0 B5R0.1 C=COC(C)=O C19309 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 C=COC(C)=O C19546 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 CC(C)=CC=O C07330 [0,0,0,0,0,0|0,0,2]=2 3 B5R0.1 CC(C)=CCO C01390 [0,0,0,0,0,0|0,0,4]=4 4 B5R0.1 CC(C)CC=O C07329 [0,0,0,0,0,0|0,0,0]=0 5 B5R0.1 CC(C)CCN C02640 [0,0,0,0,0,0|1,0,1]=2 6 B5R0.1 CC(C)CCO C07328 [0,0,0,0,0,0|0,0,2]=2 7 B5R0.1 CC(C)CNO C21369 [0,0,0,0,0,0|1,0,1]=2 8 B5R0.1 CC(C)\C=N/O C20315 [0,0,0,0,0,0|1,0,2]=3 9 B5R0.1 CC(C)\C=N\O C03219 [0,0,0,0,0,0|1,0,2]=3 10 B5R0.1 CC(O)CCO C20335 [0,0,0,0,0,0|1,0,2]=3 11 B5R0.1 CCCC(C)=O C01949 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.1 O=CCC(=O)O C00222 [0,0,0,0,0,0|2,0,1]=3 13 B4R0.1 C(=O)C(C)O C05999 [1,0,0,0,0,0|1,0,0]=2 14 B4R0.1 C(=O)N(C)C C03134 [1,0,0,0,0,0|1,0,0]=2 15 B4R0.1 C=C(C)CCl C19363 [1,0,0,0,0,0|1,0,2]=4 16 B4R0.1 C=CC(=C)C C16521 [1,0,0,0,0,0|0,0,3]=4 17 B4R0.1 C=CC(C)=O C20701 [1,0,0,0,0,0|1,0,2]=4 18 B4R0.1 CC(=O)C=O C00546 [1,0,0,0,0,0|1,0,1]=3 19 B4R0.1 CC(=O)CN C01888 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 CC(=O)CO C05235 [1,0,0,0,0,0|1,0,2]=4 21 B4R0.1 CC(C)=CCl C19206 [1,0,0,0,0,0|1,0,1]=3 22 B4R0.1 CC(C)=NO C01995 [1,0,0,0,0,0|1,0,2]=4 23 B4R0.1 CC(C)C#N C02420 [1,0,0,0,0,0|1,0,1]=3 24 B4R0.1 CC(C)CN C02787 [1,0,0,0,0,0|1,0,0]=2 25 B4R0.1 CC(C)CO C14710 [1,0,0,0,0,0|0,0,1]=2 26 B4R0.1 CC(Cl)CCl C19034 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.1 CC(N)C#N C05714 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 CC(O)CN C05771 [1,0,0,0,0,0|2,0,0]=3 29 B4R0.1 CC(O)CO C00583 [1,0,0,0,0,0|1,0,1]=3 30 B4R0.1 CCC(C)=O C02845 [1,0,0,0,0,0|1,0,2]=4 31 B4R0.1 CCC(C)N C18706 [1,0,0,0,0,0|1,0,1]=3 32 B4R0.1 CN(C)N=O C14704 [1,0,0,0,0,0|2,0,0]=3 33 B4R0.1 C[C@@H](O)C=O C00937 [1,0,0,0,0,0|1,0,0]=2 34 B4R0.1 C[C@@H](O)CN C03194 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.1 C[C@@H](O)CO C02912 [1,0,0,0,0,0|1,0,1]=3 36 B4R0.1 C[C@H](O)C=O C00424 [1,0,0,0,0,0|1,0,0]=2 37 B4R0.1 C[C@H](O)CO C02917 [1,0,0,0,0,0|1,0,1]=3 38 B4R0.1 ClCC(Cl)Cl C19536 [1,0,0,0,0,0|3,0,0]=4 39 B4R0.1 O=CC(=O)O C00048 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.1 O=CC(Cl)Cl C14858 [1,0,0,0,0,0|2,0,0]=3 41 B4R0.1 OC(Cl)CCl C20305 [1,0,0,0,0,0|3,0,0]=4 42 B4R0.1 [*]C(=O)C=O C00538 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.1 [*]C(=O)C=O C01928 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.1 [*]C(O)C=O C01370 [1,0,0,0,0,0|2,0,0]=3 45 B4R0.1 [*]C(O)C=O C06461 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.1 [*]C(O)CO C00717 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.1 [*]CC([*])C C19505 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.1 [*]CC([*])O C00980 [1,0,0,0,0,0|3,0,0]=4 49 B4R0.1 [*][C@@H](O)CO C01506 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.2 C#CCC=O C06145 [1,0,0,0,0,0|0,0,2]=3 51 B4R0.2 C#CCCO C06146 [1,0,0,0,0,0|2,0,1]=4 52 B4R0.2 C=CCCN C12244 [1,0,0,0,0,0|2,0,0]=3 53 B4R0.2 CCC=S=O C08389 [1,0,0,0,0,0|1,0,1]=3 54 B4R0.2 CCCC=O C01412 [1,0,0,0,0,0|0,0,0]=1 55 B4R0.2 CCCCO C06142 [1,0,0,0,0,0|0,0,2]=3 56 B4R0.2 CCOCC C13240 [1,0,0,0,0,0|2,0,1]=4 57 B4R0.2 CCSCC C02272 [1,0,0,0,0,0|2,0,1]=4 58 B4R0.2 C\C=C\C=O C19377 [1,0,0,0,0,0|0,0,2]=3 59 B4R0.2 Cl\C=C/CCl C06610 [1,0,0,0,0,0|2,0,1]=4 60 B4R0.2 Cl\C=C\CCl C06609 [1,0,0,0,0,0|2,0,1]=4 61 B4R0.2 Cl\C=C\CCl C18627 [1,0,0,0,0,0|2,0,1]=4 62 B4R0.2 N#CCCN C05670 [1,0,0,0,0,0|2,0,1]=4 63 B4R0.2 NCCC=O C05665 [1,0,0,0,0,0|1,0,0]=2 64 B4R0.2 NCCCN C00986 [1,0,0,0,0,0|2,0,1]=4 65 B4R0.2 O=CCC=O C19440 [1,0,0,0,0,0|1,0,1]=3 66 B4R0.2 O=CCCO C00969 [1,0,0,0,0,0|1,0,0]=2 67 B4R0.2 O=C\C=C/Cl C16348 [1,0,0,0,0,0|1,0,2]=4 68 B4R0.2 O=C\C=C\Cl C06613 [1,0,0,0,0,0|1,0,2]=4 69 B4R0.2 OCCCO C02457 [1,0,0,0,0,0|1,0,2]=4 70 B4R0.2 OC\C=C/Cl C06612 [1,0,0,0,0,0|2,0,1]=4 71 B4R0.2 OC\C=C\Cl C06611 [1,0,0,0,0,0|2,0,1]=4 72 B4R0.2 [*]CCC=O C00609 [1,0,0,0,0,0|1,0,0]=2 73 B6R0.1 CC[C@H](C)\C=N/O C20312 [0,1,0,0,0,0|1,0,2]=4 74 B6R0.1 CC[C@H](C)\C=N\O C19491 [0,1,0,0,0,0|1,0,2]=4 75 B6R0.1 [*]OC[C@@H](O)CO C02773 [0,1,0,0,0,0|3,0,0]=4 76 B6R0.2 CC(=O)CC(=O)O C00164 [0,1,0,0,0,0|1,0,1]=3 77 B6R0.2 CC(=O)CC(=O)[O-] C17688 [0,1,0,0,0,0|1,0,1]=3 78 B6R0.2 CC(=O)CC(C)=O C15499 [0,1,0,0,0,0|1,0,1]=3 79 B6R0.2 CC(=O)CC(C)C C19263 [0,1,0,0,0,0|0,0,0]=1 80 B6R0.2 CC(=O)CC(N)=O C11106 [0,1,0,0,0,0|1,0,1]=3 81 B6R0.2 CC(C)CC(=O)O C08262 [0,1,0,0,0,0|0,0,0]=1 82 B6R0.2 CC(C)OC(=S)S C19127 [0,1,0,0,0,0|1,1,0]=3 83 B6R0.2 CC(O)CC(N)=O C11109 [0,1,0,0,0,0|1,0,0]=2 84 B6R0.2 CN(C)CC(=O)O C01026 [0,1,0,0,0,0|1,0,0]=2 85 B6R0.2 C[C@@H](O)CC(=O)O C01089 [0,1,0,0,0,0|1,0,0]=2 86 B6R0.2 C[C@H](O)CC(=O)O C03197 [0,1,0,0,0,0|1,0,0]=2 87 B6R0.2 C[S+](C)CC(=O)O C03392 [0,1,0,0,0,0|1,0,0]=2 88 B6R0.2 NC(=O)CC(=O)O C04131 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.2 O=C(O)CC(=O)O C00383 [0,1,0,0,0,0|2,0,1]=4 90 B6R0.2 O=C(O)CC(=O)O C02028 [0,1,0,0,0,0|2,0,1]=4 91 B6R0.2 O=C(O)CC(=O)O C04025 [0,1,0,0,0,0|2,0,1]=4 92 B6R0.2 [*]C(=O)CC(=O)O C01656 [0,1,0,0,0,0|2,0,1]=4 93 B6R0.2 [*]C(O)CC(=O)O C03834 [0,1,0,0,0,0|2,0,0]=3 94 B6R0.3 CC(C=O)C(=O)O C00349 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.3 C[C@@H](C=O)C(=O)O C06002 [0,1,0,0,0,0|2,0,1]=4 96 B6R0.3 C[C@H](C=O)C(=O)O C21030 [0,1,0,0,0,0|2,0,1]=4 97 B6R0.3 N[C@@H](C=O)C(=O)O C11822 [0,1,0,0,0,0|2,0,1]=4 98 B6R0.3 O=CC(O)C(=O)O C01146 [0,1,0,0,0,0|2,0,1]=4 99 B6R0.4 C(=N/OC)C(C)C C03982 [0,1,0,0,0,0|1,0,2]=4 100 B6R0.4 CC(C)CCC=O C02373 [0,1,0,0,0,0|0,0,0]=1 101 B6R0.4 CC(C)C\C=N\O C17255 [0,1,0,0,0,0|0,0,1]=2 102 B6R0.4 O=CCCC(=O)O C00232 [0,1,0,0,0,0|2,0,1]=4 103 B6R0.5 C[N+](C)(C)CC=O C00576 [0,1,0,0,0,0|1,0,0]=2 104 B6R0.5 C[N+](C)(C)CCCl C18585 [0,1,0,0,0,0|2,0,1]=4 105 B6R0.5 C[N+](C)(C)CCO C00114 [0,1,0,0,0,0|1,0,2]=4 106 B6R0.5 O=CCP(=O)(O)O C03167 [0,1,0,0,0,0|3,0,0]=4 107 B6R0.5 O=CCS(=O)(=O)O C00593 [0,1,0,0,0,0|3,0,0]=4 108 B6R1.2 C[C@@H]1CCCN1 C20809 [0,0,0,1,0,0|2,0,1]=4 109 B6R1.2 OC1CCCC1 C02020 [0,0,0,1,0,0|2,0,1]=4 110 B6R1.3 OCCN1CC1 C19332 [0,0,0,1,0,0|1,0,2]=4 111 B6R1.5 CC1CC(=O)O1 C19201 [0,0,0,1,0,0|1,0,0]=2 112 B3R0.1 BrCCBr C11088 [2,0,0,0,0,0|2,0,0]=4 113 B3R0.1 C#CC=O C05985 [2,0,0,0,0,0|0,0,2]=4 114 B3R0.1 C(=O)NC C11489 [2,0,0,0,0,0|1,0,0]=3 115 B3R0.1 C=CC=O C01471 [2,0,0,0,0,0|0,0,2]=4 116 B3R0.1 C=CCCl C19316 [2,0,0,0,0,0|1,0,1]=4 117 B3R0.1 C=CCO C02001 [2,0,0,0,0,0|1,0,1]=4 118 B3R0.1 CCC=O C00479 [2,0,0,0,0,0|0,0,0]=2 119 B3R0.1 CCCC C21390 [2,0,0,0,0,0|0,0,1]=3 120 B3R0.1 CCCO C05979 [2,0,0,0,0,0|0,0,1]=3 121 B3R0.1 CCCS C08390 [2,0,0,0,0,0|0,1,0]=3 122 B3R0.1 CNN=O C19568 [2,0,0,0,0,0|2,0,0]=4 123 B3R0.1 COCCl C19160 [2,0,0,0,0,0|2,0,0]=4 124 B3R0.1 ClCCCl C06752 [2,0,0,0,0,0|2,0,0]=4 125 B3R0.1 NCC=O C06735 [2,0,0,0,0,0|1,0,0]=3 126 B3R0.1 NCCN C18382 [2,0,0,0,0,0|2,0,0]=4 127 B3R0.1 NCCO C00189 [2,0,0,0,0,0|1,0,1]=4 128 B3R0.1 NCCS C01678 [2,0,0,0,0,0|1,1,0]=4 129 B3R0.1 O=CC=O C14448 [2,0,0,0,0,0|1,0,1]=4 130 B3R0.1 O=CCBr C14870 [2,0,0,0,0,0|1,0,0]=3 131 B3R0.1 O=CCCl C06754 [2,0,0,0,0,0|1,0,0]=3 132 B3R0.1 O=CCF C15488 [2,0,0,0,0,0|1,0,0]=3 133 B3R0.1 O=CCO C00266 [2,0,0,0,0,0|1,0,0]=3 134 B3R0.1 OCCCl C06753 [2,0,0,0,0,0|1,0,1]=4 135 B3R0.1 OCCO C01380 [2,0,0,0,0,0|1,0,1]=4 136 B3R0.1 OCCO C15588 [2,0,0,0,0,0|1,0,1]=4 137 B3R0.1 OCCS C00928 [2,0,0,0,0,0|1,0,1]=4 138 B3R0.1 [*]CCN C15534 [2,0,0,0,0,0|2,0,0]=4 139 B3R0.1 [*]NC=O C06049 [2,0,0,0,0,0|2,0,0]=4 140 B3R0.2 CC(=O)O C00033 [2,0,0,0,0,0|1,0,1]=4 141 B3R0.2 CC(=O)S C01857 [2,0,0,0,0,0|1,0,1]=4 142 B3R0.2 CC(=O)[O-] C12554 [2,0,0,0,0,0|1,0,1]=4 143 B3R0.2 CC(C)=O C00207 [2,0,0,0,0,0|0,0,1]=3 144 B3R0.2 CC(C)N C06748 [2,0,0,0,0,0|1,0,0]=3 145 B3R0.2 CC(C)O C01845 [2,0,0,0,0,0|0,0,1]=3 146 B3R0.2 CC(C)S C08391 [2,0,0,0,0,0|0,1,0]=3 147 B3R0.2 CC(Cl)Cl C18247 [2,0,0,0,0,0|2,0,0]=4 148 B3R0.2 CC(N)=O C06244 [2,0,0,0,0,0|1,0,1]=4 149 B3R0.2 CN(C)C C00565 [2,0,0,0,0,0|1,0,0]=3 150 B3R0.2 CN(C)N C19233 [2,0,0,0,0,0|2,0,0]=4 151 B3R0.2 CS(=O)O C21398 [2,0,0,0,0,0|2,0,0]=4 152 B3R0.2 CS(C)=O C11143 [2,0,0,0,0,0|1,0,0]=3 153 B3R0.2 C[As](C)O C20300 [2,0,0,0,0,0|1,0,1]=4 154 B3R0.2 C[N+](=O)[O-] C19275 [2,0,0,0,0,0|2,0,0]=4 155 B3R0.2 C[S+](C)C C01008 [2,0,0,0,0,0|1,0,0]=3 156 B3R0.2 C[Se+](C)C C18872 [2,0,0,0,0,0|1,0,0]=3 157 B3R0.2 C[Se](=O)O C18902 [2,0,0,0,0,0|2,0,0]=4 158 B5R0.3 CCC(C)C#N C21525 [1,1,0,0,0,0|0,0,2]=4 159 B5R0.3 CCC(C)C=O C02223 [1,1,0,0,0,0|0,0,0]=2 160 B5R0.3 CCN(C)N=O C19281 [1,1,0,0,0,0|2,0,0]=4 161 B5R0.3 CN(C=O)CO C11488 [1,1,0,0,0,0|1,0,0]=3 162 B5R0.3 CN(CO)N=O C20301 [1,1,0,0,0,0|2,0,0]=4 163 B5R0.3 ClCC(Br)CBr C14336 [1,1,0,0,0,0|2,0,0]=4 164 B5R0.3 ClCC(Cl)CCl C14400 [1,1,0,0,0,0|2,0,0]=4 165 B5R0.3 NC[C@H](O)CO C06057 [1,1,0,0,0,0|1,0,1]=4 166 B5R0.3 O=CC(O)CO C02154 [1,1,0,0,0,0|1,0,0]=3 167 B5R0.3 O=C[C@@H](O)CO C02426 [1,1,0,0,0,0|1,0,0]=3 168 B5R0.3 O=C[C@H](O)CO C00577 [1,1,0,0,0,0|1,0,0]=3 169 B5R0.3 OC(CCl)CCl C14399 [1,1,0,0,0,0|2,0,0]=4 170 B5R0.3 OCC(Br)CBr C19224 [1,1,0,0,0,0|1,0,1]=4 171 B5R0.3 OCC(O)CCl C18676 [1,1,0,0,0,0|1,0,1]=4 172 B5R0.3 OCC(O)CO C00116 [1,1,0,0,0,0|1,0,1]=4 173 B5R0.3 OCC(S)CS C02924 [1,1,0,0,0,0|1,0,1]=4 174 B5R0.4 C=CC(C)(C)O C21402 [1,1,0,0,0,0|0,0,1]=3 175 B5R0.4 CC(C)(O)C#N C02659 [1,1,0,0,0,0|1,0,1]=4 176 B5R0.4 CC(C)(O)C=O C21291 [1,1,0,0,0,0|0,0,0]=2 177 B5R0.4 CC(C)(O)CO C21290 [1,1,0,0,0,0|0,0,1]=3 178 B5R0.4 CCC(C)(C)O C21401 [1,1,0,0,0,0|0,0,1]=3 179 B5R0.4 COC(C)(C)C C11344 [1,1,0,0,0,0|1,0,1]=4 180 B5R0.4 O=CC(Cl)(Cl)Cl C14866 [1,1,0,0,0,0|2,0,0]=4 181 B5R0.5 CC(=N)C(=O)O C20904 [1,1,0,0,0,0|1,0,1]=4 182 B5R0.5 CC(=O)C(=O)O C00022 [1,1,0,0,0,0|1,0,1]=4 183 B5R0.5 CC(=O)C(C)=O C00741 [1,1,0,0,0,0|1,0,1]=4 184 B5R0.5 CC(=O)C(C)O C00466 [1,1,0,0,0,0|1,0,0]=3 185 B5R0.5 CC(=O)N(C)C C20339 [1,1,0,0,0,0|1,0,0]=3 186 B5R0.5 CC(=O)[C@@H](C)O C00810 [1,1,0,0,0,0|1,0,0]=3 187 B5R0.5 CC(=O)[C@H](C)O C01769 [1,1,0,0,0,0|1,0,0]=3 188 B5R0.5 CC(C)C(=O)O C02632 [1,1,0,0,0,0|0,0,0]=2 189 B5R0.5 CC(C)[N+](=O)[O-] C02116 [1,1,0,0,0,0|1,0,0]=3 190 B5R0.5 CC(N)C(=O)O C01401 [1,1,0,0,0,0|1,0,0]=3 191 B5R0.5 CC(O)C(=O)O C01432 [1,1,0,0,0,0|1,0,0]=3 192 B5R0.5 CN(C)C(=O)Cl C19175 [1,1,0,0,0,0|1,0,0]=3 193 B5R0.5 CN(C)C(=S)[S-] C11223 [1,1,0,0,0,0|1,1,0]=4 194 B5R0.5 CN(C)C(=S)[S-] C15229 [1,1,0,0,0,0|1,1,0]=4 195 B5R0.5 C[C@@H](N)C(=O)O C00133 [1,1,0,0,0,0|1,0,0]=3 196 B5R0.5 C[C@@H](O)C(=O)O C00256 [1,1,0,0,0,0|1,0,0]=3 197 B5R0.5 C[C@@H](O)[C@@H](C)O C03044 [1,1,0,0,0,0|1,0,1]=4 198 B5R0.5 C[C@H](Cl)C(=O)O C20608 [1,1,0,0,0,0|1,0,0]=3 199 B5R0.5 C[C@H](N)C(=O)O C00041 [1,1,0,0,0,0|1,0,0]=3 200 B5R0.5 C[C@H](O)C(=O)O C00186 [1,1,0,0,0,0|1,0,0]=3 201 B5R0.5 C[C@H](O)[C@@H](C)O C20657 [1,1,0,0,0,0|1,0,1]=4 202 B5R0.5 C[C@H](O)[C@H](C)O C03046 [1,1,0,0,0,0|1,0,1]=4 203 B5R0.5 O=C(Cl)C(Cl)Cl C14867 [1,1,0,0,0,0|2,0,0]=4 204 B5R0.5 O=C(O)C(Br)Br C20123 [1,1,0,0,0,0|2,0,0]=4 205 B5R0.5 O=C(O)C(Cl)Br C19212 [1,1,0,0,0,0|2,0,0]=4 206 B5R0.5 O=C(O)C(Cl)Cl C11149 [1,1,0,0,0,0|2,0,0]=4 207 B5R0.5 [*]C(=O)C([*])O C01398 [1,1,0,0,0,0|2,0,0]=4 208 B5R0.5 [*]C(=O)[C@H]([*])N C01076 [1,1,0,0,0,0|2,0,0]=4 209 B5R0.5 [*]C(C)C(=O)O C06389 [1,1,0,0,0,0|1,0,0]=3 210 B5R0.5 [*]C(N)C(=O)O C00045 [1,1,0,0,0,0|2,0,0]=4 211 B5R0.5 [*]C(N)C(=O)O C05167 [1,1,0,0,0,0|2,0,0]=4 212 B5R0.5 [*]C(O)C(=O)O C02929 [1,1,0,0,0,0|2,0,0]=4 213 B5R0.5 [*]C([*])C(=O)O C02103 [1,1,0,0,0,0|2,0,0]=4 214 B5R0.5 [*]C([*])C(=O)O C15564 [1,1,0,0,0,0|2,0,0]=4 215 B5R0.5 [*][C@@H](N)C(=O)O C00405 [1,1,0,0,0,0|2,0,0]=4 216 B5R0.5 [*][C@@H](O)C(=O)O C02489 [1,1,0,0,0,0|2,0,0]=4 217 B5R0.5 [*][C@H](N)C(=O)O C00151 [1,1,0,0,0,0|2,0,0]=4 218 B5R0.5 [*][C@H](O)C(=O)O C15565 [1,1,0,0,0,0|2,0,0]=4 219 B5R0.2 C=CCSSC C08383 [1,1,0,0,0,0|2,0,0]=4 220 B5R0.2 CCCCCC C11271 [1,1,0,0,0,0|1,0,1]=4 221 B5R0.2 CCCCCO C16834 [1,1,0,0,0,0|0,0,2]=4 222 B5R0.2 CCOCCO C14687 [1,1,0,0,0,0|0,0,2]=4 223 B5R0.2 CSCCCN C03354 [1,1,0,0,0,0|1,0,1]=4 224 B5R0.2 NCCCC=O C00555 [1,1,0,0,0,0|0,0,0]=2 225 B5R0.2 NCCCC=O C02903 [1,1,0,0,0,0|0,0,0]=2 226 B5R0.2 NCCCCN C00134 [1,1,0,0,0,0|1,0,1]=4 227 B5R0.2 NCCCCN C02896 [1,1,0,0,0,0|1,0,1]=4 228 B5R0.2 O=CC#CCO C02648 [1,1,0,0,0,0|0,0,2]=4 229 B5R0.2 O=CCCC=O C16835 [1,1,0,0,0,0|0,0,1]=3 230 B7R0.2 CCC(=O)CC(=O)O C02233 [0,2,0,0,0,0|1,0,1]=4 231 B7R0.2 CN(CC(=O)O)N=O C19286 [0,2,0,0,0,0|2,0,0]=4 232 B7R0.2 NCC(O)CC(=O)O C03678 [0,2,0,0,0,0|1,0,0]=3 233 B7R0.2 [*]CC([*])OC(C)=O C12282 [0,2,0,0,0,0|2,0,0]=4 234 B7R0.2 [*]OC(C)CC([*])=O C06143 [0,2,0,0,0,0|1,0,0]=3 235 B7R0.2 [*]O[C@H](C)CC([*])=O C11551 [0,2,0,0,0,0|1,0,0]=3 236 B7R0.2 [*]O[C@H](C)CC([*])=O C11552 [0,2,0,0,0,0|1,0,0]=3 237 B7R0.2 [*]SC(=O)CC(C)=O C05744 [0,2,0,0,0,0|1,0,1]=4 238 B7R0.2 [*]SC(=O)C[C@@H](C)O C04618 [0,2,0,0,0,0|1,0,0]=3 239 B7R0.2 [*]SC(=O)C[C@@H]([*])O C01271 [0,2,0,0,0,0|2,0,0]=4 240 B7R0.3 CN(CCC=O)N=O C19484 [0,2,0,0,0,0|2,0,0]=4 241 B7R0.5 N[C@@H](CC=O)C(=O)O C00441 [0,2,0,0,0,0|1,0,1]=4 242 B7R0.9 CC(C)(O)CC(=O)O C20827 [0,2,0,0,0,0|0,0,0]=2 243 B7R0.9 CC(C)OP(C)(=O)F C11764 [0,2,0,0,0,0|2,0,0]=4 244 B7R0.9 C[As+](C)(C)CC(=O)[O-] C19331 [0,2,0,0,0,0|1,0,0]=3 245 B7R0.9 C[C@H](O)CP(=O)(O)O C06452 [0,2,0,0,0,0|2,0,0]=4 246 B7R0.9 C[N+](C)(C)CC(=O)[O-] C00719 [0,2,0,0,0,0|1,0,0]=3 247 B7R0.16 CC(=O)C(N)C(=O)O C03214 [0,2,0,0,0,0|1,0,1]=4 248 B7R0.16 CC(=O)[C@H](N)C(=O)O C03508 [0,2,0,0,0,0|1,0,1]=4 249 B7R0.16 CC(C)C(=O)C(=O)O C00141 [0,2,0,0,0,0|0,0,1]=3 250 B7R0.16 CC(C)C(N)C(=O)O C16436 [0,2,0,0,0,0|0,0,0]=2 251 B7R0.16 CC(C)[C@@H](N)C(=O)O C06417 [0,2,0,0,0,0|0,0,0]=2 252 B7R0.16 CC(C)[C@H](N)C(=O)O C00183 [0,2,0,0,0,0|0,0,0]=2 253 B7R0.16 CC(O)C(O)C(N)=O C11108 [0,2,0,0,0,0|1,0,0]=3 254 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O C12317 [0,2,0,0,0,0|1,0,0]=3 255 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O C00188 [0,2,0,0,0,0|1,0,0]=3 256 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O C00820 [0,2,0,0,0,0|1,0,0]=3 257 B7R0.16 C[C@H](O)[C@H](N)C(=O)O C05519 [0,2,0,0,0,0|1,0,0]=3 258 B7R0.16 [*]C([*])[C@H](N)C(=O)O C04313 [0,2,0,0,0,0|2,0,0]=4 259 B7R0.16 [*][C@H](O)[C@@H]([*])C(=O)O C21645 [0,2,0,0,0,0|2,0,0]=4 260 B7R0.4 CC(=O)NCCC=O C18170 [0,2,0,0,0,0|1,0,1]=4 261 B7R0.4 CC(C)CCOC=O C12293 [0,2,0,0,0,0|0,0,0]=2 262 B7R0.4 CC(C)CCON=O C07457 [0,2,0,0,0,0|0,0,1]=3 263 B7R0.6 CC(C)CCC(=O)O C21399 [0,2,0,0,0,0|0,0,0]=2 264 B7R0.6 C[S+](C)CCC(=O)[O-] C04022 [0,2,0,0,0,0|1,0,0]=3 265 B5R1.3 CCC1CO1 C19237 [1,0,0,1,0,0|1,0,1]=4 266 B5R1.3 ClCC1CO1 C14449 [1,0,0,1,0,0|2,0,0]=4 267 B5R1.3 O=CC1CO1 C19246 [1,0,0,1,0,0|1,0,0]=3 268 B5R1.3 OCC1CO1 C10920 [1,0,0,1,0,0|1,0,1]=4 269 B5R1.1 C1=NCCC1 C15668 [1,0,0,1,0,0|1,0,0]=3 270 B7R1.15 [*][C@@H]1OC(=O)[C@@H]1[*] C21657 [0,1,0,1,0,0|2,0,0]=4