0 B6R1.2 CC1=NCCC1 C20808 [0,0,0,0,0,0|2,0,0]=2 1 B6R1.2 C[C@@H]1CCCN1 C20809 [0,0,0,0,0,0|2,0,1]=3 2 B6R1.2 C[N+]1=CCCC1 C06178 [0,0,0,0,0,0|3,0,0]=3 3 B6R1.2 O=C1C=CCO1 C17601 [0,0,0,0,0,0|0,0,2]=2 4 B6R1.2 O=C1C=CNO1 C20891 [0,0,0,0,0,0|1,0,2]=3 5 B6R1.2 O=C1CC=CO1 C17602 [0,0,0,0,0,0|0,0,2]=2 6 B6R1.2 O=C1CCCC1 C00557 [0,0,0,0,0,0|1,0,0]=1 7 B6R1.2 O=C1CCCO1 C01770 [0,0,0,0,0,0|0,0,0]=0 8 B6R1.2 O=C1CNC=N1 C06195 [0,0,0,0,0,0|2,0,1]=3 9 B6R1.2 O=C1NC=CN1 C20382 [0,0,0,0,0,0|2,0,2]=4 10 B6R1.2 O=C1NCCO1 C06695 [0,0,0,0,0,0|1,0,0]=1 11 B6R1.2 O=C1OCCO1 C20363 [0,0,0,0,0,0|1,0,0]=1 12 B6R1.2 OC1CCCC1 C02020 [0,0,0,0,0,0|1,0,2]=3 13 B6R1.2 S=C1NCCN1 C14398 [0,0,0,0,0,0|2,1,0]=3 14 B5R1.1 C1=COC=C1 C14275 [1,0,0,0,0,0|0,0,3]=4 15 B5R1.1 C1=NCCC1 C15668 [1,0,0,0,0,0|1,0,0]=2 16 B7R1.1 O=CC1=CC=CO1 C14279 [0,1,0,0,0,0|0,0,3]=4 17 B7R1.1 O=NN1CCCC1 C19285 [0,1,0,0,0,0|2,0,0]=3 18 B7R1.1 O=NN1CCSC1 C11119 [0,1,0,0,0,0|3,0,0]=4 19 B7R1.2 C=C1C=CC(=O)O1 C07090 [0,1,0,0,0,0|0,0,3]=4 20 B7R1.2 O=C1CCC(=O)N1 C07273 [0,1,0,0,0,0|1,0,1]=3 21 B7R1.2 O=C1CCC(=O)O1 C19524 [0,1,0,0,0,0|0,0,1]=2 22 B7R1.2 O=C1CNC(=O)N1 C05146 [0,1,0,0,0,0|2,0,1]=4 23 B7R1.2 O=C1CSC(=S)N1 C07280 [0,1,0,0,0,0|2,0,1]=4 24 B7R1.4 C=C1CCOC1=O C20578 [0,1,0,0,0,0|0,0,1]=2 25 B7R1.4 CN1CCCC1=O C11118 [0,1,0,0,0,0|1,0,0]=2 26 B7R1.4 NC1CCOC1=O C02926 [0,1,0,0,0,0|0,0,0]=1 27 B7R1.4 NC1CONC1=O C06682 [0,1,0,0,0,0|2,0,0]=3 28 B7R1.4 N[C@H]1CCOC1=O C19777 [0,1,0,0,0,0|0,0,0]=1 29 B7R1.4 [C@@H]1(N)CONC1=O C08057 [0,1,0,0,0,0|2,0,0]=3 30 B7R1.14 O=S1(=O)CCCO1 C19296 [0,1,0,0,0,0|1,0,0]=2 31 B5R0.1 C#CCC(=O)O C06144 [0,0,1,0,0,0|0,0,2]=3 32 B5R0.1 C=COC(C)=O C19309 [0,0,1,0,0,0|0,0,2]=3 33 B5R0.1 C=COC(C)=O C19546 [0,0,1,0,0,0|0,0,2]=3 34 B5R0.1 CC(=O)NCN C02297 [0,0,1,0,0,0|2,0,0]=3 35 B5R0.1 CC(C)=CCO C01390 [0,0,1,0,0,0|3,0,0]=4 36 B5R0.1 CC(O)CCO C20335 [0,0,1,0,0,0|2,0,1]=4 37 B5R0.1 CCCC(=O)O C00246 [0,0,1,0,0,0|0,0,0]=1 38 B5R0.1 CCCC(C)=O C01949 [0,0,1,0,0,0|1,0,0]=2 39 B5R0.1 CCNC(C)=O C21404 [0,0,1,0,0,0|1,0,0]=2 40 B5R0.1 CCOC(C)=O C00849 [0,0,1,0,0,0|0,0,0]=1 41 B5R0.1 CCOC(N)=O C01537 [0,0,1,0,0,0|1,0,0]=2 42 B5R0.1 CNCC(=O)O C00213 [0,0,1,0,0,0|1,0,0]=2 43 B5R0.1 CSCC(=O)O C03173 [0,0,1,0,0,0|1,0,0]=2 44 B5R0.1 C\C=C\C(=O)O C01771 [0,0,1,0,0,0|0,0,2]=3 45 B5R0.1 NC(=O)NCO C06384 [0,0,1,0,0,0|3,0,0]=4 46 B5R0.1 NCCC(=O)O C00099 [0,0,1,0,0,0|1,0,0]=2 47 B5R0.1 NCCC(N)=O C19779 [0,0,1,0,0,0|2,0,0]=3 48 B5R0.1 NCCS(=O)O C00519 [0,0,1,0,0,0|2,0,0]=3 49 B5R0.1 NCNC(N)=O C06383 [0,0,1,0,0,0|3,0,0]=4 50 B5R0.1 N\C=C/C(=O)O C20253 [0,0,1,0,0,0|1,0,2]=4 51 B5R0.1 O=C(O)CCO C01013 [0,0,1,0,0,0|1,0,0]=2 52 B5R0.1 O=C(O)\C=C/Cl C06615 [0,0,1,0,0,0|1,0,2]=4 53 B5R0.1 O=C(O)\C=C\Cl C06614 [0,0,1,0,0,0|1,0,2]=4 54 B5R0.1 O=C(O)\C=C\O C12069 [0,0,1,0,0,0|1,0,2]=4 55 B5R0.1 O=CCC(=O)O C00222 [0,0,1,0,0,0|1,0,1]=3 56 B5R0.1 P(=O)(O)OCC C18401 [0,0,1,0,0,0|2,0,0]=3 57 B5R0.1 [*]C(=O)OCC C04202 [0,0,1,0,0,0|1,0,0]=2 58 B5R0.1 [*]CCC(=O)O C00347 [0,0,1,0,0,0|1,0,0]=2 59 B5R0.1 [*]CCC(=O)O C00638 [0,0,1,0,0,0|1,0,0]=2 60 B5R0.1 [*]COC([*])=O C02434 [0,0,1,0,0,0|2,0,0]=3 61 B5R0.1 [*]\C=C\C(=O)O C11823 [0,0,1,0,0,0|1,0,2]=4 62 B5R0.2 CCCCCC C11271 [0,0,1,0,0,0|2,0,1]=4 63 B5R0.2 CCCCCO C16834 [0,0,1,0,0,0|1,0,1]=3 64 B5R0.2 CCOCCO C14687 [0,0,1,0,0,0|2,0,1]=4 65 B5R0.2 CSCCCN C03354 [0,0,1,0,0,0|3,0,0]=4 66 B5R0.2 NCCCC=O C00555 [0,0,1,0,0,0|1,0,0]=2 67 B5R0.2 NCCCC=O C02903 [0,0,1,0,0,0|1,0,0]=2 68 B5R0.2 NCCCCN C00134 [0,0,1,0,0,0|2,0,1]=4 69 B5R0.2 NCCCCN C02896 [0,0,1,0,0,0|2,0,1]=4 70 B5R0.2 O=CC#CCO C02648 [0,0,1,0,0,0|0,0,2]=3 71 B5R0.2 O=CCCC=O C16835 [0,0,1,0,0,0|0,0,2]=3 72 B5R0.3 C=CC(=O)OC C19443 [0,0,1,0,0,0|0,0,2]=3 73 B5R0.3 CNC(=O)NC C16364 [0,0,1,0,0,0|2,0,0]=3 74 B5R0.3 O=C(CO)CO C00184 [0,0,1,0,0,0|3,0,0]=4 75 B5R0.3 P(=O)(OC)OC C19406 [0,0,1,0,0,0|2,0,0]=3 76 B5R1.2 O=C1CCO1 C19297 [0,0,0,0,1,0|0,0,0]=1 77 B7R1.3 NC1CCCCC1 C00571 [0,0,0,0,0,1|2,0,1]=4 78 B7R1.3 O=C1C=CCCC1 C02395 [0,0,0,0,0,1|1,0,0]=2 79 B7R1.3 O=C1CCCCC1 C00414 [0,0,0,0,0,1|1,0,0]=2 80 B7R1.3 O=C1CCCCO1 C02240 [0,0,0,0,0,1|0,0,0]=1 81 B7R1.3 OC1CCCCC1 C00854 [0,0,0,0,0,1|1,0,2]=4 82 B4R0.1 C#CC(=O)O C00804 [1,0,1,0,0,0|0,0,2]=4 83 B4R0.1 C=C(C)CCl C19363 [1,0,1,0,0,0|2,0,0]=4 84 B4R0.1 C=CC(=O)O C00511 [1,0,1,0,0,0|0,0,2]=4 85 B4R0.1 C=CC(=O)O C19501 [1,0,1,0,0,0|0,0,2]=4 86 B4R0.1 C=CC(C)=O C20701 [1,0,1,0,0,0|0,0,2]=4 87 B4R0.1 CC(=O)C=O C00546 [1,0,1,0,0,0|1,0,1]=4 88 B4R0.1 CC(=O)CN C01888 [1,0,1,0,0,0|1,0,0]=3 89 B4R0.1 CC(=O)CO C05235 [1,0,1,0,0,0|1,0,0]=3 90 B4R0.1 CC(=O)NN C07447 [1,0,1,0,0,0|2,0,0]=4 91 B4R0.1 CC(=O)NO C06808 [1,0,1,0,0,0|2,0,0]=4 92 B4R0.1 CCC(=O)O C00163 [1,0,1,0,0,0|0,0,0]=2 93 B4R0.1 CCC(C)=O C02845 [1,0,1,0,0,0|0,0,0]=2 94 B4R0.1 CCC(C)N C18706 [1,0,1,0,0,0|1,0,1]=4 95 B4R0.1 CC[N+](=O)[O-] C01837 [1,0,1,0,0,0|1,0,1]=4 96 B4R0.1 CNC(N)=O C16363 [1,0,1,0,0,0|2,0,0]=4 97 B4R0.1 COC(C)=O C17530 [1,0,1,0,0,0|0,0,0]=2 98 B4R0.1 COC(N)=O C19445 [1,0,1,0,0,0|1,0,0]=3 99 B4R0.1 N=CC(=O)O C15809 [1,0,1,0,0,0|1,0,1]=4 100 B4R0.1 NC(=O)CF C18675 [1,0,1,0,0,0|2,0,0]=4 101 B4R0.1 NCC(=O)O C00037 [1,0,1,0,0,0|1,0,0]=3 102 B4R0.1 O=C(Cl)CCl C14859 [1,0,1,0,0,0|2,0,0]=4 103 B4R0.1 O=C(O)CCl C06755 [1,0,1,0,0,0|1,0,0]=3 104 B4R0.1 O=C(O)CF C06108 [1,0,1,0,0,0|1,0,0]=3 105 B4R0.1 O=C(O)CO C00160 [1,0,1,0,0,0|1,0,0]=3 106 B4R0.1 O=C(O)CO C03547 [1,0,1,0,0,0|1,0,0]=3 107 B4R0.1 O=C(O)CS C02086 [1,0,1,0,0,0|1,0,0]=3 108 B4R0.1 O=C([O-])CF C18588 [1,0,1,0,0,0|1,0,1]=4 109 B4R0.1 O=CC(=O)O C00048 [1,0,1,0,0,0|1,0,1]=4 110 B4R0.1 [*]C(=O)CO C03667 [1,0,1,0,0,0|2,0,0]=4 111 B4R0.1 [*]C(=O)OC C03395 [1,0,1,0,0,0|1,0,0]=3 112 B4R0.1 [*]CC(=O)O C01812 [1,0,1,0,0,0|1,0,0]=3 113 B4R0.1 [*]NC(C)=O C02998 [1,0,1,0,0,0|2,0,0]=4 114 B4R0.1 [*]OC(C)=O C01883 [1,0,1,0,0,0|1,0,0]=3 115 B4R0.1 [*]OC(C)=O C03707 [1,0,1,0,0,0|1,0,0]=3 116 B4R0.1 [*]OC([*])=O C02391 [1,0,1,0,0,0|2,0,0]=4 117 B4R0.1 [*]SC(C)=O C03939 [1,0,1,0,0,0|1,1,0]=4 118 B4R0.1 [*]SC(C)=O C04334 [1,0,1,0,0,0|1,1,0]=4 119 B4R0.2 C#CCC=O C06145 [1,0,1,0,0,0|0,0,2]=4 120 B4R0.2 C#CCCO C06146 [1,0,1,0,0,0|0,0,2]=4 121 B4R0.2 C=CCCN C12244 [1,0,1,0,0,0|1,0,1]=4 122 B4R0.2 CCC=S=O C08389 [1,0,1,0,0,0|0,1,1]=4 123 B4R0.2 CCCC=O C01412 [1,0,1,0,0,0|0,0,0]=2 124 B4R0.2 CCCCO C06142 [1,0,1,0,0,0|0,0,1]=3 125 B4R0.2 CCOCC C13240 [1,0,1,0,0,0|0,0,1]=3 126 B4R0.2 CCSCC C02272 [1,0,1,0,0,0|0,1,1]=4 127 B4R0.2 C\C=C\C=O C19377 [1,0,1,0,0,0|0,0,2]=4 128 B4R0.2 NCCC=O C05665 [1,0,1,0,0,0|1,0,0]=3 129 B4R0.2 NCCCN C00986 [1,0,1,0,0,0|2,0,0]=4 130 B4R0.2 O=CCC=O C19440 [1,0,1,0,0,0|0,0,2]=4 131 B4R0.2 O=CCCO C00969 [1,0,1,0,0,0|0,0,0]=2 132 B4R0.2 OCCCO C02457 [1,0,1,0,0,0|0,0,1]=3 133 B4R0.2 OC\C=C/Cl C06612 [1,0,1,0,0,0|1,0,1]=4 134 B4R0.2 OC\C=C\Cl C06611 [1,0,1,0,0,0|1,0,1]=4 135 B4R0.2 [*]CCC=O C00609 [1,0,1,0,0,0|1,0,0]=3 136 B6R0.1 C=CC(=O)OCC C19238 [0,1,1,0,0,0|0,0,1]=3 137 B6R0.1 COCC(=O)OC C14601 [0,1,1,0,0,0|1,0,0]=3 138 B6R0.1 [*]CCC(=O)S[*] C00173 [0,1,1,0,0,0|1,1,0]=4 139 B6R0.1 [*]CCC(=O)S[*] C20683 [0,1,1,0,0,0|1,1,0]=4 140 B6R0.1 [*]OCC(=O)CO C02446 [0,1,1,0,0,0|2,0,0]=4 141 B6R0.1 [*]SC(=O)CCC C05745 [0,1,1,0,0,0|0,1,0]=3 142 B6R0.2 CC(=O)CC(=O)O C00164 [0,1,1,0,0,0|0,0,1]=3 143 B6R0.2 CC(=O)CC(=O)[O-] C17688 [0,1,1,0,0,0|0,0,2]=4 144 B6R0.2 CC(=O)CC(C)=O C15499 [0,1,1,0,0,0|1,0,1]=4 145 B6R0.2 CC(=O)CC(C)C C19263 [0,1,1,0,0,0|1,0,0]=3 146 B6R0.2 CC(=O)CC(N)=O C11106 [0,1,1,0,0,0|1,0,1]=4 147 B6R0.2 CC(C)CC(=O)O C08262 [0,1,1,0,0,0|0,0,0]=2 148 B6R0.2 CC(C)OC(=S)S C19127 [0,1,1,0,0,0|1,1,0]=4 149 B6R0.2 CC(O)CC(N)=O C11109 [0,1,1,0,0,0|1,0,0]=3 150 B6R0.2 CN(C)CC(=O)O C01026 [0,1,1,0,0,0|1,0,0]=3 151 B6R0.2 C[C@@H](O)CC(=O)O C01089 [0,1,1,0,0,0|0,0,0]=2 152 B6R0.2 C[C@H](O)CC(=O)O C03197 [0,1,1,0,0,0|0,0,0]=2 153 B6R0.2 C[S+](C)CC(=O)O C03392 [0,1,1,0,0,0|1,0,0]=3 154 B6R0.2 NC(=O)CC(=O)O C04131 [0,1,1,0,0,0|1,0,1]=4 155 B6R0.2 O=C(O)CC(=O)O C00383 [0,1,1,0,0,0|1,0,1]=4 156 B6R0.2 O=C(O)CC(=O)O C02028 [0,1,1,0,0,0|1,0,1]=4 157 B6R0.2 O=C(O)CC(=O)O C04025 [0,1,1,0,0,0|1,0,1]=4 158 B6R0.2 [*]C(=O)CC(=O)O C01656 [0,1,1,0,0,0|1,0,1]=4 159 B6R0.2 [*]C(O)CC(=O)O C03834 [0,1,1,0,0,0|1,0,0]=3 160 B6R0.3 CC(C=O)C(=O)O C00349 [0,1,1,0,0,0|1,0,1]=4 161 B6R0.3 CC(CN)C(=O)O C05145 [0,1,1,0,0,0|1,0,0]=3 162 B6R0.3 CC(CO)C(=O)O C01188 [0,1,1,0,0,0|1,0,0]=3 163 B6R0.3 CCC(=N)C(=O)O C20905 [0,1,1,0,0,0|0,0,1]=3 164 B6R0.3 CCC(=O)C(=O)O C00109 [0,1,1,0,0,0|0,0,1]=3 165 B6R0.3 CCC(C)C(=O)O C18319 [0,1,1,0,0,0|0,0,0]=2 166 B6R0.3 CC[C@@H](N)C(=O)O C02261 [0,1,1,0,0,0|0,0,0]=2 167 B6R0.3 CC[C@H](N)C(=O)O C02356 [0,1,1,0,0,0|0,0,0]=2 168 B6R0.3 CC[C@H](O)C(=O)O C05984 [0,1,1,0,0,0|0,0,0]=2 169 B6R0.3 CN[C@@H](C)C(=O)O C02721 [0,1,1,0,0,0|1,0,0]=3 170 B6R0.3 C[C@@H](C=O)C(=O)O C06002 [0,1,1,0,0,0|1,0,1]=4 171 B6R0.3 C[C@@H](CN)C(=O)O C03284 [0,1,1,0,0,0|1,0,0]=3 172 B6R0.3 C[C@@H](CO)C(=O)O C06001 [0,1,1,0,0,0|1,0,0]=3 173 B6R0.3 C[C@H](C=O)C(=O)O C21030 [0,1,1,0,0,0|1,0,1]=4 174 B6R0.3 C[C@H](CN)C(=O)O C01205 [0,1,1,0,0,0|1,0,0]=3 175 B6R0.3 C\C=C(/C)C(=O)O C08279 [0,1,1,0,0,0|0,0,2]=4 176 B6R0.3 C\C=C(/N)C(=O)O C17234 [0,1,1,0,0,0|0,0,2]=4 177 B6R0.3 NC(CO)C(=O)O C00716 [0,1,1,0,0,0|1,0,0]=3 178 B6R0.3 NC(CS)C(=O)O C00736 [0,1,1,0,0,0|1,0,0]=3 179 B6R0.3 NCC(F)C(=O)O C16632 [0,1,1,0,0,0|1,0,0]=3 180 B6R0.3 NCC(N)C(=O)O C06393 [0,1,1,0,0,0|1,0,0]=3 181 B6R0.3 NC[C@H](N)C(=O)O C03401 [0,1,1,0,0,0|1,0,0]=3 182 B6R0.3 N[C@@H](C=O)C(=O)O C11822 [0,1,1,0,0,0|1,0,1]=4 183 B6R0.3 N[C@@H](CCl)C(=O)O C02635 [0,1,1,0,0,0|1,0,0]=3 184 B6R0.3 N[C@@H](CO)C(=O)O C00065 [0,1,1,0,0,0|1,0,0]=3 185 B6R0.3 N[C@@H](CS)C(=O)O C00097 [0,1,1,0,0,0|1,0,0]=3 186 B6R0.3 N[C@H](CCl)C(=O)O C02634 [0,1,1,0,0,0|1,0,0]=3 187 B6R0.3 N[C@H](CF)C(=O)O C02638 [0,1,1,0,0,0|1,0,0]=3 188 B6R0.3 N[C@H](CO)C(=O)O C00740 [0,1,1,0,0,0|1,0,0]=3 189 B6R0.3 N[C@H](CS)C(=O)O C00793 [0,1,1,0,0,0|1,0,0]=3 190 B6R0.3 O=C(O)C(=O)CO C00168 [0,1,1,0,0,0|1,0,1]=4 191 B6R0.3 O=C(O)C(=O)CS C00957 [0,1,1,0,0,0|1,0,1]=4 192 B6R0.3 O=C(O)[C@@H](O)CS C05823 [0,1,1,0,0,0|1,0,0]=3 193 B6R0.3 O=C(O)[C@H](O)CO C00258 [0,1,1,0,0,0|1,0,0]=3 194 B6R0.3 O=CC(O)C(=O)O C01146 [0,1,1,0,0,0|1,0,1]=4 195 B6R0.3 [*]C(=O)[C@@H](N)CS C21487 [0,1,1,0,0,0|2,0,0]=4 196 B6R0.3 [*]CC(=O)C(=O)O C00972 [0,1,1,0,0,0|1,0,1]=4 197 B6R0.3 [*]CC(=O)C(=O)O C17265 [0,1,1,0,0,0|1,0,1]=4 198 B6R0.3 [*]CC(N)C(=O)O C17266 [0,1,1,0,0,0|1,0,0]=3 199 B6R0.3 [*]CC(O)C(=O)O C05102 [0,1,1,0,0,0|1,0,0]=3 200 B6R0.3 [*]C[C@H](N)C(=O)O C01021 [0,1,1,0,0,0|1,0,0]=3 201 B6R0.3 [*][C@H](NC)C(=O)O C03148 [0,1,1,0,0,0|1,0,0]=3 202 B6R0.3 [*][C@H](NO)C(=O)O C05710 [0,1,1,0,0,0|2,0,0]=4 203 B6R0.3 [SeH]C[C@H](N)C(=O)O C05688 [0,1,1,0,0,0|1,0,0]=3 204 B6R0.4 CC(=O)SCCN C03537 [0,1,1,0,0,0|0,1,0]=3 205 B6R0.4 CCCCC(=O)O C00803 [0,1,1,0,0,0|0,0,0]=2 206 B6R0.4 CCCCC(N)=O C01842 [0,1,1,0,0,0|1,0,0]=3 207 B6R0.4 CCCOC(N)=O C19514 [0,1,1,0,0,0|1,0,0]=3 208 B6R0.4 CCNCC(=O)O C11735 [0,1,1,0,0,0|0,0,0]=2 209 B6R0.4 CSCCC(=O)O C08276 [0,1,1,0,0,0|0,0,0]=2 210 B6R0.4 N=CNCC(=O)O C02718 [0,1,1,0,0,0|1,0,1]=4 211 B6R0.4 NCCCC(=O)O C00334 [0,1,1,0,0,0|0,0,0]=2 212 B6R0.4 O=C(O)CCCO C00989 [0,1,1,0,0,0|0,0,0]=2 213 B6R0.4 O=C(O)CCCO C01991 [0,1,1,0,0,0|0,0,0]=2 214 B6R0.4 O=C(O)CCCS C21736 [0,1,1,0,0,0|0,0,0]=2 215 B6R0.4 O=CCCC(=O)O C00232 [0,1,1,0,0,0|0,0,1]=3 216 B6R0.4 [*]C(=O)NCCO C04080 [0,1,1,0,0,0|2,0,0]=4 217 B6R0.4 [*]CCNC(C)=O C15535 [0,1,1,0,0,0|1,0,0]=3 218 B6R0.5 CCOS(C)(=O)=O C19239 [0,1,1,0,0,0|1,0,0]=3 219 B6R0.5 NCCP(=O)(O)O C03557 [0,1,1,0,0,0|2,0,0]=4 220 B6R0.5 NCCS(=O)(=O)O C00245 [0,1,1,0,0,0|2,0,0]=4 221 B6R0.5 NCC[As](=O)(O)O C07279 [0,1,1,0,0,0|2,0,0]=4 222 B6R0.5 O=P(O)(O)CCCl C18399 [0,1,1,0,0,0|2,0,0]=4 223 B6R0.5 O=P(O)(O)CCO C06451 [0,1,1,0,0,0|2,0,0]=4 224 B6R0.5 O=S(=O)(O)CCO C05123 [0,1,1,0,0,0|2,0,0]=4 225 B6R0.5 O=S(=O)(O)CCS C03576 [0,1,1,0,0,0|2,0,0]=4 226 B6R0.6 CCCCOC=O C21713 [0,1,1,0,0,0|0,0,0]=2 227 B6R0.6 CCC\C=C\C=O C08497 [0,1,1,0,0,0|1,0,0]=3 228 B6R0.6 CC\C=C/CC=O C16310 [0,1,1,0,0,0|1,0,1]=4 229 B6R0.6 CC\C=C/CCO C08492 [0,1,1,0,0,0|1,0,1]=4 230 B6R0.6 CNCCCC=O C10974 [0,1,1,0,0,0|1,0,0]=3 231 B6R0.6 NCCCCC=O C12455 [0,1,1,0,0,0|1,0,0]=3 232 B6R0.6 O=CCCCC=O C12518 [0,1,1,0,0,0|0,0,1]=3 233 B6R0.6 OCCNCCO C06772 [0,1,1,0,0,0|0,0,2]=4 234 B6R0.6 OCCOCCO C14689 [0,1,1,0,0,0|0,0,2]=4 235 B6R0.8 COP(N)(=O)SC C18667 [0,1,1,0,0,0|2,0,0]=4 236 B6R0.8 COS(=O)(=O)OC C19177 [0,1,1,0,0,0|2,0,0]=4 237 B6R0.9 CCN(CC)N=O C14422 [0,1,1,0,0,0|2,0,0]=4 238 B6R0.9 C\C=C(/CC)CO C02893 [0,1,1,0,0,0|1,0,1]=4 239 B6R1.5 CC1CC(=O)O1 C19201 [0,1,0,0,1,0|0,0,0]=2 240 B8R1.2 O=NN1CCCCC1 C19284 [0,1,0,0,0,1|2,0,0]=4 241 B8R1.2 O=NN1CCOCC1 C19283 [0,1,0,0,0,1|2,0,0]=4 242 B8R1.3 O=C1CCC(=O)CC1 C08063 [0,1,0,0,0,1|1,0,0]=3 243 B8R1.3 O=C1CNC(=O)CN1 C02777 [0,1,0,0,0,1|1,0,1]=4 244 B8R1.4 C[C@H]1CC=CC(=O)O1 C08502 [0,1,0,0,0,1|0,0,1]=3 245 B8R1.4 O=C1CCCC(=O)C1 C01066 [0,1,0,0,0,1|1,0,0]=3 246 B8R1.4 O=C1CCCC(=O)N1 C07275 [0,1,0,0,0,1|1,0,0]=3 247 B8R1.4 O=C1CCCC(O)C1 C03228 [0,1,0,0,0,1|1,0,0]=3 248 B8R1.4 O=C1CCNC(=O)N1 C00429 [0,1,0,0,0,1|1,0,1]=4 249 B8R1.5 O=C1CCCCC1=O C06105 [0,1,0,0,0,1|1,0,0]=3 250 B8R1.5 O=C1CCCCC1O C01147 [0,1,0,0,0,1|1,0,0]=3 251 B8R1.1 [C@H]1(C=C)CNC(=S)O1 C16817 [0,2,0,0,0,0|1,1,0]=4 252 B8R1.7 NC(=O)[C@@H]1CCCN1 C19781 [0,2,0,0,0,0|1,0,1]=4 253 B8R1.7 O=C(O)C1=NCCC1 C03564 [0,2,0,0,0,0|1,0,0]=3 254 B8R1.7 O=C(O)C1CCCN1 C16435 [0,2,0,0,0,0|1,0,1]=4 255 B8R1.7 O=C(O)C1CCCS1 C11074 [0,2,0,0,0,0|0,1,1]=4 256 B8R1.7 O=C(O)[C@@H]1CCCN1 C00148 [0,2,0,0,0,0|1,0,1]=4 257 B8R1.7 O=C(O)[C@H]1CCCN1 C00763 [0,2,0,0,0,0|1,0,1]=4 258 B8R1.11 C=CN1CCCC1=O C19548 [0,2,0,0,0,0|1,0,0]=3 259 B8R1.50 C=C1C(=O)OC[C@H]1O C21187 [0,2,0,0,0,0|0,0,1]=3 260 B8R1.50 OC1OC[C@@H](O)[C@@H]1O C06463 [0,2,0,0,0,0|0,0,2]=4 261 B8R1.50 OC1OC[C@@H](O)[C@H]1O C01796 [0,2,0,0,0,0|0,0,2]=4 262 B8R1.51 N[Pt]1(N)OCC(=O)O1 C12862 [0,2,0,0,0,0|2,0,0]=4 263 B6R1.11 O=C(O)C1CC1 C16267 [0,0,1,1,0,0|0,0,0]=2 264 B6R1.1 C1=NCCCC1 C06181 [0,0,1,1,0,0|2,0,0]=4 265 B4R1.2 CC1CO1 C15508 [0,0,0,0,2,0|1,0,1]=4 266 B4R1.2 C[C@@H]1CO1 C11506 [0,0,0,0,2,0|1,0,1]=4 267 B4R1.2 C[C@H]1CO1 C11507 [0,0,0,0,2,0|1,0,1]=4 268 B4R1.2 ClC1CO1 C20303 [0,0,0,0,2,0|1,0,1]=4 269 B4R1.2 NC1CC1 C14150 [0,0,0,0,2,0|1,0,1]=4 270 B4R1.2 [CH2-]C1CC1 C05354 [0,0,0,0,2,0|1,0,1]=4 271 B8R1.22 O=C1CCCCCN1 C06593 [0,0,0,0,0,2|1,0,0]=3 272 B8R1.22 O=C1CCCCCO1 C01880 [0,0,0,0,0,2|0,0,0]=2