0 B6R0.1 C=CC(=O)NCO C19456 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 C=CC(=O)OCC C19238 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.1 COCC(=O)OC C14601 [0,0,0,0,0,0|1,0,0]=1 3 B6R0.1 N\C=C/C(=O)OO C20249 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.1 [*]CCC(=O)S[*] C00173 [0,0,0,0,0,0|2,1,0]=3 5 B6R0.1 [*]CCC(=O)S[*] C20683 [0,0,0,0,0,0|2,1,0]=3 6 B6R0.1 [*]OCC(=O)CO C02446 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.1 [*]SC(=O)CCC C05745 [0,0,0,0,0,0|1,1,0]=2 8 B6R0.1 [*]SC(=O)\C=C\C C04246 [0,0,0,0,0,0|1,1,2]=4 9 B5R0.1 C#CCC(=O)O C06144 [1,0,0,0,0,0|0,0,2]=3 10 B5R0.1 C=COC(C)=O C19309 [1,0,0,0,0,0|1,0,2]=4 11 B5R0.1 C=COC(C)=O C19546 [1,0,0,0,0,0|1,0,2]=4 12 B5R0.1 CC(=O)NCN C02297 [1,0,0,0,0,0|2,0,0]=3 13 B5R0.1 CC(C)=CCO C01390 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 CC(C)CCN C02640 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.1 CC(C)CCO C07328 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 CC(O)CCO C20335 [1,0,0,0,0,0|1,0,2]=4 17 B5R0.1 CCCC(=O)O C00246 [1,0,0,0,0,0|0,0,0]=1 18 B5R0.1 CCCC(C)=O C01949 [1,0,0,0,0,0|0,0,0]=1 19 B5R0.1 CCNC(C)=O C21404 [1,0,0,0,0,0|1,0,0]=2 20 B5R0.1 CCOC(C)=O C00849 [1,0,0,0,0,0|1,0,0]=2 21 B5R0.1 CCOC(N)=O C01537 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.1 CNCC(=O)O C00213 [1,0,0,0,0,0|1,0,0]=2 23 B5R0.1 CSCC(=O)O C03173 [1,0,0,0,0,0|1,0,0]=2 24 B5R0.1 C\C=C\C(=O)O C01771 [1,0,0,0,0,0|0,0,2]=3 25 B5R0.1 NC(=O)NCO C06384 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.1 NCCC(=O)O C00099 [1,0,0,0,0,0|1,0,0]=2 27 B5R0.1 NCCC(N)=O C19779 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.1 NCCS(=O)O C00519 [1,0,0,0,0,0|2,0,0]=3 29 B5R0.1 NCNC(N)=O C06383 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.1 N\C=C/C(=O)O C20253 [1,0,0,0,0,0|1,0,2]=4 31 B5R0.1 O=C(O)CCO C01013 [1,0,0,0,0,0|1,0,0]=2 32 B5R0.1 O=C(O)\C=C/Cl C06615 [1,0,0,0,0,0|1,0,2]=4 33 B5R0.1 O=C(O)\C=C\Cl C06614 [1,0,0,0,0,0|1,0,2]=4 34 B5R0.1 O=C(O)\C=C\O C12069 [1,0,0,0,0,0|1,0,2]=4 35 B5R0.1 O=CCC(=O)O C00222 [1,0,0,0,0,0|1,0,1]=3 36 B5R0.1 P(=O)(O)OCC C18401 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.1 [*]C(=O)OCC C04202 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.1 [*]CCC(=O)O C00347 [1,0,0,0,0,0|1,0,0]=2 39 B5R0.1 [*]CCC(=O)O C00638 [1,0,0,0,0,0|1,0,0]=2 40 B5R0.1 [*]COC([*])=O C02434 [1,0,0,0,0,0|3,0,0]=4 41 B5R0.1 [*]\C=C\C(=O)O C11823 [1,0,0,0,0,0|1,0,2]=4 42 B5R0.2 CCCCCC C11271 [1,0,0,0,0,0|1,0,1]=3 43 B5R0.2 CCCCCO C16834 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.2 CCNNCC C19227 [1,0,0,0,0,0|3,0,0]=4 45 B5R0.2 CCOCCO C14687 [1,0,0,0,0,0|3,0,0]=4 46 B5R0.2 CSCCCN C03354 [1,0,0,0,0,0|1,1,1]=4 47 B5R0.3 C=CC(=O)OC C19443 [1,0,0,0,0,0|0,0,2]=3 48 B5R0.3 CNC(=O)NC C16364 [1,0,0,0,0,0|2,0,0]=3 49 B5R0.3 O=C(CO)CO C00184 [1,0,0,0,0,0|3,0,0]=4 50 B5R0.3 P(=O)(OC)OC C19406 [1,0,0,0,0,0|2,0,0]=3 51 B7R0.2 CCC(=O)CC(=O)O C02233 [0,1,0,0,0,0|2,0,1]=4 52 B7R0.2 COC(=O)NC(N)=O C10899 [0,1,0,0,0,0|2,0,1]=4 53 B7R0.2 [*]SC(=O)CC(C)=O C05744 [0,1,0,0,0,0|1,1,1]=4 54 B7R0.2 [*]SC(=O)C[C@@H](C)O C04618 [0,1,0,0,0,0|1,1,0]=3 55 B7R0.2 [*]SC(=O)C[C@@H]([*])O C01271 [0,1,0,0,0,0|2,1,0]=4 56 B7R0.3 [*]SC(=O)CCCN C18007 [0,1,0,0,0,0|1,1,0]=3 57 B7R0.5 CCCC(=O)C(=O)O C06255 [0,1,0,0,0,0|2,0,0]=3 58 B7R0.5 C[Se]CC(=O)C(=O)O C18904 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.7 CCNC(=S)NCC C19400 [0,1,0,0,0,0|2,1,0]=4 60 B7R0.10 CCC(=O)C(O)CC C02948 [0,1,0,0,0,0|1,0,0]=2 61 B7R0.10 COC(=O)C(=O)OC C10900 [0,1,0,0,0,0|1,0,1]=3 62 B7R0.10 CSC(=O)[C@H](O)CO C03804 [0,1,0,0,0,0|1,1,0]=3 63 B7R0.10 O=C(CO)[C@@H](O)CO C02045 [0,1,0,0,0,0|3,0,0]=4 64 B7R0.10 O=C(CO)[C@H](O)CO C02022 [0,1,0,0,0,0|3,0,0]=4 65 B7R0.10 [*]CC(C)C(=O)S[*] C21392 [0,1,0,0,0,0|2,1,0]=4 66 B7R0.10 [*]SC(=O)[C@@H](C)CC C21129 [0,1,0,0,0,0|1,1,0]=3 67 B7R1.3 NC1CCCCC1 C00571 [0,0,0,1,0,0|2,0,1]=4 68 B7R1.3 O=C1C=CCCC1 C02395 [0,0,0,1,0,0|1,0,1]=3 69 B7R1.3 O=C1CCCCC1 C00414 [0,0,0,1,0,0|1,0,0]=2 70 B7R1.3 O=C1CCCCO1 C02240 [0,0,0,1,0,0|0,0,0]=1 71 B7R1.3 OC1CCCCC1 C00854 [0,0,0,1,0,0|1,0,2]=4 72 B7R1.4 C=C1CCOC1=O C20578 [0,0,0,1,0,0|2,0,1]=4 73 B7R1.4 CN1CCCC1=O C11118 [0,0,0,1,0,0|1,0,0]=2 74 B7R1.4 NC1CCOC1=O C02926 [0,0,0,1,0,0|3,0,0]=4 75 B7R1.4 N[C@H]1CCOC1=O C19777 [0,0,0,1,0,0|3,0,0]=4 76 B4R0.1 C#CC(=O)O C00804 [2,0,0,0,0,0|0,0,2]=4 77 B4R0.1 C=C(C)CCl C19363 [2,0,0,0,0,0|2,0,0]=4 78 B4R0.1 C=CC(=O)O C00511 [2,0,0,0,0,0|0,0,2]=4 79 B4R0.1 C=CC(=O)O C19501 [2,0,0,0,0,0|0,0,2]=4 80 B4R0.1 C=CC(C)=O C20701 [2,0,0,0,0,0|0,0,2]=4 81 B4R0.1 CC(=O)C=O C00546 [2,0,0,0,0,0|1,0,1]=4 82 B4R0.1 CC(=O)CN C01888 [2,0,0,0,0,0|1,0,0]=3 83 B4R0.1 CC(=O)CO C05235 [2,0,0,0,0,0|1,0,0]=3 84 B4R0.1 CC(=O)NN C07447 [2,0,0,0,0,0|2,0,0]=4 85 B4R0.1 CC(=O)NO C06808 [2,0,0,0,0,0|2,0,0]=4 86 B4R0.1 CCC(=O)O C00163 [2,0,0,0,0,0|0,0,0]=2 87 B4R0.1 CCC(C)=O C02845 [2,0,0,0,0,0|0,0,0]=2 88 B4R0.1 CCC(C)N C18706 [2,0,0,0,0,0|1,0,1]=4 89 B4R0.1 CC[N+](=O)[O-] C01837 [2,0,0,0,0,0|1,0,1]=4 90 B4R0.1 CNC(N)=O C16363 [2,0,0,0,0,0|2,0,0]=4 91 B4R0.1 COC(C)=O C17530 [2,0,0,0,0,0|0,0,0]=2 92 B4R0.1 COC(N)=O C19445 [2,0,0,0,0,0|1,0,0]=3 93 B4R0.1 N=CC(=O)O C15809 [2,0,0,0,0,0|1,0,1]=4 94 B4R0.1 NC(=O)CF C18675 [2,0,0,0,0,0|2,0,0]=4 95 B4R0.1 NCC(=O)O C00037 [2,0,0,0,0,0|1,0,0]=3 96 B4R0.1 O=C(Cl)CCl C14859 [2,0,0,0,0,0|2,0,0]=4 97 B4R0.1 O=C(O)CCl C06755 [2,0,0,0,0,0|1,0,0]=3 98 B4R0.1 O=C(O)CF C06108 [2,0,0,0,0,0|1,0,0]=3 99 B4R0.1 O=C(O)CO C00160 [2,0,0,0,0,0|1,0,0]=3 100 B4R0.1 O=C(O)CO C03547 [2,0,0,0,0,0|1,0,0]=3 101 B4R0.1 O=C(O)CS C02086 [2,0,0,0,0,0|1,0,0]=3 102 B4R0.1 O=C([O-])CF C18588 [2,0,0,0,0,0|1,0,1]=4 103 B4R0.1 O=CC(=O)O C00048 [2,0,0,0,0,0|1,0,1]=4 104 B4R0.1 [*]C(=O)CO C03667 [2,0,0,0,0,0|2,0,0]=4 105 B4R0.1 [*]C(=O)OC C03395 [2,0,0,0,0,0|1,0,0]=3 106 B4R0.1 [*]CC(=O)O C01812 [2,0,0,0,0,0|1,0,0]=3 107 B4R0.1 [*]NC(C)=O C02998 [2,0,0,0,0,0|2,0,0]=4 108 B4R0.1 [*]OC(C)=O C01883 [2,0,0,0,0,0|1,0,0]=3 109 B4R0.1 [*]OC(C)=O C03707 [2,0,0,0,0,0|1,0,0]=3 110 B4R0.1 [*]OC([*])=O C02391 [2,0,0,0,0,0|2,0,0]=4 111 B4R0.1 [*]SC(C)=O C03939 [2,0,0,0,0,0|1,1,0]=4 112 B4R0.1 [*]SC(C)=O C04334 [2,0,0,0,0,0|1,1,0]=4 113 B4R0.2 C#CCC=O C06145 [2,0,0,0,0,0|0,0,2]=4 114 B4R0.2 C=CCCN C12244 [2,0,0,0,0,0|1,0,1]=4 115 B4R0.2 CCC=S=O C08389 [2,0,0,0,0,0|1,0,1]=4 116 B4R0.2 CCCC=O C01412 [2,0,0,0,0,0|0,0,0]=2 117 B4R0.2 CCCCO C06142 [2,0,0,0,0,0|0,0,1]=3 118 B4R0.2 CCOCC C13240 [2,0,0,0,0,0|1,0,1]=4 119 B4R0.2 CCSCC C02272 [2,0,0,0,0,0|1,0,1]=4 120 B4R0.2 C\C=C\C=O C19377 [2,0,0,0,0,0|0,0,2]=4 121 B4R0.2 NCCC=O C05665 [2,0,0,0,0,0|1,0,0]=3 122 B4R0.2 O=CCC=O C19440 [2,0,0,0,0,0|1,0,1]=4 123 B4R0.2 O=CCCO C00969 [2,0,0,0,0,0|1,0,0]=3 124 B4R0.2 OCCCO C02457 [2,0,0,0,0,0|1,0,1]=4 125 B4R0.2 [*]CCC=O C00609 [2,0,0,0,0,0|1,0,0]=3 126 B6R0.2 CC(=O)CC(=O)O C00164 [1,1,0,0,0,0|0,0,1]=3 127 B6R0.2 CC(=O)CC(=O)[O-] C17688 [1,1,0,0,0,0|0,0,2]=4 128 B6R0.2 CC(=O)CC(C)=O C15499 [1,1,0,0,0,0|0,0,1]=3 129 B6R0.2 CC(=O)CC(C)C C19263 [1,1,0,0,0,0|0,0,0]=2 130 B6R0.2 CC(=O)CC(N)=O C11106 [1,1,0,0,0,0|1,0,1]=4 131 B6R0.2 CC(C)CC(=O)O C08262 [1,1,0,0,0,0|0,0,0]=2 132 B6R0.2 CC(O)CC(N)=O C11109 [1,1,0,0,0,0|1,0,0]=3 133 B6R0.2 CN(C)CC(=O)O C01026 [1,1,0,0,0,0|1,0,0]=3 134 B6R0.2 C[C@@H](O)CC(=O)O C01089 [1,1,0,0,0,0|0,0,0]=2 135 B6R0.2 C[C@H](O)CC(=O)O C03197 [1,1,0,0,0,0|0,0,0]=2 136 B6R0.2 C[S+](C)CC(=O)O C03392 [1,1,0,0,0,0|1,0,0]=3 137 B6R0.2 NC(=O)CC(=O)O C04131 [1,1,0,0,0,0|1,0,1]=4 138 B6R0.2 O=C(O)CC(=O)O C00383 [1,1,0,0,0,0|1,0,1]=4 139 B6R0.2 O=C(O)CC(=O)O C02028 [1,1,0,0,0,0|1,0,1]=4 140 B6R0.2 O=C(O)CC(=O)O C04025 [1,1,0,0,0,0|1,0,1]=4 141 B6R0.2 [*]C(=O)CC(=O)O C01656 [1,1,0,0,0,0|1,0,1]=4 142 B6R0.2 [*]C(O)CC(=O)O C03834 [1,1,0,0,0,0|1,0,0]=3 143 B6R0.3 CC(C=O)C(=O)O C00349 [1,1,0,0,0,0|1,0,1]=4 144 B6R0.3 CC(CN)C(=O)O C05145 [1,1,0,0,0,0|1,0,0]=3 145 B6R0.3 CC(CO)C(=O)O C01188 [1,1,0,0,0,0|1,0,0]=3 146 B6R0.3 CCC(=N)C(=O)O C20905 [1,1,0,0,0,0|0,0,1]=3 147 B6R0.3 CCC(=O)C(=O)O C00109 [1,1,0,0,0,0|0,0,1]=3 148 B6R0.3 CCC(C)C(=O)O C18319 [1,1,0,0,0,0|0,0,0]=2 149 B6R0.3 CC[C@@H](N)C(=O)O C02261 [1,1,0,0,0,0|0,0,0]=2 150 B6R0.3 CC[C@H](N)C(=O)O C02356 [1,1,0,0,0,0|0,0,0]=2 151 B6R0.3 CC[C@H](O)C(=O)O C05984 [1,1,0,0,0,0|0,0,0]=2 152 B6R0.3 CN[C@@H](C)C(=O)O C02721 [1,1,0,0,0,0|1,0,0]=3 153 B6R0.3 C[C@@H](C=O)C(=O)O C06002 [1,1,0,0,0,0|1,0,1]=4 154 B6R0.3 C[C@@H](CN)C(=O)O C03284 [1,1,0,0,0,0|1,0,0]=3 155 B6R0.3 C[C@@H](CO)C(=O)O C06001 [1,1,0,0,0,0|1,0,0]=3 156 B6R0.3 C[C@H](C=O)C(=O)O C21030 [1,1,0,0,0,0|1,0,1]=4 157 B6R0.3 C[C@H](CN)C(=O)O C01205 [1,1,0,0,0,0|1,0,0]=3 158 B6R0.3 C\C=C(/C)C(=O)O C08279 [1,1,0,0,0,0|0,0,2]=4 159 B6R0.3 C\C=C(/N)C(=O)O C17234 [1,1,0,0,0,0|0,0,2]=4 160 B6R0.3 NC(CO)C(=O)O C00716 [1,1,0,0,0,0|1,0,0]=3 161 B6R0.3 NC(CS)C(=O)O C00736 [1,1,0,0,0,0|1,0,0]=3 162 B6R0.3 NCC(F)C(=O)O C16632 [1,1,0,0,0,0|1,0,0]=3 163 B6R0.3 NCC(N)C(=O)O C06393 [1,1,0,0,0,0|1,0,0]=3 164 B6R0.3 NC[C@H](N)C(=O)O C03401 [1,1,0,0,0,0|1,0,0]=3 165 B6R0.3 N[C@@H](C=O)C(=O)O C11822 [1,1,0,0,0,0|1,0,1]=4 166 B6R0.3 N[C@@H](CCl)C(=O)O C02635 [1,1,0,0,0,0|1,0,0]=3 167 B6R0.3 N[C@@H](CO)C(=O)O C00065 [1,1,0,0,0,0|1,0,0]=3 168 B6R0.3 N[C@@H](CS)C(=O)O C00097 [1,1,0,0,0,0|1,0,0]=3 169 B6R0.3 N[C@H](CCl)C(=O)O C02634 [1,1,0,0,0,0|1,0,0]=3 170 B6R0.3 N[C@H](CF)C(=O)O C02638 [1,1,0,0,0,0|1,0,0]=3 171 B6R0.3 N[C@H](CO)C(=O)O C00740 [1,1,0,0,0,0|1,0,0]=3 172 B6R0.3 N[C@H](CS)C(=O)O C00793 [1,1,0,0,0,0|1,0,0]=3 173 B6R0.3 O=C(O)C(=O)CO C00168 [1,1,0,0,0,0|1,0,1]=4 174 B6R0.3 O=C(O)C(=O)CS C00957 [1,1,0,0,0,0|1,0,1]=4 175 B6R0.3 O=C(O)[C@@H](O)CS C05823 [1,1,0,0,0,0|1,0,0]=3 176 B6R0.3 O=C(O)[C@H](O)CO C00258 [1,1,0,0,0,0|1,0,0]=3 177 B6R0.3 O=CC(O)C(=O)O C01146 [1,1,0,0,0,0|1,0,1]=4 178 B6R0.3 [*]C(=O)[C@@H](N)CS C21487 [1,1,0,0,0,0|2,0,0]=4 179 B6R0.3 [*]CC(=O)C(=O)O C00972 [1,1,0,0,0,0|1,0,1]=4 180 B6R0.3 [*]CC(=O)C(=O)O C17265 [1,1,0,0,0,0|1,0,1]=4 181 B6R0.3 [*]CC(N)C(=O)O C17266 [1,1,0,0,0,0|1,0,0]=3 182 B6R0.3 [*]CC(O)C(=O)O C05102 [1,1,0,0,0,0|1,0,0]=3 183 B6R0.3 [*]C[C@H](N)C(=O)O C01021 [1,1,0,0,0,0|1,0,0]=3 184 B6R0.3 [*][C@H](NC)C(=O)O C03148 [1,1,0,0,0,0|1,0,0]=3 185 B6R0.3 [*][C@H](NO)C(=O)O C05710 [1,1,0,0,0,0|2,0,0]=4 186 B6R0.3 [SeH]C[C@H](N)C(=O)O C05688 [1,1,0,0,0,0|1,0,0]=3 187 B6R0.4 CC(=O)SCCN C03537 [1,1,0,0,0,0|1,0,0]=3 188 B6R0.4 CCCCC(=O)O C00803 [1,1,0,0,0,0|0,0,0]=2 189 B6R0.4 CCCCC(N)=O C01842 [1,1,0,0,0,0|1,0,0]=3 190 B6R0.4 CCCOC(N)=O C19514 [1,1,0,0,0,0|1,0,0]=3 191 B6R0.4 CCNCC(=O)O C11735 [1,1,0,0,0,0|0,0,0]=2 192 B6R0.4 CSCCC(=O)O C08276 [1,1,0,0,0,0|0,0,0]=2 193 B6R0.4 N=CNCC(=O)O C02718 [1,1,0,0,0,0|1,0,1]=4 194 B6R0.4 NCCCC(=O)O C00334 [1,1,0,0,0,0|0,0,0]=2 195 B6R0.4 O=C(O)CCCO C00989 [1,1,0,0,0,0|0,0,0]=2 196 B6R0.4 O=C(O)CCCO C01991 [1,1,0,0,0,0|0,0,0]=2 197 B6R0.4 O=C(O)CCCS C21736 [1,1,0,0,0,0|0,0,0]=2 198 B6R0.4 O=CCCC(=O)O C00232 [1,1,0,0,0,0|0,0,1]=3 199 B6R0.4 [*]C(=O)NCCO C04080 [1,1,0,0,0,0|2,0,0]=4 200 B6R0.4 [*]CCNC(C)=O C15535 [1,1,0,0,0,0|1,0,0]=3 201 B6R0.5 CCOS(C)(=O)=O C19239 [1,1,0,0,0,0|2,0,0]=4 202 B6R0.5 NCCP(=O)(O)O C03557 [1,1,0,0,0,0|2,0,0]=4 203 B6R0.5 NCCS(=O)(=O)O C00245 [1,1,0,0,0,0|2,0,0]=4 204 B6R0.5 NCC[As](=O)(O)O C07279 [1,1,0,0,0,0|2,0,0]=4 205 B6R0.5 O=P(O)(O)CCCl C18399 [1,1,0,0,0,0|2,0,0]=4 206 B6R0.5 O=P(O)(O)CCO C06451 [1,1,0,0,0,0|2,0,0]=4 207 B6R0.5 O=S(=O)(O)CCO C05123 [1,1,0,0,0,0|2,0,0]=4 208 B6R0.5 O=S(=O)(O)CCS C03576 [1,1,0,0,0,0|2,0,0]=4 209 B6R0.6 CCCCCCN C08306 [1,1,0,0,0,0|1,0,1]=4 210 B6R0.6 CCCCOC=O C21713 [1,1,0,0,0,0|0,0,2]=4 211 B6R0.6 CCC\C=C\C=O C08497 [1,1,0,0,0,0|1,0,1]=4 212 B6R0.6 CC\C=C/CCO C08492 [1,1,0,0,0,0|1,0,1]=4 213 B6R0.6 CNCCCCN C02723 [1,1,0,0,0,0|1,0,1]=4 214 B6R0.8 COP(N)(=O)SC C18667 [1,1,0,0,0,0|2,0,0]=4 215 B6R0.8 COS(=O)(=O)OC C19177 [1,1,0,0,0,0|2,0,0]=4 216 B6R0.9 CCN(CC)N=O C14422 [1,1,0,0,0,0|2,0,0]=4 217 B6R0.9 C\C=C(/CC)CO C02893 [1,1,0,0,0,0|1,0,1]=4 218 B8R0.2 CC(=O)C(=O)[C@@H](O)CO C11838 [0,2,0,0,0,0|2,0,0]=4 219 B8R0.2 CCC(C)C(=O)C(=O)O C03465 [0,2,0,0,0,0|2,0,0]=4 220 B8R0.2 CC[C@@H](C)C(=O)C(=O)O C06008 [0,2,0,0,0,0|2,0,0]=4 221 B8R0.2 CC[C@H](C)C(=O)C(=O)O C00671 [0,2,0,0,0,0|2,0,0]=4 222 B8R0.5 CCCC(=O)CC(=O)O C02122 [0,2,0,0,0,0|1,0,1]=4 223 B8R0.5 CCOC(=O)CC(C)=O C03500 [0,2,0,0,0,0|0,0,1]=3 224 B8R0.5 CCOC(=O)CC(C)C C12290 [0,2,0,0,0,0|0,0,0]=2 225 B8R0.5 CCOC(=O)C[C@@H](C)O C03499 [0,2,0,0,0,0|0,0,0]=2 226 B8R0.19 [*]SC(=O)CC(=O)OC C19673 [0,2,0,0,0,0|1,0,1]=4 227 B8R0.23 CC(C)CC(=O)C(=O)O C00233 [0,2,0,0,0,0|2,0,0]=4 228 B8R0.23 CC(O)CC(=O)C(=O)O C03589 [0,2,0,0,0,0|2,0,0]=4 229 B8R0.3 CCOC(=O)N(C)N=O C19301 [0,2,0,0,0,0|2,0,0]=4 230 B8R0.3 C\C=C(/C)C(=O)OCC C08487 [0,2,0,0,0,0|0,0,2]=4 231 B8R0.6 C=CC(=O)OCCCC C10921 [0,2,0,0,0,0|1,0,1]=4 232 B8R0.6 CCCCCC(=O)CC C17145 [0,2,0,0,0,0|1,0,0]=3 233 B8R0.6 CCCCCC(=O)NC C02722 [0,2,0,0,0,0|1,0,0]=3 234 B8R0.6 [*]SC(=O)CCCCC C05749 [0,2,0,0,0,0|1,1,0]=4 235 B8R0.6 [*]SC(=O)\C=C\CCC C05748 [0,2,0,0,0,0|1,1,0]=4 236 B8R0.8 C=C(C)C(=O)OCCO C14530 [0,2,0,0,0,0|2,0,0]=4 237 B8R0.8 CCCCC(=O)C(=O)O C00902 [0,2,0,0,0,0|2,0,0]=4 238 B8R0.8 CSCCC(=O)C(=O)O C01180 [0,2,0,0,0,0|2,0,0]=4 239 B8R0.8 NCCCC(=O)C(=O)O C01110 [0,2,0,0,0,0|2,0,0]=4 240 B8R0.22 CCCN(CCC)N=O C19279 [0,2,0,0,0,0|2,0,0]=4 241 B8R0.30 CCOP(=O)(O)OCC C06608 [0,2,0,0,0,0|2,0,0]=4 242 B8R0.30 CCOS(=O)(=O)OCC C14706 [0,2,0,0,0,0|2,0,0]=4 243 B6R1.2 CC1=NCCC1 C20808 [1,0,0,1,0,0|1,0,0]=3 244 B6R1.2 C[C@@H]1CCCN1 C20809 [1,0,0,1,0,0|1,0,1]=4 245 B6R1.2 C[N+]1=CCCC1 C06178 [1,0,0,1,0,0|2,0,0]=4 246 B6R1.2 O=C1C=CCO1 C17601 [1,0,0,1,0,0|0,0,2]=4 247 B6R1.2 O=C1CC=CO1 C17602 [1,0,0,1,0,0|0,0,2]=4 248 B6R1.2 O=C1CCCC1 C00557 [1,0,0,1,0,0|0,0,0]=2 249 B6R1.2 O=C1CCCO1 C01770 [1,0,0,1,0,0|0,0,0]=2 250 B6R1.2 O=C1NCCO1 C06695 [1,0,0,1,0,0|1,0,0]=3 251 B6R1.2 O=C1OCCO1 C20363 [1,0,0,1,0,0|1,0,0]=3 252 B6R1.2 OC1CCCC1 C02020 [1,0,0,1,0,0|0,0,2]=4 253 B6R1.5 CC1CC(=O)O1 C19201 [1,0,0,1,0,0|0,0,0]=2 254 B6R1.11 O=C(O)C1CC1 C16267 [1,0,0,1,0,0|0,0,0]=2 255 B6R1.1 C1=NCCCC1 C06181 [1,0,0,1,0,0|1,0,0]=3 256 B6R1.1 C1CCCCC1 C11249 [1,0,0,1,0,0|1,0,1]=4 257 B6R1.1 C1CCNCC1 C01746 [1,0,0,1,0,0|1,0,1]=4 258 B6R1.1 C1COCCN1 C14452 [1,0,0,1,0,0|1,0,1]=4 259 B6R1.1 C1COCCO1 C14440 [1,0,0,1,0,0|1,0,1]=4 260 B8R1.4 C[C@H]1CC=CC(=O)O1 C08502 [0,1,0,1,0,0|0,0,2]=4 261 B8R1.4 O=C1CCCC(=O)C1 C01066 [0,1,0,1,0,0|1,0,1]=4 262 B8R1.4 O=C1CCCC(=O)N1 C07275 [0,1,0,1,0,0|1,0,1]=4 263 B8R1.4 O=C1CCCC(O)C1 C03228 [0,1,0,1,0,0|1,0,0]=3 264 B8R1.2 O=NN1CCCCC1 C19284 [0,1,0,1,0,0|2,0,0]=4 265 B8R1.3 O=C1CCC(=O)CC1 C08063 [0,1,0,1,0,0|1,0,1]=4 266 B8R1.5 O=C1CCCCC1=O C06105 [0,1,0,1,0,0|1,0,0]=3 267 B8R1.5 O=C1CCCCC1O C01147 [0,1,0,1,0,0|1,0,0]=3 268 B8R1.22 O=C1CCCCCN1 C06593 [0,1,0,1,0,0|1,0,0]=3 269 B8R1.22 O=C1CCCCCO1 C01880 [0,1,0,1,0,0|0,0,0]=2 270 B8R1.50 C=C1C(=O)OC[C@H]1O C21187 [0,1,0,1,0,0|1,0,1]=4 271 B8R1.11 C=CN1CCCC1=O C19548 [0,1,0,1,0,0|1,0,1]=4