0 B5R0.5 C=C(Cl)C(=O)O C20609 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.5 C=C(N)C(=O)O C02218 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.5 CC(=N)C(=O)O C20904 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.5 CC(=O)C(=O)O C00022 [0,0,0,0,0,0|1,0,0]=1 4 B5R0.5 CC(=O)C(C)=O C00741 [0,0,0,0,0,0|0,0,0]=0 5 B5R0.5 CC(=O)C(C)O C00466 [0,0,0,0,0,0|0,0,2]=2 6 B5R0.5 CC(=O)N(C)C C20339 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.5 CC(=O)[C@@H](C)O C00810 [0,0,0,0,0,0|0,0,2]=2 8 B5R0.5 CC(=O)[C@H](C)O C01769 [0,0,0,0,0,0|0,0,2]=2 9 B5R0.5 CC(C)C(=O)O C02632 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.5 CC(C)[N+](=O)[O-] C02116 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.5 CC(N)C(=O)O C01401 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.5 CC(O)C(=O)O C01432 [0,0,0,0,0,0|1,0,2]=3 13 B5R0.5 CN(C)C(=O)Cl C19175 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.5 CN(C)C(=S)[S-] C11223 [0,0,0,0,0,0|3,1,0]=4 15 B5R0.5 CN(C)C(=S)[S-] C15229 [0,0,0,0,0,0|3,1,0]=4 16 B5R0.5 C[C@@H](N)C(=O)O C00133 [0,0,0,0,0,0|2,0,1]=3 17 B5R0.5 C[C@@H](O)C(=O)O C00256 [0,0,0,0,0,0|1,0,2]=3 18 B5R0.5 C[C@@H](O)[C@@H](C)O C03044 [0,0,0,0,0,0|0,0,4]=4 19 B5R0.5 C[C@H](Cl)C(=O)O C20608 [0,0,0,0,0,0|2,0,1]=3 20 B5R0.5 C[C@H](N)C(=O)O C00041 [0,0,0,0,0,0|2,0,1]=3 21 B5R0.5 C[C@H](O)C(=O)O C00186 [0,0,0,0,0,0|1,0,2]=3 22 B5R0.5 C[C@H](O)[C@@H](C)O C20657 [0,0,0,0,0,0|0,0,4]=4 23 B5R0.5 C[C@H](O)[C@H](C)O C03046 [0,0,0,0,0,0|0,0,4]=4 24 B5R0.5 ClC(Cl)=C(Cl)Cl C06789 [0,0,0,0,0,0|4,0,0]=4 25 B5R0.5 FC(F)=C(F)F C19299 [0,0,0,0,0,0|4,0,0]=4 26 B5R0.5 NC(=O)C(=O)O C01444 [0,0,0,0,0,0|2,0,0]=2 27 B5R0.5 O=C(Cl)C(Cl)Cl C14867 [0,0,0,0,0,0|3,0,1]=4 28 B5R0.5 O=C(O)C(=O)O C00209 [0,0,0,0,0,0|2,0,0]=2 29 B5R0.5 O=C(O)C(Br)Br C20123 [0,0,0,0,0,0|3,0,1]=4 30 B5R0.5 O=C(O)C(Cl)Br C19212 [0,0,0,0,0,0|3,0,1]=4 31 B5R0.5 O=C(O)C(Cl)Cl C11149 [0,0,0,0,0,0|3,0,1]=4 32 B5R0.5 O=C([O-])C(=O)[O-] C17478 [0,0,0,0,0,0|2,0,0]=2 33 B5R0.5 [*]C(=O)C(=O)O C00161 [0,0,0,0,0,0|2,0,0]=2 34 B5R0.5 [*]C(=O)C([*])O C01398 [0,0,0,0,0,0|2,0,2]=4 35 B5R0.5 [*]C(=O)[C@H]([*])N C01076 [0,0,0,0,0,0|3,0,1]=4 36 B5R0.5 [*]C(C)C(=O)O C06389 [0,0,0,0,0,0|2,0,1]=3 37 B5R0.5 [*]C(N)C(=O)O C00045 [0,0,0,0,0,0|3,0,1]=4 38 B5R0.5 [*]C(N)C(=O)O C05167 [0,0,0,0,0,0|3,0,1]=4 39 B5R0.5 [*]C(O)C(=O)O C02929 [0,0,0,0,0,0|2,0,2]=4 40 B5R0.5 [*]C([*])C(=O)O C02103 [0,0,0,0,0,0|3,0,1]=4 41 B5R0.5 [*]C([*])C(=O)O C15564 [0,0,0,0,0,0|3,0,1]=4 42 B5R0.5 [*][C@@H](N)C(=O)O C00405 [0,0,0,0,0,0|3,0,1]=4 43 B5R0.5 [*][C@@H](O)C(=O)O C02489 [0,0,0,0,0,0|2,0,2]=4 44 B5R0.5 [*][C@H](N)C(=O)O C00151 [0,0,0,0,0,0|3,0,1]=4 45 B5R0.5 [*][C@H](O)C(=O)O C15565 [0,0,0,0,0,0|2,0,2]=4 46 B4R0.1 C#CC(=O)O C00804 [1,0,0,0,0,0|1,0,2]=4 47 B4R0.1 C(=O)C(C)O C05999 [1,0,0,0,0,0|0,0,2]=3 48 B4R0.1 C(=O)N(C)C C03134 [1,0,0,0,0,0|2,0,0]=3 49 B4R0.1 C=C(C)CCl C19363 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.1 C=CC(=C)C C16521 [1,0,0,0,0,0|1,0,1]=3 51 B4R0.1 C=CC(=C)Cl C19208 [1,0,0,0,0,0|1,0,2]=4 52 B4R0.1 C=CC(=C)Cl C19502 [1,0,0,0,0,0|1,0,2]=4 53 B4R0.1 C=CC(=O)O C00511 [1,0,0,0,0,0|1,0,1]=3 54 B4R0.1 C=CC(=O)O C19501 [1,0,0,0,0,0|1,0,1]=3 55 B4R0.1 C=CC(C)=O C20701 [1,0,0,0,0,0|0,0,1]=2 56 B4R0.1 C=CC(N)=O C01659 [1,0,0,0,0,0|1,0,1]=3 57 B4R0.1 CC(=O)C=O C00546 [1,0,0,0,0,0|0,0,0]=1 58 B4R0.1 CC(=O)CN C01888 [1,0,0,0,0,0|1,0,1]=3 59 B4R0.1 CC(=O)CO C05235 [1,0,0,0,0,0|0,0,2]=3 60 B4R0.1 CC(=O)NN C07447 [1,0,0,0,0,0|2,0,0]=3 61 B4R0.1 CC(=O)NO C06808 [1,0,0,0,0,0|1,0,1]=3 62 B4R0.1 CC(C)=CCl C19206 [1,0,0,0,0,0|2,0,0]=3 63 B4R0.1 CC(C)=NO C01995 [1,0,0,0,0,0|2,0,1]=4 64 B4R0.1 CC=[N+]([O-])[O-] C18091 [1,0,0,0,0,0|2,0,1]=4 65 B4R0.1 CCC(=O)O C00163 [1,0,0,0,0,0|1,0,1]=3 66 B4R0.1 CCC(C)=O C02845 [1,0,0,0,0,0|0,0,1]=2 67 B4R0.1 CCC(C)N C18706 [1,0,0,0,0,0|1,0,2]=4 68 B4R0.1 CC[N+](=O)[O-] C01837 [1,0,0,0,0,0|2,0,1]=4 69 B4R0.1 CN(C)N=O C14704 [1,0,0,0,0,0|3,0,0]=4 70 B4R0.1 CNC(=N)N C02294 [1,0,0,0,0,0|3,0,0]=4 71 B4R0.1 CNC(=S)[S-] C18424 [1,0,0,0,0,0|2,1,0]=4 72 B4R0.1 CNC(N)=O C16363 [1,0,0,0,0,0|2,0,0]=3 73 B4R0.1 COC(C)=O C17530 [1,0,0,0,0,0|1,0,0]=2 74 B4R0.1 COC(N)=O C19445 [1,0,0,0,0,0|2,0,0]=3 75 B4R0.1 C[C@@H](O)C=O C00937 [1,0,0,0,0,0|0,0,2]=3 76 B4R0.1 C[C@H](O)C=O C00424 [1,0,0,0,0,0|0,0,2]=3 77 B4R0.1 ClC=C(Cl)Cl C06790 [1,0,0,0,0,0|3,0,0]=4 78 B4R0.1 N=CC(=O)O C15809 [1,0,0,0,0,0|2,0,0]=3 79 B4R0.1 NC(=O)CF C18675 [1,0,0,0,0,0|2,0,1]=4 80 B4R0.1 NC(=O)NO C07044 [1,0,0,0,0,0|2,0,1]=4 81 B4R0.1 NCC(=O)O C00037 [1,0,0,0,0,0|2,0,1]=4 82 B4R0.1 NNC(N)=O C02077 [1,0,0,0,0,0|3,0,0]=4 83 B4R0.1 NNC(N)=O C19521 [1,0,0,0,0,0|3,0,0]=4 84 B4R0.1 O=C(Cl)CCl C14859 [1,0,0,0,0,0|2,0,1]=4 85 B4R0.1 O=C(O)CCl C06755 [1,0,0,0,0,0|2,0,1]=4 86 B4R0.1 O=C(O)CF C06108 [1,0,0,0,0,0|2,0,1]=4 87 B4R0.1 O=C(O)CO C00160 [1,0,0,0,0,0|1,0,2]=4 88 B4R0.1 O=C(O)CO C03547 [1,0,0,0,0,0|1,0,2]=4 89 B4R0.1 O=C(O)CS C02086 [1,0,0,0,0,0|1,1,1]=4 90 B4R0.1 O=C([O-])CF C18588 [1,0,0,0,0,0|2,0,1]=4 91 B4R0.1 O=CC(=O)O C00048 [1,0,0,0,0,0|1,0,0]=2 92 B4R0.1 O=CC(Cl)Cl C14858 [1,0,0,0,0,0|2,0,1]=4 93 B4R0.1 S\C(Cl)=C/Cl C20318 [1,0,0,0,0,0|2,1,0]=4 94 B4R0.1 [*]C(=O)C=O C00538 [1,0,0,0,0,0|1,0,0]=2 95 B4R0.1 [*]C(=O)C=O C01928 [1,0,0,0,0,0|1,0,0]=2 96 B4R0.1 [*]C(=O)CO C03667 [1,0,0,0,0,0|1,0,2]=4 97 B4R0.1 [*]C(=O)NO C06443 [1,0,0,0,0,0|2,0,1]=4 98 B4R0.1 [*]C(=O)OC C03395 [1,0,0,0,0,0|2,0,0]=3 99 B4R0.1 [*]C(O)C=O C01370 [1,0,0,0,0,0|1,0,2]=4 100 B4R0.1 [*]C(O)C=O C06461 [1,0,0,0,0,0|1,0,2]=4 101 B4R0.1 [*]CC(=O)O C01812 [1,0,0,0,0,0|2,0,1]=4 102 B4R0.1 [*]NC(C)=O C02998 [1,0,0,0,0,0|2,0,0]=3 103 B4R0.1 [*]NC([*])=O C01658 [1,0,0,0,0,0|3,0,0]=4 104 B4R0.1 [*]OC(C)=O C01883 [1,0,0,0,0,0|2,0,0]=3 105 B4R0.1 [*]OC(C)=O C03707 [1,0,0,0,0,0|2,0,0]=3 106 B4R0.1 [*]OC([*])=O C02391 [1,0,0,0,0,0|3,0,0]=4 107 B4R0.1 [*]SC(C)=O C03939 [1,0,0,0,0,0|2,0,0]=3 108 B4R0.1 [*]SC(C)=O C04334 [1,0,0,0,0,0|2,0,0]=3 109 B6R0.3 C=C(C)C(=O)OC C14527 [0,1,0,0,0,0|1,0,0]=2 110 B6R0.3 C=C(C)C(=O)OC C19504 [0,1,0,0,0,0|1,0,0]=2 111 B6R0.3 CC(=O)\C(C)=N\O C07509 [0,1,0,0,0,0|0,0,1]=2 112 B6R0.3 CC(C=O)C(=O)O C00349 [0,1,0,0,0,0|1,0,1]=3 113 B6R0.3 CC(CN)C(=O)O C05145 [0,1,0,0,0,0|2,0,1]=4 114 B6R0.3 CC(CO)C(=O)O C01188 [0,1,0,0,0,0|1,0,2]=4 115 B6R0.3 CCC(=N)C(=O)O C20905 [0,1,0,0,0,0|2,0,0]=3 116 B6R0.3 CCC(=O)C(=O)O C00109 [0,1,0,0,0,0|1,0,0]=2 117 B6R0.3 CCC(C)C(=O)O C18319 [0,1,0,0,0,0|2,0,1]=4 118 B6R0.3 CC[C@@H](N)C(=O)O C02261 [0,1,0,0,0,0|2,0,1]=4 119 B6R0.3 CC[C@H](N)C(=O)O C02356 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.3 CC[C@H](O)C(=O)O C05984 [0,1,0,0,0,0|1,0,2]=4 121 B6R0.3 CN(N=O)C(N)=O C14595 [0,1,0,0,0,0|2,0,0]=3 122 B6R0.3 CN[C@@H](C)C(=O)O C02721 [0,1,0,0,0,0|2,0,1]=4 123 B6R0.3 C[C@@H](C=O)C(=O)O C06002 [0,1,0,0,0,0|1,0,1]=3 124 B6R0.3 C[C@@H](CN)C(=O)O C03284 [0,1,0,0,0,0|2,0,1]=4 125 B6R0.3 C[C@@H](CO)C(=O)O C06001 [0,1,0,0,0,0|1,0,2]=4 126 B6R0.3 C[C@H](C=O)C(=O)O C21030 [0,1,0,0,0,0|1,0,1]=3 127 B6R0.3 C[C@H](CN)C(=O)O C01205 [0,1,0,0,0,0|2,0,1]=4 128 B6R0.3 C\C(=N\O)C(=O)O C02193 [0,1,0,0,0,0|1,0,1]=3 129 B6R0.3 C\C=C(/C)C(=O)O C08279 [0,1,0,0,0,0|2,0,0]=3 130 B6R0.3 C\C=C(/N)C(=O)O C17234 [0,1,0,0,0,0|2,0,0]=3 131 B6R0.3 NC(CO)C(=O)O C00716 [0,1,0,0,0,0|2,0,1]=4 132 B6R0.3 NC(CS)C(=O)O C00736 [0,1,0,0,0,0|2,0,1]=4 133 B6R0.3 NCC(F)C(=O)O C16632 [0,1,0,0,0,0|2,0,1]=4 134 B6R0.3 NCC(N)C(=O)O C06393 [0,1,0,0,0,0|2,0,1]=4 135 B6R0.3 NC[C@H](N)C(=O)O C03401 [0,1,0,0,0,0|2,0,1]=4 136 B6R0.3 N[C@@H](C=O)C(=O)O C11822 [0,1,0,0,0,0|2,0,1]=4 137 B6R0.3 N[C@@H](CCl)C(=O)O C02635 [0,1,0,0,0,0|2,0,1]=4 138 B6R0.3 N[C@@H](CO)C(=O)O C00065 [0,1,0,0,0,0|2,0,1]=4 139 B6R0.3 N[C@@H](CS)C(=O)O C00097 [0,1,0,0,0,0|2,0,1]=4 140 B6R0.3 N[C@H](CCl)C(=O)O C02634 [0,1,0,0,0,0|2,0,1]=4 141 B6R0.3 N[C@H](CF)C(=O)O C02638 [0,1,0,0,0,0|2,0,1]=4 142 B6R0.3 N[C@H](CO)C(=O)O C00740 [0,1,0,0,0,0|2,0,1]=4 143 B6R0.3 N[C@H](CS)C(=O)O C00793 [0,1,0,0,0,0|2,0,1]=4 144 B6R0.3 O=C(O)C(=O)CO C00168 [0,1,0,0,0,0|1,0,0]=2 145 B6R0.3 O=C(O)C(=O)CS C00957 [0,1,0,0,0,0|1,0,0]=2 146 B6R0.3 O=C(O)[C@@H](O)CS C05823 [0,1,0,0,0,0|1,0,2]=4 147 B6R0.3 O=C(O)[C@H](O)CO C00258 [0,1,0,0,0,0|1,0,2]=4 148 B6R0.3 O=CC(O)C(=O)O C01146 [0,1,0,0,0,0|2,0,1]=4 149 B6R0.3 [*]C(=O)[C@@H](N)CS C21487 [0,1,0,0,0,0|2,0,1]=4 150 B6R0.3 [*]C(O)C(=O)CO C02319 [0,1,0,0,0,0|1,0,2]=4 151 B6R0.3 [*]CC(=O)C(=O)O C00972 [0,1,0,0,0,0|1,0,0]=2 152 B6R0.3 [*]CC(=O)C(=O)O C17265 [0,1,0,0,0,0|1,0,0]=2 153 B6R0.3 [*]CC(N)C(=O)O C17266 [0,1,0,0,0,0|2,0,1]=4 154 B6R0.3 [*]CC(O)C(=O)O C05102 [0,1,0,0,0,0|1,0,2]=4 155 B6R0.3 [*]C[C@H](N)C(=O)O C01021 [0,1,0,0,0,0|2,0,1]=4 156 B6R0.3 [*]NC(=O)[C@H](C)N C03803 [0,1,0,0,0,0|2,0,1]=4 157 B6R0.3 [*][C@H](NC)C(=O)O C03148 [0,1,0,0,0,0|2,0,1]=4 158 B6R0.3 [*]\C(=N/O)C(=O)O C05718 [0,1,0,0,0,0|2,0,1]=4 159 B6R0.3 [SeH]C[C@H](N)C(=O)O C05688 [0,1,0,0,0,0|2,0,1]=4 160 B6R0.7 CC(C)(N)C(=O)O C03665 [0,1,0,0,0,0|2,0,1]=4 161 B6R0.7 CC(C)(O)C(=O)O C21297 [0,1,0,0,0,0|1,0,2]=4 162 B6R0.7 CC(Cl)(Cl)C(=O)O C18600 [0,1,0,0,0,0|2,0,1]=4 163 B6R0.7 O=C(O)P(=O)(O)O C06456 [0,1,0,0,0,0|3,0,0]=4 164 B6R1.11 O=C(O)C1CC1 C16267 [0,0,0,1,0,0|2,0,1]=4 165 B6R0.2 CC(=O)CC(=O)O C00164 [0,0,0,0,0,1|1,0,0]=2 166 B6R0.2 CC(=O)CC(=O)[O-] C17688 [0,0,0,0,0,1|1,0,0]=2 167 B6R0.2 CC(=O)CC(C)=O C15499 [0,0,0,0,0,1|0,0,0]=1 168 B6R0.2 CC(=O)CC(C)C C19263 [0,0,0,0,0,1|1,0,1]=3 169 B6R0.2 CC(=O)CC(N)=O C11106 [0,0,0,0,0,1|1,0,0]=2 170 B6R0.2 CC(C)CC(=O)O C08262 [0,0,0,0,0,1|2,0,1]=4 171 B6R0.2 CC(O)CC(N)=O C11109 [0,0,0,0,0,1|1,0,2]=4 172 B6R0.2 CN(C)CC(=O)O C01026 [0,0,0,0,0,1|3,0,0]=4 173 B6R0.2 C[C@@H](O)CC(=O)O C01089 [0,0,0,0,0,1|1,0,2]=4 174 B6R0.2 C[C@H](O)CC(=O)O C03197 [0,0,0,0,0,1|1,0,2]=4 175 B6R0.2 C[S+](C)CC(=O)O C03392 [0,0,0,0,0,1|3,0,0]=4 176 B6R0.2 NC(=O)CC(=O)O C04131 [0,0,0,0,0,1|2,0,0]=3 177 B6R0.2 NC(=O)NC(=O)O C01010 [0,0,0,0,0,1|2,0,0]=3 178 B6R0.2 NC(=O)NC(N)=O C06555 [0,0,0,0,0,1|2,0,0]=3 179 B6R0.2 O=C(O)CC(=O)O C00383 [0,0,0,0,0,1|2,0,0]=3 180 B6R0.2 O=C(O)CC(=O)O C02028 [0,0,0,0,0,1|2,0,0]=3 181 B6R0.2 O=C(O)CC(=O)O C04025 [0,0,0,0,0,1|2,0,0]=3 182 B6R0.2 [*]C(=O)CC(=O)O C01656 [0,0,0,0,0,1|2,0,0]=3 183 B3R0.1 C#CC=O C05985 [2,0,0,0,0,0|0,0,2]=4 184 B3R0.1 C(=O)NC C11489 [2,0,0,0,0,0|1,0,0]=3 185 B3R0.1 C=CC=C C16450 [2,0,0,0,0,0|0,0,2]=4 186 B3R0.1 C=CC=O C01471 [2,0,0,0,0,0|0,0,1]=3 187 B3R0.1 CCC=O C00479 [2,0,0,0,0,0|0,0,1]=3 188 B3R0.1 CCCC C21390 [2,0,0,0,0,0|0,0,2]=4 189 B3R0.1 CNN=O C19568 [2,0,0,0,0,0|2,0,0]=4 190 B3R0.1 CNNC C19176 [2,0,0,0,0,0|2,0,0]=4 191 B3R0.1 CSSC C08371 [2,0,0,0,0,0|2,0,0]=4 192 B3R0.1 Cl\C=C/Cl C06792 [2,0,0,0,0,0|2,0,0]=4 193 B3R0.1 Cl\C=C\Cl C06791 [2,0,0,0,0,0|2,0,0]=4 194 B3R0.1 NCC=O C06735 [2,0,0,0,0,0|1,0,1]=4 195 B3R0.1 O=CC=O C14448 [2,0,0,0,0,0|0,0,0]=2 196 B3R0.1 O=CCBr C14870 [2,0,0,0,0,0|1,0,1]=4 197 B3R0.1 O=CCCl C06754 [2,0,0,0,0,0|1,0,1]=4 198 B3R0.1 O=CCF C15488 [2,0,0,0,0,0|1,0,1]=4 199 B3R0.1 O=CCO C00266 [2,0,0,0,0,0|0,0,2]=4 200 B3R0.1 [*]NC=O C06049 [2,0,0,0,0,0|2,0,0]=4 201 B3R0.1 [*]\C=C\[*] C01372 [2,0,0,0,0,0|2,0,0]=4 202 B3R0.1 [*]\C=C\[*] C01706 [2,0,0,0,0,0|2,0,0]=4 203 B3R0.2 C=C(Cl)Cl C14039 [2,0,0,0,0,0|2,0,0]=4 204 B3R0.2 C=C(Cl)Cl C18992 [2,0,0,0,0,0|2,0,0]=4 205 B3R0.2 C=C(F)F C19547 [2,0,0,0,0,0|2,0,0]=4 206 B3R0.2 CC(=O)O C00033 [2,0,0,0,0,0|0,0,1]=3 207 B3R0.2 CC(=O)S C01857 [2,0,0,0,0,0|0,1,0]=3 208 B3R0.2 CC(=O)[O-] C12554 [2,0,0,0,0,0|0,0,1]=3 209 B3R0.2 CC(C)=O C00207 [2,0,0,0,0,0|0,0,0]=2 210 B3R0.2 CC(C)N C06748 [2,0,0,0,0,0|1,0,1]=4 211 B3R0.2 CC(C)O C01845 [2,0,0,0,0,0|0,0,2]=4 212 B3R0.2 CC(C)S C08391 [2,0,0,0,0,0|0,1,1]=4 213 B3R0.2 CC(N)=O C06244 [2,0,0,0,0,0|1,0,0]=3 214 B3R0.2 CC(N)=S C19302 [2,0,0,0,0,0|1,1,0]=4 215 B3R0.2 CN(C)C C00565 [2,0,0,0,0,0|2,0,0]=4 216 B3R0.2 CN(C)N C19233 [2,0,0,0,0,0|2,0,0]=4 217 B3R0.2 CS(=O)O C21398 [2,0,0,0,0,0|1,0,1]=4 218 B3R0.2 CS(C)=O C11143 [2,0,0,0,0,0|1,0,0]=3 219 B3R0.2 C[As](C)O C20300 [2,0,0,0,0,0|1,0,1]=4 220 B3R0.2 C[N+](=O)[O-] C19275 [2,0,0,0,0,0|1,0,1]=4 221 B3R0.2 C[S+](C)C C01008 [2,0,0,0,0,0|2,0,0]=4 222 B3R0.2 C[Se+](C)C C18872 [2,0,0,0,0,0|2,0,0]=4 223 B3R0.2 C[Se](=O)O C18902 [2,0,0,0,0,0|1,0,1]=4 224 B3R0.2 NC(=O)O C01563 [2,0,0,0,0,0|1,0,1]=4 225 B3R0.2 NC(N)=O C00086 [2,0,0,0,0,0|2,0,0]=4 226 B3R0.2 O=Br(=O)[O-] C19295 [2,0,0,0,0,0|2,0,0]=4 227 B3R0.2 O=C(O)O C01353 [2,0,0,0,0,0|1,0,1]=4 228 B3R0.2 O=C([O-])O C00288 [2,0,0,0,0,0|1,0,1]=4 229 B3R0.2 O=C([O-])O C12603 [2,0,0,0,0,0|1,0,1]=4 230 B3R0.2 O=C([O-])O C18606 [2,0,0,0,0,0|1,0,1]=4 231 B3R0.2 O=C([O-])[O-] C07964 [2,0,0,0,0,0|1,0,1]=4 232 B3R0.2 O=C([O-])[O-] C08129 [2,0,0,0,0,0|1,0,1]=4 233 B3R0.2 O=C([O-])[O-] C12893 [2,0,0,0,0,0|1,0,1]=4 234 B3R0.2 O=Cl(=O)O C01485 [2,0,0,0,0,0|2,0,0]=4 235 B3R0.2 O=Cl(=O)[O-] C18765 [2,0,0,0,0,0|2,0,0]=4 236 B3R0.2 O=I(=O)[O-] C18366 [2,0,0,0,0,0|2,0,0]=4 237 B3R0.2 O=N(=O)O C00244 [2,0,0,0,0,0|2,0,0]=4 238 B3R0.2 [*]C(=O)O C00162 [2,0,0,0,0,0|1,0,1]=4 239 B3R0.2 [*]C(=O)[O-] C00060 [2,0,0,0,0,0|1,0,1]=4 240 B3R0.2 [*]C(=O)[O-] C02403 [2,0,0,0,0,0|1,0,1]=4 241 B3R0.2 [*]C(N)=O C00241 [2,0,0,0,0,0|2,0,0]=4 242 B3R0.2 [*]C(N)=O C01663 [2,0,0,0,0,0|2,0,0]=4 243 B3R0.2 [*]C(N)=O C03620 [2,0,0,0,0,0|2,0,0]=4 244 B3R0.2 [*]C([*])=O C01450 [2,0,0,0,0,0|2,0,0]=4 245 B3R0.2 [*]C([*])=O C02146 [2,0,0,0,0,0|2,0,0]=4 246 B3R0.2 [*]N(=O)=O C06058 [2,0,0,0,0,0|2,0,0]=4 247 B5R0.1 C=COC(C)=O C19309 [1,1,0,0,0,0|0,0,1]=3 248 B5R0.1 C=COC(C)=O C19546 [1,1,0,0,0,0|0,0,1]=3 249 B5R0.1 CC(=O)NCN C02297 [1,1,0,0,0,0|1,0,0]=3 250 B5R0.1 CC(C)=CC=O C07330 [1,1,0,0,0,0|1,0,0]=3 251 B5R0.1 CC(C)=CCO C01390 [1,1,0,0,0,0|1,0,0]=3 252 B5R0.1 CC(C)CC=O C07329 [1,1,0,0,0,0|1,0,1]=4 253 B5R0.1 CCCC(=O)O C00246 [1,1,0,0,0,0|1,0,1]=4 254 B5R0.1 CCCC(C)=O C01949 [1,1,0,0,0,0|0,0,1]=3 255 B5R0.1 CCNC(C)=O C21404 [1,1,0,0,0,0|0,0,1]=3 256 B5R0.1 CCOC(C)=O C00849 [1,1,0,0,0,0|0,0,1]=3 257 B5R0.1 CCOC(N)=O C01537 [1,1,0,0,0,0|1,0,1]=4 258 B5R0.1 CNCC(=O)O C00213 [1,1,0,0,0,0|1,0,1]=4 259 B5R0.1 CSCC(=O)O C03173 [1,1,0,0,0,0|1,0,1]=4 260 B5R0.1 C\C=C\C(=O)O C01771 [1,1,0,0,0,0|1,0,0]=3 261 B5R0.1 NC(=O)NCO C06384 [1,1,0,0,0,0|2,0,0]=4 262 B5R0.1 NCCC(=O)O C00099 [1,1,0,0,0,0|1,0,1]=4 263 B5R0.1 NCCC(N)=O C19779 [1,1,0,0,0,0|1,0,1]=4 264 B5R0.1 NCNC(N)=O C06383 [1,1,0,0,0,0|2,0,0]=4 265 B5R0.1 N\C=C/C(=O)O C20253 [1,1,0,0,0,0|1,0,1]=4 266 B5R0.1 O=C(O)CCO C01013 [1,1,0,0,0,0|1,0,1]=4 267 B5R0.1 O=C(O)\C=C/Cl C06615 [1,1,0,0,0,0|1,0,1]=4 268 B5R0.1 O=C(O)\C=C\Cl C06614 [1,1,0,0,0,0|1,0,1]=4 269 B5R0.1 O=C(O)\C=C\O C12069 [1,1,0,0,0,0|1,0,1]=4 270 B5R0.1 O=CCC(=O)O C00222 [1,1,0,0,0,0|1,0,0]=3 271 B5R0.1 [*]C(=O)OCC C04202 [1,1,0,0,0,0|1,0,1]=4 272 B5R0.1 [*]CCC(=O)O C00347 [1,1,0,0,0,0|1,0,1]=4 273 B5R0.1 [*]CCC(=O)O C00638 [1,1,0,0,0,0|1,0,1]=4 274 B5R0.1 [*]COC([*])=O C02434 [1,1,0,0,0,0|2,0,0]=4 275 B5R0.1 [*]\C=C\C(=O)O C11823 [1,1,0,0,0,0|1,0,1]=4 276 B5R0.3 C=CC(=O)OC C19443 [1,1,0,0,0,0|0,0,1]=3 277 B5R0.3 C=CN(C)N=O C19282 [1,1,0,0,0,0|1,0,1]=4 278 B5R0.3 CCC(C)C=O C02223 [1,1,0,0,0,0|0,0,2]=4 279 B5R0.3 CCN(C)N=O C19281 [1,1,0,0,0,0|1,0,1]=4 280 B5R0.3 CN(C=O)CO C11488 [1,1,0,0,0,0|1,0,1]=4 281 B5R0.3 CNC(=O)NC C16364 [1,1,0,0,0,0|1,0,0]=3 282 B5R0.3 O=C(CO)CO C00184 [1,1,0,0,0,0|0,0,2]=4 283 B5R0.3 O=CC(O)CO C02154 [1,1,0,0,0,0|0,0,2]=4 284 B5R0.3 O=C[C@@H](O)CO C02426 [1,1,0,0,0,0|0,0,2]=4 285 B5R0.3 O=C[C@H](O)CO C00577 [1,1,0,0,0,0|0,0,2]=4 286 B5R0.3 P(=O)(OC)OC C19406 [1,1,0,0,0,0|2,0,0]=4 287 B5R0.4 CC(C)(O)C=O C21291 [1,1,0,0,0,0|0,0,2]=4 288 B5R0.4 COS(C)(=O)=O C19181 [1,1,0,0,0,0|2,0,0]=4 289 B5R0.4 O=CP(=O)(O)O C17943 [1,1,0,0,0,0|2,0,0]=4 290 B7R0.2 CCC(=O)CC(=O)O C02233 [0,1,0,0,0,1|1,0,0]=3 291 B7R0.2 CN(CC(=O)O)N=O C19286 [0,1,0,0,0,1|2,0,0]=4 292 B7R0.2 COC(=O)NC(N)=O C10899 [0,1,0,0,0,1|1,0,0]=3 293 B7R0.2 [*]CC([*])OC(C)=O C12282 [0,1,0,0,0,1|1,0,1]=4 294 B7R0.2 [*]SC(=O)CC(=O)O C01209 [0,1,0,0,0,1|2,0,0]=4 295 B7R0.2 [*]SC(=O)CC(C)=O C05744 [0,1,0,0,0,1|1,0,0]=3 296 B7R0.2 [*]SC(=O)CC(N)=O C21430 [0,1,0,0,0,1|2,0,0]=4 297 B7R0.2 [*]SC(=O)CC([*])=O C00685 [0,1,0,0,0,1|2,0,0]=4 298 B7R0.9 CC(=O)OP(=O)(O)O C00227 [0,1,0,0,0,1|2,0,0]=4 299 B7R0.16 CC(=O)C(N)C(=O)O C03214 [0,1,0,0,0,1|1,0,0]=3 300 B7R0.16 CC(=O)[C@H](N)C(=O)O C03508 [0,1,0,0,0,1|1,0,0]=3 301 B7R0.16 CC(C(=O)O)C(=O)O C02170 [0,1,0,0,0,1|2,0,0]=4 302 B7R0.16 NC(C(=O)O)C(=O)O C00872 [0,1,0,0,0,1|2,0,0]=4 303 B7R0.16 O=C(O)C(=O)C(=O)O C00830 [0,1,0,0,0,1|2,0,0]=4 304 B7R0.16 O=C(O)C(O)C(=O)O C02287 [0,1,0,0,0,1|2,0,0]=4 305 B7R0.16 [*]C(=O)[C@@H]([*])C(=O)O C21651 [0,1,0,0,0,1|2,0,0]=4 306 B7R0.5 CCCC(=O)C(=O)O C06255 [0,2,0,0,0,0|1,0,0]=3 307 B7R0.5 C[Se]CC(=O)C(=O)O C18904 [0,2,0,0,0,0|1,0,0]=3 308 B7R0.5 O=CCC(=O)C(=O)O C02150 [0,2,0,0,0,0|1,0,0]=3 309 B7R0.10 CCC(=O)C(O)CC C02948 [0,2,0,0,0,0|0,0,2]=4 310 B7R0.10 COC(=O)C(=O)OC C10900 [0,2,0,0,0,0|0,0,0]=2 311 B7R0.10 CSC(=O)[C@H](O)CO C03804 [0,2,0,0,0,0|0,0,2]=4 312 B7R0.10 C\C(=C\N)C(=O)OO C20250 [0,2,0,0,0,0|2,0,0]=4 313 B7R0.10 O=C(CO)[C@@H](O)CO C02045 [0,2,0,0,0,0|0,0,2]=4 314 B7R0.10 O=C(CO)[C@H](O)CO C02022 [0,2,0,0,0,0|0,0,2]=4 315 B7R0.15 CCN(N=O)C(N)=O C19178 [0,2,0,0,0,0|2,0,0]=4 316 B5R1.2 O=C1CCO1 C19297 [1,0,0,1,0,0|1,0,0]=3 317 B5R1.3 O=CC1CO1 C19246 [1,0,0,1,0,0|0,0,2]=4 318 B7R1.2 O=C1C=CC(=O)N1 C07272 [0,0,0,1,0,1|0,0,2]=4 319 B7R1.2 O=C1CCC(=O)N1 C07273 [0,0,0,1,0,1|0,0,0]=2 320 B7R1.2 O=C1CCC(=O)O1 C19524 [0,0,0,1,0,1|0,0,0]=2 321 B7R1.2 O=C1CNC(=O)N1 C05146 [0,0,0,1,0,1|1,0,0]=3 322 B7R1.2 O=C1CSC(=S)N1 C07280 [0,0,0,1,0,1|1,1,0]=4 323 B7R1.4 C=C1CCOC1=O C20578 [0,1,0,1,0,0|1,0,0]=3 324 B7R1.4 CN1CCCC1=O C11118 [0,1,0,1,0,0|2,0,0]=4 325 B7R1.4 NC1CCOC1=O C02926 [0,1,0,1,0,0|1,0,1]=4 326 B7R1.4 N[C@H]1CCOC1=O C19777 [0,1,0,1,0,0|1,0,1]=4 327 B7R1.15 O=C1C=C(O)C1=O C20592 [0,1,0,1,0,0|0,0,2]=4 328 B7R0.6 CC(=O)NNC(C)=O C16622 [0,0,0,0,0,2|0,0,0]=2 329 B7R0.6 CC(=O)\C=C/C(=O)O C07091 [0,0,0,0,0,2|1,0,0]=3 330 B7R0.6 NC(=O)\C=C/C(=O)O C01596 [0,0,0,0,0,2|2,0,0]=4 331 B7R0.6 O=C(O)C#CC(=O)O C03248 [0,0,0,0,0,2|2,0,0]=4 332 B7R0.6 O=C(O)CCC(=O)O C00042 [0,0,0,0,0,2|2,0,0]=4 333 B7R0.6 O=C(O)\C=C/C(=O)O C01384 [0,0,0,0,0,2|2,0,0]=4 334 B7R0.6 O=C(O)\C=C\C(=O)O C00122 [0,0,0,0,0,2|2,0,0]=4 335 B7R0.6 [*]C(=O)NCC(=O)O C02055 [0,0,0,0,0,2|2,0,0]=4