,0,0,0,0|0,0,1]=2 66 B4R0.1 C[C@H](O)C#N DY822232 [1,0,0,0,0,0|2,0,1]=4 67 B4R0.1 C[C@H](O)CCl DY20697 [1,0,0,0,0,0|2,0,1]=4 68 B4R0.1 C[C@H](O)CN NO14075 [1,0,0,0,0,0|1,0,1]=3 69 B4R0.1 C\C(N)=N\O NO10879 [1,0,0,0,0,0|1,0,1]=3 70 B4R0.1 C\C=C(/C)Br DY10255 [1,0,0,0,0,0|2,0,1]=4 71 B4R0.1 NC(=O)CBr NO21389 [1,0,0,0,0,0|2,0,0]=3 72 B4R0.1 NC(=O)CS DY570543 [1,0,0,0,0,0|2,0,0]=3 73 B4R0.1 NCC(=O)O NO19951 [1,0,0,0,0,0|0,0,0]=1 74 B4R0.1 NCC(=O)[O-] DY20522 [1,0,0,0,0,0|0,0,1]=2 75 B4R0.1 NCC(=O)[O-] DY795873 [1,0,0,0,0,0|0,0,1]=2 76 B4R0.1 NCC(=O)[O-] NO10910 [1,0,0,0,0,0|0,0,1]=2 77 B4R0.1 NCC(N)=O NO13806 [1,0,0,0,0,0|1,0,0]=2 78 B4R0.1 NNC(N)=O NO11949 [1,0,0,0,0,0|2,0,0]=3 79 B4R0.1 NNC(N)=S DY516675 [1,0,0,0,0,0|2,1,0]=4 80 B4R0.1 O=C(Br)CBr DY796737 [1,0,0,0,0,0|2,0,0]=3 81 B4R0.1 O=C(Cl)CBr DY21000 [1,0,0,0,0,0|2,0,0]=3 82 B4R0.1 O=C(O)CO NO19334 [1,0,0,0,0,0|1,0,0]=2 83 B4R0.1 O=C([O-])CS DY822459 [1,0,0,0,0,0|1,0,1]=3 84 B4R0.1 O=S([O-])CO NO11936 [1,0,0,0,0,0|2,0,1]=4 85 B4R0.1 OCC(F)F NO20974 [1,0,0,0,0,0|2,0,1]=4 86 B6R0.3 C=C(C#N)C(=O)O DY741055 [0,1,0,0,0,0|0,0,3]=4 87 B6R0.3 C=CC(=O)N(C)C DY545499 [0,1,0,0,0,0|3,0,0]=4 88 B6R0.3 C=CC(C)C(=O)O DY559155 [0,1,0,0,0,0|1,0,0]=2 89 B6R0.3 C=CC(O)C(=O)O DY586439 [0,1,0,0,0,0|1,0,1]=3 90 B6R0.3 C=C[C@H](N)C(=O)O DY21080 [0,1,0,0,0,0|0,0,1]=2 91 B6R0.3 CC(=O)C(C)C=O DY459582 [0,1,0,0,0,0|2,0,0]=3 92 B6R0.3 CC(C)C(=O)CCl DY740659 [0,1,0,0,0,0|2,0,0]=3 93 B6R0.3 CC(C)[C@@H](N)CO NO22659 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.3 CC(C)[C@H](N)CO NO17224 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.3 CC(C)\C(N)=N\O DY574395 [0,1,0,0,0,0|2,0,0]=3 96 B6R0.3 CC(O)C(=O)O[Ag] DY527883 [0,1,0,0,0,0|1,0,0]=2 97 B6R0.3 CCC(=O)C(=O)O NO21626 [0,1,0,0,0,0|1,0,1]=3 98 B6R0.3 CCC(N)C(=O)O NO14084 [0,1,0,0,0,0|0,0,0]=1 99 B6R0.3 CCC(O)C(=O)O DY562593 [0,1,0,0,0,0|1,0,0]=2 100 B6R0.3 CCC(O)C(=O)[O-] DY557445 [0,1,0,0,0,0|1,0,1]=3 101 B6R0.3 CC[C@@H](N)C(=O)O NO14054 [0,1,0,0,0,0|0,0,0]=1 102 B6R0.3 CC[C@@H](N)C(N)=O DY503559 [0,1,0,0,0,0|1,0,0]=2 103 B6R0.3 CC[C@H](Br)C(=O)O DY624931 [0,1,0,0,0,0|1,0,0]=2 104 B6R0.3 CC[C@H](N)C(=O)O NO13661 [0,1,0,0,0,0|0,0,0]=1 105 B6R0.3 CC[C@H](N)C(N)=O DY436006 [0,1,0,0,0,0|1,0,0]=2 106 B6R0.3 CC[C@H](N)C(N)=O NO15891 [0,1,0,0,0,0|1,0,0]=2 107 B6R0.3 CN(C)C(=O)CBr NO14025 [0,1,0,0,0,0|3,0,0]=4 108 B6R0.3 CN(C)C(=O)CCl DY545469 [0,1,0,0,0,0|3,0,0]=4 109 B6R0.3 CN(C)C(=O)CN NO21306 [0,1,0,0,0,0|3,0,0]=4 110 B6R0.3 CNC(=O)[C@@H](C)N DY608176 [0,1,0,0,0,0|1,0,0]=2 111 B6R0.3 CNC(=O)[C@H](C)N DY436151 [0,1,0,0,0,0|1,0,0]=2 112 B6R0.3 CN[C@@H](C)C(=O)O DY628947 [0,1,0,0,0,0|0,0,0]=1 113 B6R0.3 CN[C@@H](C)C(N)=O DY608441 [0,1,0,0,0,0|1,0,0]=2 114 B6R0.3 COC(=O)C(C)Br NO14958 [0,1,0,0,0,0|1,0,0]=2 115 B6R0.3 COC(=O)C(C)C DY41931 [0,1,0,0,0,0|1,0,0]=2 116 B6R0.3 COC(=O)C(C)N NO22242 [0,1,0,0,0,0|0,0,0]=1 117 B6R0.3 COC(=O)[C@@H](C)N NO16663 [0,1,0,0,0,0|0,0,0]=1 118 B6R0.3 COC(=O)[C@H](C)Cl NO15798 [0,1,0,0,0,0|1,0,0]=2 119 B6R0.3 COC(=O)[C@H](C)N DY500966 [0,1,0,0,0,0|0,0,0]=1 120 B6R0.3 COC(C)C(=O)O NO14024 [0,1,0,0,0,0|1,0,0]=2 121 B6R0.3 CON(C)C(C)=O NO11789 [0,1,0,0,0,0|3,0,0]=4 122 B6R0.3 C[C@@H](CO)C(=O)O DY538785 [0,1,0,0,0,0|1,0,0]=2 123 B6R0.3 NC(=O)C(N)CO DY544785 [0,1,0,0,0,0|1,0,0]=2 124 B6R0.3 NC(=O)[C@@H](N)CO DY438160 [0,1,0,0,0,0|1,0,0]=2 125 B6R0.3 NC(=O)[C@H](N)CO DY504027 [0,1,0,0,0,0|1,0,0]=2 126 B6R0.3 NC(=O)\C(N)=N\O DY607877 [0,1,0,0,0,0|2,0,1]=4 127 B6R0.3 NC(CO)C(=O)O NO18949 [0,1,0,0,0,0|0,0,0]=1 128 B6R0.3 NC(CS)C(=O)O NO19655 [0,1,0,0,0,0|0,0,0]=1 129 B6R0.3 NCC(N)C(=O)O DY702709 [0,1,0,0,0,0|0,0,0]=1 130 B6R0.3 NCC(N)C(=O)O DY703093 [0,1,0,0,0,0|0,0,0]=1 131 B6R0.3 NCC(N)C(=O)O NO19624 [0,1,0,0,0,0|0,0,0]=1 132 B6R0.3 NC[C@@H](N)C(=O)O NO19672 [0,1,0,0,0,0|0,0,0]=1 133 B6R0.3 NC[C@@H](O)C(=O)O NO20294 [0,1,0,0,0,0|1,0,0]=2 134 B6R0.3 NC[C@H](N)C(=O)O NO14756 [0,1,0,0,0,0|0,0,0]=1 135 B6R0.3 N[C@@H](CCl)C(=O)O DY436850 [0,1,0,0,0,0|0,0,0]=1 136 B6R0.3 N[C@@H](CO)C(=O)O NO19144 [0,1,0,0,0,0|0,0,0]=1 137 B6R0.3 N[C@@H](CS)C(=O)O DY436887 [0,1,0,0,0,0|0,0,0]=1 138 B6R0.3 N[C@@H](CS)C(=O)O DY529455 [0,1,0,0,0,0|0,0,0]=1 139 B6R0.3 N[C@@H](CS)C(=O)O NO19113 [0,1,0,0,0,0|0,0,0]=1 140 B6R0.3 N[C@@H](CS)S(=O)O DY538851 [0,1,0,0,0,0|1,0,0]=2 141 B6R0.3 N[C@H](CO)C(=O)O NO14731 [0,1,0,0,0,0|0,0,0]=1 142 B6R0.3 N[C@H](CS)C(=O)O DY439001 [0,1,0,0,0,0|0,0,0]=1 143 B6R0.3 N[C@H](CS)C(=O)O NO19417 [0,1,0,0,0,0|0,0,0]=1 144 B6R0.3 O=C(O)C(Br)CBr NO15215 [0,1,0,0,0,0|1,0,0]=2 145 B6R0.3 O=C(O)C(Br)CF DY741307 [0,1,0,0,0,0|1,0,0]=2 146 B6R0.3 O=C(O)C(O)CCl DY10790 [0,1,0,0,0,0|1,0,0]=2 147 B6R0.3 O=C(O)[C@H](O)CS DY740539 [0,1,0,0,0,0|1,0,0]=2 148 B6R0.7 CC(=O)C(C)(C)Cl DY741007 [0,1,0,0,0,0|2,0,0]=3 149 B6R0.7 CC(C)(Br)C(=O)O NO21332 [0,1,0,0,0,0|1,0,0]=2 150 B6R0.7 CC(C)(C)C(=O)O NO11866 [0,1,0,0,0,0|1,0,0]=2 151 B6R0.7 CC(C)(C)C(=O)[O-] DY504753 [0,1,0,0,0,0|1,0,1]=3 152 B6R0.7 CC(C)(C)[S@@](N)=O NO22549 [0,1,0,0,0,0|3,0,0]=4 153 B6R0.7 CC(C)(C)[S@](N)=O NO13893 [0,1,0,0,0,0|3,0,0]=4 154 B6R0.7 CC(C)(N)C(=O)O NO15358 [0,1,0,0,0,0|0,0,0]=1 155 B6R0.7 CC(C)(N)C(N)=O DY609020 [0,1,0,0,0,0|1,0,0]=2 156 B6R0.7 CC(C)(O)C(N)=S DY740299 [0,1,0,0,0,0|2,1,0]=4 157 B6R0.7 CC(C)S(=O)(=O)[O-] DY547479 [0,1,0,0,0,0|2,0,1]=4 158 B6R0.7 CC(C)S(C)(=O)=O DY740869 [0,1,0,0,0,0|2,0,1]=4 159 B6R0.7 CC(C)S(N)(=O)=O NO15962 [0,1,0,0,0,0|2,0,1]=4 160 B6R0.7 CC(N)C(C)(C)C DY552417 [0,1,0,0,0,0|2,0,1]=4 161 B6R0.7 NC(=O)C(F)(F)F NO20935 [0,1,0,0,0,0|3,0,0]=4 162 B6R0.7 O=C(Cl)C(Cl)(Cl)Cl DY40501 [0,1,0,0,0,0|3,0,0]=4 163 B6R0.7 O=C(O)C(Br)(Br)Br DY822346 [0,1,0,0,0,0|2,0,0]=3 164 B6R0.7 O=C(O)C(Cl)(Cl)Cl DY565503 [0,1,0,0,0,0|2,0,0]=3 165 B6R0.7 O=C(O)C(F)(F)F DY684994 [0,1,0,0,0,0|2,0,0]=3 166 B6R0.7 O=C([O-])C(F)(F)F DY541353 [0,1,0,0,0,0|2,0,1]=4 167 B6R0.7 O=C([O-])C(F)(F)F DY551343 [0,1,0,0,0,0|2,0,1]=4 168 B6R0.7 [2H]C(C)(N)C(=O)O DY454695 [0,1,0,0,0,0|0,0,0]=1 169 B6R1.4 CC1OCC1N DY732961 [0,0,0,1,0,0|1,0,1]=3 170 B6R1.4 C[C@@H]1NC[C@H]1O DY519399 [0,0,0,1,0,0|1,0,1]=3 171 B6R1.4 C[C@@H]1OC[C@H]1O DY515625 [0,0,0,1,0,0|2,0,1]=4 172 B6R1.4 NN1CCC1=O DY585858 [0,0,0,1,0,0|2,0,0]=3 173 B6R1.4 O[C@H]1CC[C@H]1O DY756385 [0,0,0,1,0,0|2,0,1]=4 174 B6R1.11 CC(C)C1CO1 DY791517 [0,0,0,1,0,0|2,0,1]=4 175 B6R1.11 CC(N)C1CC1 DY528885 [0,0,0,1,0,0|2,0,1]=4 176 B6R1.11 CC(O)C1CC1 DY757429 [0,0,0,1,0,0|2,0,1]=4 177 B6R1.11 C[C@H](N)C1CC1 DY623903 [0,0,0,1,0,0|2,0,1]=4 178 B6R1.11 N=C(N)C1CC1 DY559371 [0,0,0,1,0,0|3,0,0]=4 179 B6R1.11 N=C(N)C1CC1 NO16535 [0,0,0,1,0,0|3,0,0]=4 180 B6R1.11 NC(=O)C1CC1 NO16456 [0,0,0,1,0,0|2,0,0]=3 181 B6R1.11 NC(=S)C1CC1 DY21067 [0,0,0,1,0,0|2,1,0]=4 182 B6R1.11 O=C(O)C1CC1 NO13839 [0,0,0,1,0,0|1,0,0]=2 183 B6R1.11 O=C([O-])C1CO1 NO17514 [0,0,0,1,0,0|1,0,1]=3 184 B6R1.11 O=C([O-])[C@@H]1CO1 DY627493 [0,0,0,1,0,0|1,0,1]=3 185 B6R1.11 O=S(O)C1CC1 DY586549 [0,0,0,1,0,0|2,0,0]=3 186 B6R1.11 OB(O)C1CC1 DY20194 [0,0,0,1,0,0|2,0,1]=4 187 B6R0.2 CC(=O)NC(C)C DY461094 [0,0,0,0,0,1|2,0,0]=3 188 B6R0.2 CC(C)=CC(=O)O NO14947 [0,0,0,0,0,1|1,0,1]=3 189 B6R0.2 CC(C)=CC(N)=O DY795567 [0,0,0,0,0,1|2,0,1]=4 190 B6R0.2 CC(C)CB(O)O NO22276 [0,0,0,0,0,1|2,0,1]=4 191 B6R0.2 CC(C)CC(C)N DY822361 [0,0,0,0,0,1|2,0,1]=4 192 B6R0.2 CC(O)CC(=O)[O-] DY460020 [0,0,0,0,0,1|1,0,1]=3 193 B6R0.2 CN(C)CC(=O)O NO13413 [0,0,0,0,0,1|2,0,0]=3 194 B6R0.2 C[C@@H](N)CC(=O)O NO19028 [0,0,0,0,0,1|0,0,0]=1 195 B6R0.2 C[C@@H](N)CN(C)C DY550137 [0,0,0,0,0,1|3,0,0]=4 196 B6R0.2 C[C@@H](O)CC(=O)[O-] NO20253 [0,0,0,0,0,1|1,0,1]=3 197 B6R0.2 C[C@H](N)CC(=O)O NO20346 [0,0,0,0,0,1|0,0,0]=1 198 B6R0.2 C[C@H](O)CC(=O)O DY426021 [0,0,0,0,0,1|1,0,0]=2 199 B6R0.2 C[C@H](O)CC(=O)[O-] DY791133 [0,0,0,0,0,1|1,0,1]=3 200 B6R0.2 NC(=O)NC(N)=O NO11485 [0,0,0,0,0,1|2,0,1]=4 201 B3R0.1 C#CC=O DY743011 [2,0,0,0,0,0|0,0,2]=4 202 B3R0.1 C=CCBr DY41858 [2,0,0,0,0,0|2,0,0]=4 203 B3R0.1 C=CCN DY500409 [2,0,0,0,0,0|1,0,0]=3 204 B3R0.1 CCNC DY822410 [2,0,0,0,0,0|2,0,0]=4 205 B3R0.1 CCNN DY563997 [2,0,0,0,0,0|2,0,0]=4 206 B3R0.1 CNC=O DY513177 [2,0,0,0,0,0|1,0,0]=3 207 B3R0.1 NCCBr NO14044 [2,0,0,0,0,0|1,0,1]=4 208 B3R0.1 NCCCl NO16188 [2,0,0,0,0,0|1,0,1]=4 209 B3R0.1 NCCF NO21564 [2,0,0,0,0,0|1,0,1]=4 210 B3R0.1 NCCN DY521541 [2,0,0,0,0,0|1,0,1]=4 211 B3R0.1 NCCN DY561063 [2,0,0,0,0,0|1,0,1]=4 212 B3R0.1 NCCN DY567273 [2,0,0,0,0,0|1,0,1]=4 213 B3R0.1 NCCS DY460548 [2,0,0,0,0,0|0,1,1]=4 214 B3R0.1 O=CC=O DY562899 [2,0,0,0,0,0|1,0,1]=4 215 B3R0.1 OCCF DY822289 [2,0,0,0,0,0|1,0,1]=4 216 B3R0.2 CB(O)O DY508688 [2,0,0,0,0,0|1,0,1]=4 217 B3R0.2 CC(=O)O DY562245 [2,0,0,0,0,0|0,0,0]=2 218 B3R0.2 CC(=O)[O-] DY564465 [2,0,0,0,0,0|0,0,1]=3 219 B3R0.2 CC(=O)[O-] DY822453 [2,0,0,0,0,0|0,0,1]=3 220 B3R0.2 CC(=O)[O-] DY822777 [2,0,0,0,0,0|0,0,1]=3 221 B3R0.2 CC(=O)[O-] DY822867 [2,0,0,0,0,0|0,0,1]=3 222 B3R0.2 CC(=O)[O-] DY822906 [2,0,0,0,0,0|0,0,1]=3 223 B3R0.2 CC(=O)[O-] DY822959 [2,0,0,0,0,0|0,0,1]=3 224 B3R0.2 CC(=O)[O-] DY822960 [2,0,0,0,0,0|0,0,1]=3 225 B3R0.2 CC(=O)[O-] NO11168 [2,0,0,0,0,0|0,0,1]=3 226 B3R0.2 CC(=O)[O-] NO11832 [2,0,0,0,0,0|0,0,1]=3 227 B3R0.2 CC(C)Br DY41864 [2,0,0,0,0,0|1,0,1]=4 228 B3R0.2 CC(C)I DY742309 [2,0,0,0,0,0|1,0,1]=4 229 B3R0.2 CC(C)[O-] DY822961 [2,0,0,0,0,0|1,0,1]=4 230 B3R0.2 CS(=O)[O-] DY434050 [2,0,0,0,0,0|1,0,1]=4 231 B3R0.2 CS(C)=O DY506586 [2,0,0,0,0,0|2,0,0]=4 232 B3R0.2 C[13C](=O)O DY454749 [2,0,0,0,0,0|0,0,0]=2 233 B3R0.2 C[PH](C)=O DY21075 [2,0,0,0,0,0|2,0,0]=4 234 B3R0.2 N=C(N)N NO19174 [2,0,0,0,0,0|2,0,0]=4 235 B3R0.2 NC(N)=S NO12023 [2,0,0,0,0,0|1,1,0]=4 236 B3R0.2 N[13C](N)=O DY454839 [2,0,0,0,0,0|1,0,0]=3 237 B3R0.2 O=C([O-])O DY822972 [2,0,0,0,0,0|1,0,0]=3 238 B3R0.2 O=C([O-])[O-] DY557709 [2,0,0,0,0,0|1,0,1]=4 239 B3R0.2 O=C([O-])[O-] DY822905 [2,0,0,0,0,0|1,0,1]=4 240 B3R0.2 O=C([O-])[O-] DY822921 [2,0,0,0,0,0|1,0,1]=4 241 B3R0.2 O=C([O-])[O-] NO11119 [2,0,0,0,0,0|1,0,1]=4 242 B3R0.2 O=S([O-])O DY445110 [2,0,0,0,0,0|2,0,0]=4 243 B3R0.2 O=[Se](O)O DY822562 [2,0,0,0,0,0|2,0,0]=4 244 B5R0.1 C=C(C)CCBr NO14513 [1,1,0,0,0,0|2,0,0]=4 245 B5R0.1 CC#CC(=O)O DY20776 [1,1,0,0,0,0|0,0,1]=3 246 B5R0.1 CC(=O)\C=N\O NO11520 [1,1,0,0,0,0|1,0,1]=4 247 B5R0.1 CC(=O)\C=N\O NO18968 [1,1,0,0,0,0|1,0,1]=4 248 B5R0.1 CC(C)CC=O NO11530 [1,1,0,0,0,0|1,0,0]=3 249 B5R0.1 CC(N)CCO NO22096 [1,1,0,0,0,0|0,0,1]=3 250 B5R0.1 CC(O)CON NO17735 [1,1,0,0,0,0|1,0,1]=4 251 B5R0.1 CCCB(O)O NO14802 [1,1,0,0,0,0|1,0,1]=4 252 B5R0.1 CCCC(=O)[O-] DY822775 [1,1,0,0,0,0|0,0,1]=3 253 B5R0.1 CCCC(C)=O NO21731 [1,1,0,0,0,0|1,0,0]=3 254 B5R0.1 CCCC(C)O DY741013 [1,1,0,0,0,0|1,0,1]=4 255 B5R0.1 CCNC(C)=O DY564051 [1,1,0,0,0,0|1,0,0]=3 256 B5R0.1 CCOC(C)=N DY500026 [1,1,0,0,0,0|2,0,0]=4 257 B5R0.1 CCSC(=N)N DY505011 [1,1,0,0,0,0|2,0,0]=4 258 B5R0.1 CN(C)CC=O DY558327 [1,1,0,0,0,0|2,0,0]=4 259 B5R0.1 CN(C)CC=O NO17734 [1,1,0,0,0,0|2,0,0]=4 260 B5R0.1 CNCC(=O)O NO18595 [1,1,0,0,0,0|0,0,0]=2 261 B5R0.1 COCC(=N)N DY535605 [1,1,0,0,0,0|2,0,0]=4 262 B5R0.1 COCC(=O)O NO11579 [1,1,0,0,0,0|0,0,0]=2 263 B5R0.1 COCC(C)O NO20741 [1,1,0,0,0,0|1,0,1]=4 264 B5R0.1 COC[C@@H](C)O NO20249 [1,1,0,0,0,0|1,0,1]=4 265 B5R0.1 COC[C@H](C)N DY623421 [1,1,0,0,0,0|0,0,1]=3 266 B5R0.1 COC[C@H](C)O NO20309 [1,1,0,0,0,0|1,0,1]=4 267 B5R0.1 CSCC(=N)N DY504363 [1,1,0,0,0,0|2,0,0]=4 268 B5R0.1 CSCC(=O)O DY543879 [1,1,0,0,0,0|0,0,0]=2 269 B5R0.1 CSCC(N)=O NO12608 [1,1,0,0,0,0|1,0,0]=3 270 B5R0.1 C[C@@H](N)CCO NO14355 [1,1,0,0,0,0|0,0,1]=3 271 B5R0.1 C[C@H](N)CCO DY625189 [1,1,0,0,0,0|0,0,1]=3 272 B5R0.1 C[C@H](N)CCO NO14356 [1,1,0,0,0,0|0,0,1]=3 273 B5R0.1 C\C(N)=C/C#N DY506903 [1,1,0,0,0,0|1,0,1]=4 274 B5R0.1 C\C=C\C(=O)O DY41882 [1,1,0,0,0,0|0,0,1]=3 275 B5R0.1 C\C=C\[C@H](C)O DY791877 [1,1,0,0,0,0|2,0,0]=4 276 B5R0.1 N#CCC(=O)Cl DY740377 [1,1,0,0,0,0|1,0,1]=4 277 B5R0.1 N#CCC(N)=O NO18594 [1,1,0,0,0,0|1,0,1]=4 278 B5R0.1 NCCC(=O)O NO13499 [1,1,0,0,0,0|0,0,0]=2 279 B5R0.1 N\C=C\C(N)=O DY741355 [1,1,0,0,0,0|1,0,1]=4 280 B5R0.1 O=C(O)OCCl DY523719 [1,1,0,0,0,0|1,0,0]=3 281 B5R0.3 C=C(CO)CO NO21689 [1,1,0,0,0,0|2,0,0]=4 282 B5R0.3 C=CC(Cl)CCl DY740791 [1,1,0,0,0,0|2,0,0]=4 283 B5R0.3 C=CC(N)CO DY579231 [1,1,0,0,0,0|1,0,0]=3 284 B5R0.3 C=C[C@H](O)CO DY625759 [1,1,0,0,0,0|2,0,0]=4 285 B5R0.3 CCC(=O)OC DY460566 [1,1,0,0,0,0|0,0,0]=2 286 B5R0.3 CCC(N)CO DY20718 [1,1,0,0,0,0|0,0,1]=3 287 B5R0.3 CCC(N)CO DY741331 [1,1,0,0,0,0|0,0,1]=3 288 B5R0.3 CCC(O)CN DY519471 [1,1,0,0,0,0|1,0,1]=4 289 B5R0.3 CCC(O)CO DY822703 [1,1,0,0,0,0|0,0,2]=4 290 B5R0.3 CCN(O)CC DY551655 [1,1,0,0,0,0|2,0,0]=4 291 B5R0.3 CC[C@@H](N)CO NO15119 [1,1,0,0,0,0|0,0,1]=3 292 B5R0.3 CC[C@H](N)CO DY10528 [1,1,0,0,0,0|0,0,1]=3 293 B5R0.3 CC[C@H](O)CO NO15622 [1,1,0,0,0,0|0,0,2]=4 294 B5R0.3 CNC(=O)CCl DY21094 [1,1,0,0,0,0|2,0,0]=4 295 B5R0.3 CNC(=O)CN DY437710 [1,1,0,0,0,0|1,0,0]=3 296 B5R0.3 CNC(=O)CN DY542271 [1,1,0,0,0,0|1,0,0]=3 297 B5R0.3 COC(=O)CF DY822286 [1,1,0,0,0,0|1,0,0]=3 298 B5R0.3 COC(=O)CN NO15045 [1,1,0,0,0,0|0,0,0]=2 299 B5R0.3 COC(=O)CO NO19433 [1,1,0,0,0,0|1,0,0]=3 300 B5R0.3 COC(=O)CS DY20578 [1,1,0,0,0,0|1,0,0]=3 301 B5R0.3 COC(=O)NN DY20825 [1,1,0,0,0,0|1,0,0]=3 302 B5R0.3 COC(=S)NN DY536997 [1,1,0,0,0,0|1,1,0]=4 303 B5R0.3 CO[C@H](C)CN DY622119 [1,1,0,0,0,0|1,0,1]=4 304 B5R0.3 CO[C@H](C)CN NO17733 [1,1,0,0,0,0|1,0,1]=4 305 B5R0.3 CO[C@H](C)CO NO12306 [1,1,0,0,0,0|1,0,1]=4 306 B5R0.3 NC(CO)CO NO18352 [1,1,0,0,0,0|0,0,1]=3 307 B5R0.3 NCC(O)CN NO14232 [1,1,0,0,0,0|1,0,1]=4 308 B5R0.3 NCC(O)CO NO18397 [1,1,0,0,0,0|0,0,2]=4 309 B5R0.3 NC[C@@H](O)CO NO14832 [1,1,0,0,0,0|0,0,2]=4 310 B5R0.3 NC[C@H](O)CCl DY427329 [1,1,0,0,0,0|1,0,1]=4 311 B5R0.3 NC[C@H](O)CO DY20311 [1,1,0,0,0,0|0,0,2]=4 312 B5R0.3 NNC(=O)NN DY822657 [1,1,0,0,0,0|2,0,0]=4 313 B5R0.3 O=C(CBr)CBr DY572985 [1,1,0,0,0,0|2,0,0]=4 314 B5R0.3 O=C(CO)CO NO11245 [1,1,0,0,0,0|1,0,0]=3 315 B5R0.3 O=CC(Br)C=O NO18151 [1,1,0,0,0,0|1,0,1]=4 316 B5R0.3 OC[C@@H](O)CCl NO15061 [1,1,0,0,0,0|1,0,1]=4 317 B5R0.3 OC[C@H](O)CCl DY20314 [1,1,0,0,0,0|1,0,1]=4 318 B5R0.4 C=CC(C)(C)Br DY575625 [1,1,0,0,0,0|2,0,0]=4 319 B5R0.4 C=CC(C)(C)C DY822271 [1,1,0,0,0,0|2,0,0]=4 320 B5R0.4 CC(C)(C)N=O DY822750 [1,1,0,0,0,0|2,0,0]=4 321 B5R0.4 CC(C)(C)OO DY741391 [1,1,0,0,0,0|2,0,0]=4 322 B5R0.4 CC(C)(N)C#N DY536241 [1,1,0,0,0,0|1,0,1]=4 323 B5R0.4 CC(C)(N)C#N NO15395 [1,1,0,0,0,0|1,0,1]=4 324 B5R0.4 CC(C)(O)CN NO20593 [1,1,0,0,0,0|1,0,1]=4 325 B5R0.4 CCP(=O)(O)O DY566847 [1,1,0,0,0,0|1,0,0]=3 326 B5R0.4 O=CC(Br)(Br)Br DY822347 [1,1,0,0,0,0|2,0,0]=4 327 B7R0.2 CC(=O)OC(Br)CBr DY793431 [0,1,0,0,0,1|2,0,0]=4 328 B7R0.2 CC(C)CC(=O)CN DY540483 [0,1,0,0,0,1|2,0,0]=4 329 B7R0.2 CC(C)NC(=O)CN DY605375 [0,1,0,0,0,1|2,0,0]=4 330 B7R0.2 CC(C)OC(=O)CO NO11522 [0,1,0,0,0,1|1,0,0]=3 331 B7R0.2 CC[C@@H](N)CC(=O)O DY628125 [0,1,0,0,0,1|0,0,0]=2 332 B7R0.2 CC[C@@H](N)CC(=O)O DY700188 [0,1,0,0,0,1|0,0,0]=2 333 B7R0.2 CNC(=O)CC(=O)O DY604593 [0,1,0,0,0,1|1,0,1]=4 334 B7R0.2 CNC(C)CC(=O)O DY606375 [0,1,0,0,0,1|0,0,0]=2 335 B7R0.2 COC(=O)CC(=O)O NO13436 [0,1,0,0,0,1|1,0,1]=4 336 B7R0.2 COC(=O)CC(N)=O DY557829 [0,1,0,0,0,1|1,0,1]=4 337 B7R0.2 COC(=O)C[C@@H](C)N DY460818 [0,1,0,0,0,1|0,0,0]=2 338 B7R0.2 COC(=O)C[C@@H](C)O NO11584 [0,1,0,0,0,1|1,0,0]=3 339 B7R0.2 COC(=O)C[C@H](C)N DY625921 [0,1,0,0,0,1|0,0,0]=2 340 B7R0.2 COC(=O)C[C@H](C)O DY559029 [0,1,0,0,0,1|1,0,0]=3 341 B7R0.2 COC(=O)\C=C(/C)F DY822490 [0,1,0,0,0,1|1,0,1]=4 342 B7R0.2 COC(=O)\C=C(/C)N NO13690 [0,1,0,0,0,1|0,0,1]=3 343 B7R0.2 NC[C@@H](F)C[PH](=O)O DY549963 [0,1,0,0,0,1|2,0,0]=4 344 B7R0.2 NC[C@H](O)CC(=O)O NO16710 [0,1,0,0,0,1|1,0,0]=3 345 B7R0.9 CC(=O)CC(C)(C)O DY740611 [0,1,0,0,0,1|2,0,0]=4 346 B7R0.9 CC(C)(C)CC(=O)Cl DY568221 [0,1,0,0,0,1|2,0,0]=4 347 B7R0.9 CC(C)(C)CC(=O)O NO22814 [0,1,0,0,0,1|1,0,0]=3 348 B7R0.9 CC(C)(C)OC(N)=O NO11993 [0,1,0,0,0,1|2,0,0]=4 349 B7R0.9 CC(C)(N)CC(=O)O NO14805 [0,1,0,0,0,1|0,0,0]=2 350 B7R0.9 CC(C)(N)CC(=O)O NO17039 [0,1,0,0,0,1|0,0,0]=2 351 B7R0.9 CC(C)(O)CC(=O)[O-] DY791319 [0,1,0,0,0,1|1,0,1]=4 352 B7R0.9 C[N+](C)(C)CC(=O)O DY562113 [0,1,0,0,0,1|2,0,0]=4 353 B7R0.16 CC(=O)C(=O)C(C)Br DY822550 [0,1,0,0,0,1|2,0,0]=4 354 B7R0.16 CC(=O)C(N)C(=O)O DY700663 [0,1,0,0,0,1|1,0,1]=4 355 B7R0.16 CC(Br)C(Br)C(=O)O DY822548 [0,1,0,0,0,1|1,0,0]=3 356 B7R0.16 CC(C)C(=O)C(=O)[O-] NO22357 [0,1,0,0,0,1|1,0,1]=4 357 B7R0.16 CC(C)[C@@H](N)C(N)=O NO11445 [0,1,0,0,0,1|2,0,0]=4 358 B7R0.16 CC(C)[C@H](N)C(=O)O NO19285 [0,1,0,0,0,1|1,0,0]=3 359 B7R0.16 CN(C)C(=O)C(=O)O NO11735 [0,1,0,0,0,1|2,0,0]=4 360 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O NO22619 [0,1,0,0,0,1|1,0,0]=3 361 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O DY438202 [0,1,0,0,0,1|2,0,0]=4 362 B7R0.16 C[C@H](C(=O)O)N(C)C DY608460 [0,1,0,0,0,1|2,0,0]=4 363 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O DY702847 [0,1,0,0,0,1|0,0,0]=2 364 B7R0.16 C[C@H](O)[C@H](N)C(=O)O NO16722 [0,1,0,0,0,1|1,0,0]=3 365 B7R0.16 O=C(O)C(=O)C(Br)Br NO18490 [0,1,0,0,0,1|2,0,0]=4 366 B7R0.5 C#CC[C@@H](N)C(=O)O DY21037 [0,2,0,0,0,0|0,0,0]=2 367 B7R0.5 C#CC[C@H](N)C(=O)O NO13900 [0,2,0,0,0,0|0,0,0]=2 368 B7R0.5 CCCC(C)C(C)=O DY740965 [0,2,0,0,0,0|2,0,0]=4 369 B7R0.5 CCC[C@@H](N)C(=O)O NO10518 [0,2,0,0,0,0|0,0,0]=2 370 B7R0.5 CCC[C@H](N)C(=O)O NO17028 [0,2,0,0,0,0|0,0,0]=2 371 B7R0.5 CCNC(=O)C(C)Cl DY605068 [0,2,0,0,0,0|2,0,0]=4 372 B7R0.5 CCOC(=O)C(Br)Br DY584292 [0,2,0,0,0,0|2,0,0]=4 373 B7R0.5 CCOC(=O)C(C)C NO11388 [0,2,0,0,0,0|1,0,0]=3 374 B7R0.5 CCOC(=O)C(C)N DY628935 [0,2,0,0,0,0|0,0,0]=2 375 B7R0.5 CCOC(=O)C(F)F NO11385 [0,2,0,0,0,0|2,0,0]=4 376 B7R0.5 CCOC(=O)C(N)=S NO11392 [0,2,0,0,0,0|1,0,1]=4 377 B7R0.5 CCOC(=O)[C@@H](C)O NO20075 [0,2,0,0,0,0|1,0,0]=3 378 B7R0.5 CN(C)C(=O)CCO DY606315 [0,2,0,0,0,0|2,0,0]=4 379 B7R0.5 COC[C@@H](N)C(=O)O NO12183 [0,2,0,0,0,0|0,0,0]=2 380 B7R0.5 COC[C@H](N)C(=O)O NO16755 [0,2,0,0,0,0|0,0,0]=2 381 B7R0.5 COC[C@H](N)C(=O)O NO20335 [0,2,0,0,0,0|0,0,0]=2 382 B7R0.5 NC(CCO)C(=O)O NO13886 [0,2,0,0,0,0|0,0,0]=2 383 B7R0.5 NCCC(N)C(=O)O DY700789 [0,2,0,0,0,0|0,0,0]=2 384 B7R0.5 NCCC(N)C(=O)O NO15080 [0,2,0,0,0,0|0,0,0]=2 385 B7R0.5 NCCC(O)C(=O)O NO15496 [0,2,0,0,0,0|1,0,0]=3 386 B7R0.5 NCC[C@@H](O)C(=O)O DY703039 [0,2,0,0,0,0|1,0,0]=3 387 B7R0.5 NCC[C@H](N)C(=O)O DY439091 [0,2,0,0,0,0|0,0,0]=2 388 B7R0.5 NCC[C@H](O)C(=O)O NO21759 [0,2,0,0,0,0|1,0,0]=3 389 B7R0.5 N[C@@H](CCO)C(=O)O NO22620 [0,2,0,0,0,0|0,0,0]=2 390 B7R0.5 N[C@H](CCO)C(=O)O NO16701 [0,2,0,0,0,0|0,0,0]=2 391 B7R0.10 C=C(CBr)C(=O)OC NO11592 [0,2,0,0,0,0|1,0,1]=4 392 B7R0.10 C=C(CC)C(=O)OC DY541119 [0,2,0,0,0,0|1,0,1]=4 393 B7R0.10 CCC(Br)C(=O)OC NO14136 [0,2,0,0,0,0|1,0,0]=3 394 B7R0.10 CNC(=O)[C@H](C)NC DY608115 [0,2,0,0,0,0|1,0,0]=3 395 B7R0.10 COC(=O)C(=O)CBr NO15824 [0,2,0,0,0,0|1,0,1]=4 396 B7R0.10 COC(=O)C(Br)CBr DY740875 [0,2,0,0,0,0|1,0,0]=3 397 B7R0.10 COC(=O)C(C)OC DY822756 [0,2,0,0,0,0|1,0,0]=3 398 B7R0.10 COC(=O)C(F)CO NO17081 [0,2,0,0,0,0|1,0,0]=3 399 B7R0.10 COC(=O)C(N)CCl NO22615 [0,2,0,0,0,0|0,0,0]=2 400 B7R0.10 COC(=O)C(N)CO NO16785 [0,2,0,0,0,0|0,0,0]=2 401 B7R0.10 COC(=O)[C@@H](N)CO DY700116 [0,2,0,0,0,0|0,0,0]=2 402 B7R0.10 COC(=O)[C@@H](N)CO NO22621 [0,2,0,0,0,0|0,0,0]=2 403 B7R0.10 COC(=O)[C@@H](O)CO DY429048 [0,2,0,0,0,0|1,0,0]=3 404 B7R0.10 COC(=O)[C@H](N)CO NO16778 [0,2,0,0,0,0|0,0,0]=2 405 B7R0.10 COC(C)C(=O)NN DY604048 [0,2,0,0,0,0|2,0,0]=4 406 B7R0.10 NNC(=O)[C@@H](N)CO DY624415 [0,2,0,0,0,0|1,0,0]=3 407 B7R0.10 O=C[C@H](O)[C@H](O)CO DY561741 [0,2,0,0,0,0|1,0,1]=4 408 B7R0.13 CC(C)(CN)C(=O)O DY535611 [0,2,0,0,0,0|0,0,0]=2 409 B7R0.13 CC(C)(CN)C(N)=O NO22038 [0,2,0,0,0,0|1,0,0]=3 410 B7R0.13 CC(C)(CO)C(=O)O NO19743 [0,2,0,0,0,0|1,0,0]=3 411 B7R0.13 CC(N)(CO)C(=O)O DY559497 [0,2,0,0,0,0|0,0,0]=2 412 B7R0.13 CCC(C)(C)C(C)=O DY792897 [0,2,0,0,0,0|2,0,0]=4 413 B7R0.13 CCC(C)(N)C(=O)O DY628689 [0,2,0,0,0,0|0,0,0]=2 414 B7R0.13 C[C@](O)(CBr)C(=O)O NO14051 [0,2,0,0,0,0|1,0,0]=3 415 B7R0.14 CC(C)(C)C(=O)C#N DY822781 [0,2,0,0,0,0|2,0,0]=4 416 B7R0.14 CC(C)(F)C(=O)CBr DY569355 [0,2,0,0,0,0|2,0,0]=4 417 B7R0.14 COC(=O)C(C)(C)F NO11604 [0,2,0,0,0,0|1,0,0]=3 418 B7R0.14 COC(=O)C(C)(C)N NO17071 [0,2,0,0,0,0|0,0,0]=2 419 B7R0.14 COC(=O)C(F)(F)Br DY822691 [0,2,0,0,0,0|2,0,0]=4 420 B7R0.15 CCC(CC)C(=O)[O-] DY21097 [0,2,0,0,0,0|1,0,1]=4 421 B7R0.15 CC[C@H](CO)C(=O)O DY621945 [0,2,0,0,0,0|1,0,0]=3 422 B7R0.15 COC(OC)C(C)=O DY20526 [0,2,0,0,0,0|2,0,0]=4 423 B5R1.2 BrC1COC1 DY425330 [1,0,0,1,0,0|1,0,1]=4 424 B5R1.2 C[C@H]1CCN1 DY625021 [1,0,0,1,0,0|1,0,1]=4 425 B5R1.2 IC1COC1 DY10503 [1,0,0,1,0,0|1,0,1]=4 426 B5R1.2 NC1COC1 NO22388 [1,0,0,1,0,0|0,0,1]=3 427 B5R1.2 O=C1CCC1 DY10479 [1,0,0,1,0,0|1,0,0]=3 428 B5R1.2 O=C1CCO1 DY561045 [1,0,0,1,0,0|0,0,0]=2 429 B5R1.2 O=C1COC1 NO22391 [1,0,0,1,0,0|2,0,0]=4 430 B5R1.2 O=C1CSC1 NO13345 [1,0,0,1,0,0|2,0,0]=4 431 B5R1.2 O=C1O[Mg]O1 DY566343 [1,0,0,1,0,0|2,0,0]=4 432 B5R1.2 OC1CCC1 NO11176 [1,0,0,1,0,0|1,0,1]=4 433 B5R1.2 OC1CNC1 NO14687 [1,0,0,1,0,0|1,0,1]=4 434 B5R1.2 OC1COC1 NO19329 [1,0,0,1,0,0|1,0,1]=4 435 B5R1.3 CC[C@H]1CO1 DY20699 [1,0,0,1,0,0|1,0,1]=4 436 B5R1.3 OCC1CC1 NO19620 [1,0,0,1,0,0|1,0,1]=4 437 B5R1.4 N[C@@H]1C[C@@H]1F DY620136 [1,0,0,1,0,0|1,0,1]=4 438 B5R1.4 N[C@@H]1C[C@H]1N DY586552 [1,0,0,1,0,0|1,0,1]=4 439 B5R1.4 N[C@H]1C[C@@H]1F DY758461 [1,0,0,1,0,0|1,0,1]=4 440 B5R1.4 N[C@H]1C[C@@H]1N DY586558 [1,0,0,1,0,0|1,0,1]=4 441 B5R1.4 N[C@H]1C[C@H]1N DY586550 [1,0,0,1,0,0|1,0,1]=4 442 B5R1.5 CC1(N)CC1 NO15074 [1,0,0,1,0,0|1,0,1]=4 443 B7R1.2 CC1=CC(=O)NN1 NO22601 [0,0,0,1,0,1|1,0,1]=4 444 B7R1.2 CC1CCC(=O)N1 DY505299 [0,0,0,1,0,1|2,0,0]=4 445 B7R1.2 C[C@@H]1COC(=O)N1 NO14300 [0,0,0,1,0,1|1,0,0]=3 446 B7R1.2 C[C@@H]1C[C@@H](O)CN1 DY621044 [0,0,0,1,0,1|1,0,1]=4 447 B7R1.2 C[C@H]1COC(=O)N1 DY553365 [0,0,0,1,0,1|1,0,0]=3 448 B7R1.2 C[N+]1=CC(=O)O[N-]1 DY567615 [0,0,0,1,0,1|1,0,1]=4 449 B7R1.2 NC1CCC(O)C1 NO14798 [0,0,0,1,0,1|1,0,1]=4 450 B7R1.2 N[C@@H]1CC[C@@H](O)C1 NO12946 [0,0,0,1,0,1|1,0,1]=4 451 B7R1.2 N[C@@H]1COC(=O)C1 NO14340 [0,0,0,1,0,1|0,0,0]=2 452 B7R1.2 N[C@H]1CC[C@@H](O)C1 NO15869 [0,0,0,1,0,1|1,0,1]=4 453 B7R1.2 N[C@H]1CC[C@H](O)C1 DY620382 [0,0,0,1,0,1|1,0,1]=4 454 B7R1.2 N[C@H]1CNC(=O)C1 DY516501 [0,0,0,1,0,1|1,0,0]=3 455 B7R1.2 N[C@H]1CNC(=O)C1 DY535689 [0,0,0,1,0,1|1,0,0]=3 456 B7R1.2 N[C@H]1COC(=O)C1 NO14674 [0,0,0,1,0,1|0,0,0]=2 457 B7R1.2 O=C1CC(O)CN1 NO14706 [0,0,0,1,0,1|2,0,0]=4 458 B7R1.2 O=C1C[C@@H](O)CO1 DY622437 [0,0,0,1,0,1|1,0,0]=3 459 B7R1.2 O=C1C[C@H](O)CN1 NO16472 [0,0,0,1,0,1|2,0,0]=4 460 B7R1.12 O=C(O)[C@@H]1C[C@@H]1O DY758659 [0,0,0,1,0,1|1,0,0]=3 461 B7R1.12 O=C(O)[C@@H]1C[C@H]1O DY758671 [0,0,0,1,0,1|1,0,0]=3 462 B7R1.12 O=C(O)[C@H]1C[C@H]1F DY21162 [0,0,0,1,0,1|1,0,0]=3 463 B7R1.16 C[C@]1(N)C[C@@H](O)C1 DY103487 [0,0,0,1,0,1|1,0,1]=4 464 B7R1.16 NC1CS(=O)(=O)C1 DY577347 [0,0,0,1,0,1|1,0,1]=4 465 B7R1.20 O=C(O)C[C@H]1CO1 DY506016 [0,0,0,1,0,1|1,0,0]=3 466 B7R1.4 CC1CCOC1=O DY759320 [0,1,0,1,0,0|1,0,0]=3 467 B7R1.4 CC1OCCC1=O NO14135 [0,1,0,1,0,0|2,0,0]=4 468 B7R1.4 C[C@@H]1CCNC1=O DY546075 [0,1,0,1,0,0|2,0,0]=4 469 B7R1.4 C[C@H]1CCNC1=O DY560337 [0,1,0,1,0,0|2,0,0]=4 470 B7R1.4 NC1CCCC1O NO19404 [0,1,0,1,0,0|1,0,1]=4 471 B7R1.4 NC1CONC1=O NO19264 [0,1,0,1,0,0|0,0,0]=2 472 B7R1.4 NN1CCOC1=O DY774063 [0,1,0,1,0,0|1,0,0]=3 473 B7R1.4 N[C@@H]1CCC[C@@H]1O NO18884 [0,1,0,1,0,0|1,0,1]=4 474 B7R1.4 N[C@@H]1CCC[C@H]1O DY567117 [0,1,0,1,0,0|1,0,1]=4 475 B7R1.4 N[C@@H]1CCOC1=O NO18578 [0,1,0,1,0,0|0,0,0]=2 476 B7R1.4 N[C@@H]1COC[C@@H]1F DY539427 [0,1,0,1,0,0|1,0,1]=4 477 B7R1.4 N[C@@H]1COC[C@H]1N DY444023 [0,1,0,1,0,0|1,0,1]=4 478 B7R1.4 N[C@@H]1COC[C@H]1O DY105386 [0,1,0,1,0,0|0,0,2]=4 479 B7R1.4 N[C@@H]1CONC1=O NO22528 [0,1,0,1,0,0|0,0,0]=2 480 B7R1.4 N[C@@H]1CSC[C@H]1O DY559281 [0,1,0,1,0,0|0,1,1]=4 481 B7R1.4 N[C@H]1CCC[C@@H]1O NO15594 [0,1,0,1,0,0|1,0,1]=4 482 B7R1.4 N[C@H]1CCC[C@H]1O NO11147 [0,1,0,1,0,0|1,0,1]=4 483 B7R1.4 N[C@H]1CCOC1=O DY541269 [0,1,0,1,0,0|0,0,0]=2 484 B7R1.4 N[C@H]1COC[C@@H]1O DY586645 [0,1,0,1,0,0|0,0,2]=4 485 B7R1.4 O=C1CCCC1Cl DY567621 [0,1,0,1,0,0|2,0,0]=4 486 B7R1.4 O=C1NCCC1O DY444274 [0,1,0,1,0,0|2,0,0]=4 487 B7R1.4 O=C1NCC[C@@H]1O NO19486 [0,1,0,1,0,0|2,0,0]=4 488 B7R1.4 O=C1NCC[C@H]1O DY115910 [0,1,0,1,0,0|2,0,0]=4 489 B7R1.18 NC(=O)C1CNC1 DY10515 [0,1,0,1,0,0|1,0,0]=3 490 B7R1.18 NC(=O)C1CNC1 DY10516 [0,1,0,1,0,0|1,0,0]=3 491 B7R1.18 O=C(O)C1CCC1 NO22786 [0,1,0,1,0,0|1,0,0]=3 492 B7R1.18 O=C(O)C1CCN1 NO18844 [0,1,0,1,0,0|0,0,0]=2 493 B7R1.18 O=C(O)C1CNC1 NO16485 [0,1,0,1,0,0|0,0,0]=2 494 B7R1.18 O=C(O)C1COC1 NO22389 [0,1,0,1,0,0|1,0,0]=3 495 B7R1.18 O=C(O)[C@@H]1CCN1 DY718876 [0,1,0,1,0,0|0,0,0]=2 496 B7R1.18 O=C(O)[C@H]1CCN1 NO16493 [0,1,0,1,0,0|0,0,0]=2 497 B7R1.18 O=C(O)[C@H]1CCN1 NO16972 [0,1,0,1,0,0|0,0,0]=2 498 B7R1.19 NC1(C(=O)O)CC1 DY567315 [0,1,0,1,0,0|0,0,0]=2 499 B7R1.19 NC1(C(=O)O)CC1 NO16477 [0,1,0,1,0,0|0,0,0]=2 500 B7R1.19 O=C(O)C1(Br)CC1 NO15760 [0,1,0,1,0,0|1,0,0]=3 501 B7R1.19 O=C(O)C1(F)CC1 NO13809 [0,1,0,1,0,0|1,0,0]=3 502 B7R1.22 CCC(=O)C1CC1 DY566457 [0,1,0,1,0,0|2,0,0]=4 503 B7R1.22 N=C(NO)C1CC1 NO11781 [0,1,0,1,0,0|2,0,0]=4 504 B7R1.22 N\C(=N/O)C1CC1 DY584404 [0,1,0,1,0,0|2,0,0]=4 505 B7R1.22 O=C(CO)C1CC1 DY758275 [0,1,0,1,0,0|1,0,0]=3 506 B7R0.6 C=C(C)CCC(=O)O NO16527 [0,0,0,0,0,2|1,0,1]=4 507 B7R0.6 CC(=O)CCC(=O)O NO18688 [0,0,0,0,0,2|1,0,1]=4 508 B7R0.6 CC(=O)NCC(=O)O NO19131 [0,0,0,0,0,2|1,0,1]=4 509 B7R0.6 CC(=O)SCC(=O)O DY447723 [0,0,0,0,0,2|1,0,1]=4 510 B7R0.6 CN(C)CCC(=O)O NO12169 [0,0,0,0,0,2|2,0,0]=4 511 B7R0.6 N=C(N)NCC(=O)O DY550479 [0,0,0,0,0,2|1,0,1]=4