0 B6R0.1 C=CC(=O)OCC C19238 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 C\C=N\N(C)C=O C08305 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.1 [*]SC(=O)CCC C05745 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 CC(=O)NCN C02297 [1,0,0,0,0,0|2,0,1]=4 4 B5R0.1 CC(C)CC=O C07329 [1,0,0,0,0,0|1,0,2]=4 5 B5R0.1 CC(C)CCN C02640 [1,0,0,0,0,0|1,0,1]=3 6 B5R0.1 CC(C)CCO C07328 [1,0,0,0,0,0|1,0,1]=3 7 B5R0.1 CC(C)CNO C21369 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 CC(O)CCO C20335 [1,0,0,0,0,0|1,0,1]=3 9 B5R0.1 CCCC(=O)O C00246 [1,0,0,0,0,0|1,0,1]=3 10 B5R0.1 CCCC(C)=O C01949 [1,0,0,0,0,0|0,0,1]=2 11 B5R0.1 CCNC(C)=O C21404 [1,0,0,0,0,0|1,0,1]=3 12 B5R0.1 CCOC(C)=O C00849 [1,0,0,0,0,0|1,0,1]=3 13 B5R0.1 CCOC(N)=O C01537 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 CNCC(=O)O C00213 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.1 CSCC(=O)O C03173 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 NCCC(=O)O C00099 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 NCCC(N)=O C19779 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 NCCS(=O)O C00519 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.1 O=C(O)CCO C01013 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 P(=O)(O)OCC C18401 [1,0,0,0,0,0|3,0,0]=4 21 B5R0.1 [*]C(=O)OCC C04202 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 [*]CCC(=O)O C00347 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.1 [*]CCC(=O)O C00638 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.2 C=CCSSC C08383 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.2 CCCCCC C11271 [1,0,0,0,0,0|1,0,1]=3 26 B5R0.2 CCCCCO C16834 [1,0,0,0,0,0|0,0,2]=3 27 B5R0.2 CCOCCO C14687 [1,0,0,0,0,0|1,0,2]=4 28 B5R0.2 CSCCCN C03354 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.2 NCCCC=O C00555 [1,0,0,0,0,0|1,0,0]=2 30 B5R0.2 NCCCC=O C02903 [1,0,0,0,0,0|1,0,0]=2 31 B5R0.2 NCCCCN C00134 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.2 NCCCCN C02896 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.2 O=CC#CCO C02648 [1,0,0,0,0,0|1,0,2]=4 34 B5R0.2 O=CCCC=O C16835 [1,0,0,0,0,0|1,0,1]=3 35 B5R0.3 CCC(C)C#N C21525 [1,0,0,0,0,0|1,0,1]=3 36 B5R0.3 CCC(C)C=O C02223 [1,0,0,0,0,0|0,0,0]=1 37 B5R0.3 CCN(C)N=O C19281 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.3 CN(C=O)CO C11488 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.3 CN(CO)N=O C20301 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.3 O=CC(O)CO C02154 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.3 O=C[C@@H](O)CO C02426 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.3 O=C[C@H](O)CO C00577 [1,0,0,0,0,0|2,0,0]=3 43 B7R0.3 CN(CCC#N)N=O C19280 [0,1,0,0,0,0|2,0,1]=4 44 B7R0.3 CN(CCC=O)N=O C19484 [0,1,0,0,0,0|2,0,1]=4 45 B7R0.5 CCCC(=O)C(=O)O C06255 [0,1,0,0,0,0|1,0,1]=3 46 B7R0.5 CCC[C@@H](N)C(=O)O C01799 [0,1,0,0,0,0|1,0,0]=2 47 B7R0.5 CCC[C@H](N)C(=O)O C01826 [0,1,0,0,0,0|1,0,0]=2 48 B7R0.5 CNC[C@H](N)C(=O)O C08291 [0,1,0,0,0,0|2,0,0]=3 49 B7R0.5 C[Se]CC(=O)C(=O)O C18904 [0,1,0,0,0,0|2,0,1]=4 50 B7R0.5 C[Se]C[C@H](N)C(=O)O C05689 [0,1,0,0,0,0|2,0,0]=3 51 B7R0.5 N#CC[C@H](N)C(=O)O C02512 [0,1,0,0,0,0|2,0,1]=4 52 B7R0.5 NC(CCS)C(=O)O C05330 [0,1,0,0,0,0|2,0,0]=3 53 B7R0.5 NCC[C@H](N)C(=O)O C03283 [0,1,0,0,0,0|2,0,0]=3 54 B7R0.5 N[C@@H](CC=O)C(=O)O C00441 [0,1,0,0,0,0|2,0,1]=4 55 B7R0.5 N[C@@H](CCO)C(=O)O C00263 [0,1,0,0,0,0|2,0,0]=3 56 B7R0.5 N[C@@H](CCS)C(=O)O C00155 [0,1,0,0,0,0|2,0,0]=3 57 B7R0.5 N[C@@H](CSS)C(=O)O C01962 [0,1,0,0,0,0|3,0,0]=4 58 B7R0.5 [*]SC[C@H](N)C(=O)O C02749 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.5 [*]SC[C@H](N)C(=O)O C02882 [0,1,0,0,0,0|3,0,0]=4 60 B7R0.5 [*]SC[C@H](N)C(=O)O C05726 [0,1,0,0,0,0|3,0,0]=4 61 B7R0.5 [SeH]CC[C@H](N)C(=O)O C05698 [0,1,0,0,0,0|2,0,0]=3 62 B7R1.1 O=NN1CCCC1 C19285 [0,0,0,1,0,0|2,0,0]=3 63 B7R1.1 O=NN1CCSC1 C11119 [0,0,0,1,0,0|3,0,0]=4 64 B7R1.3 NC1CCCCC1 C00571 [0,0,0,1,0,0|2,0,1]=4 65 B7R1.3 O=C1C=CCCC1 C02395 [0,0,0,1,0,0|2,0,1]=4 66 B7R1.3 OC1CCCCC1 C00854 [0,0,0,1,0,0|2,0,1]=4 67 B7R1.4 C=C1CCOC1=O C20578 [0,0,0,1,0,0|1,0,2]=4 68 B7R1.4 CN1CCCC1=O C11118 [0,0,0,1,0,0|1,0,0]=2 69 B7R1.4 NC1CCOC1=O C02926 [0,0,0,1,0,0|2,0,0]=3 70 B7R1.4 NC1CONC1=O C06682 [0,0,0,1,0,0|3,0,0]=4 71 B7R1.4 N[C@H]1CCOC1=O C19777 [0,0,0,1,0,0|2,0,0]=3 72 B7R1.4 [C@@H]1(N)CONC1=O C08057 [0,0,0,1,0,0|3,0,0]=4 73 B4R0.1 C(=O)C(C)O C05999 [2,0,0,0,0,0|1,0,0]=3 74 B4R0.1 C(=O)N(C)C C03134 [2,0,0,0,0,0|1,0,0]=3 75 B4R0.1 C=C(C)CCl C19363 [2,0,0,0,0,0|1,0,1]=4 76 B4R0.1 CC(=O)C=O C00546 [2,0,0,0,0,0|1,0,1]=4 77 B4R0.1 CC(=O)CN C01888 [2,0,0,0,0,0|1,0,1]=4 78 B4R0.1 CC(=O)CO C05235 [2,0,0,0,0,0|1,0,1]=4 79 B4R0.1 CC(C)=CCl C19206 [2,0,0,0,0,0|1,0,1]=4 80 B4R0.1 CC(C)C#N C02420 [2,0,0,0,0,0|1,0,1]=4 81 B4R0.1 CC(C)CN C02787 [2,0,0,0,0,0|1,0,1]=4 82 B4R0.1 CC(C)CO C14710 [2,0,0,0,0,0|0,0,2]=4 83 B4R0.1 CC(Cl)CCl C19034 [2,0,0,0,0,0|2,0,0]=4 84 B4R0.1 CC(O)CN C05771 [2,0,0,0,0,0|1,0,1]=4 85 B4R0.1 CC(O)CO C00583 [2,0,0,0,0,0|1,0,1]=4 86 B4R0.1 CCC(=O)O C00163 [2,0,0,0,0,0|1,0,1]=4 87 B4R0.1 CCC(C)=O C02845 [2,0,0,0,0,0|0,0,1]=3 88 B4R0.1 CCC(C)N C18706 [2,0,0,0,0,0|1,0,0]=3 89 B4R0.1 CC[N+](=O)[O-] C01837 [2,0,0,0,0,0|2,0,0]=4 90 B4R0.1 CN(C)N=O C14704 [2,0,0,0,0,0|2,0,0]=4 91 B4R0.1 COC(C)=O C17530 [2,0,0,0,0,0|1,0,1]=4 92 B4R0.1 C[C@@H](O)C=O C00937 [2,0,0,0,0,0|1,0,0]=3 93 B4R0.1 C[C@@H](O)CN C03194 [2,0,0,0,0,0|1,0,1]=4 94 B4R0.1 C[C@@H](O)CO C02912 [2,0,0,0,0,0|1,0,1]=4 95 B4R0.1 C[C@H](O)C=O C00424 [2,0,0,0,0,0|1,0,0]=3 96 B4R0.1 C[C@H](O)CO C02917 [2,0,0,0,0,0|1,0,1]=4 97 B4R0.1 O=CC(Cl)Cl C14858 [2,0,0,0,0,0|2,0,0]=4 98 B4R0.1 [*]C(O)C=O C01370 [2,0,0,0,0,0|2,0,0]=4 99 B4R0.1 [*]C(O)C=O C06461 [2,0,0,0,0,0|2,0,0]=4 100 B4R0.1 [*]CC([*])C C19505 [2,0,0,0,0,0|2,0,0]=4 101 B4R0.2 C#CCC=O C06145 [2,0,0,0,0,0|0,0,2]=4 102 B4R0.2 C=CCCN C12244 [2,0,0,0,0,0|1,0,1]=4 103 B4R0.2 CCC=S=O C08389 [2,0,0,0,0,0|1,0,1]=4 104 B4R0.2 CCCC=O C01412 [2,0,0,0,0,0|0,0,0]=2 105 B4R0.2 CCCCO C06142 [2,0,0,0,0,0|0,0,1]=3 106 B4R0.2 CCOCC C13240 [2,0,0,0,0,0|1,0,0]=3 107 B4R0.2 CCSCC C02272 [2,0,0,0,0,0|1,0,0]=3 108 B4R0.2 C\C=C\C=O C19377 [2,0,0,0,0,0|0,0,2]=4 109 B4R0.2 NCCC=O C05665 [2,0,0,0,0,0|1,0,0]=3 110 B4R0.2 NCCCN C00986 [2,0,0,0,0,0|2,0,0]=4 111 B4R0.2 O=CCC=O C19440 [2,0,0,0,0,0|1,0,1]=4 112 B4R0.2 O=CCCO C00969 [2,0,0,0,0,0|1,0,0]=3 113 B4R0.2 OCCCO C02457 [2,0,0,0,0,0|1,0,1]=4 114 B4R0.2 [*]CCC=O C00609 [2,0,0,0,0,0|1,0,0]=3 115 B6R0.2 CC(=O)CC(C)=O C15499 [1,1,0,0,0,0|0,0,2]=4 116 B6R0.2 CC(=O)CC(C)C C19263 [1,1,0,0,0,0|0,0,1]=3 117 B6R0.2 CC(C)CC(=O)O C08262 [1,1,0,0,0,0|1,0,1]=4 118 B6R0.2 CC(O)CC(N)=O C11109 [1,1,0,0,0,0|1,0,1]=4 119 B6R0.2 C[C@@H](O)CC(=O)O C01089 [1,1,0,0,0,0|1,0,1]=4 120 B6R0.2 C[C@H](O)CC(=O)O C03197 [1,1,0,0,0,0|1,0,1]=4 121 B6R0.3 CCC(C)C(=O)O C18319 [1,1,0,0,0,0|1,0,1]=4 122 B6R0.3 CC[C@@H](N)C(=O)O C02261 [1,1,0,0,0,0|1,0,1]=4 123 B6R0.3 CC[C@H](N)C(=O)O C02356 [1,1,0,0,0,0|1,0,1]=4 124 B6R0.3 CC[C@H](O)C(=O)O C05984 [1,1,0,0,0,0|1,0,1]=4 125 B6R0.4 CC(=O)SCCN C03537 [1,1,0,0,0,0|1,0,1]=4 126 B6R0.4 CC(C)CCC=O C02373 [1,1,0,0,0,0|0,0,2]=4 127 B6R0.4 CCCCC(=O)O C00803 [1,1,0,0,0,0|1,0,1]=4 128 B6R0.4 CCCCC(N)=O C01842 [1,1,0,0,0,0|1,0,1]=4 129 B6R0.4 CCCOC(N)=O C19514 [1,1,0,0,0,0|1,0,1]=4 130 B6R0.4 CCNCC(=O)O C11735 [1,1,0,0,0,0|1,0,1]=4 131 B6R0.4 CSCCC(=O)O C08276 [1,1,0,0,0,0|1,0,1]=4 132 B6R0.4 NCCCC(=O)O C00334 [1,1,0,0,0,0|1,0,1]=4 133 B6R0.4 O=C(O)CCCO C00989 [1,1,0,0,0,0|1,0,1]=4 134 B6R0.4 O=C(O)CCCO C01991 [1,1,0,0,0,0|1,0,1]=4 135 B6R0.4 O=C(O)CCCS C21736 [1,1,0,0,0,0|1,0,1]=4 136 B6R0.4 [*]CCNC(C)=O C15535 [1,1,0,0,0,0|1,0,1]=4 137 B6R0.5 CCOS(C)(=O)=O C19239 [1,1,0,0,0,0|2,0,0]=4 138 B6R0.6 CCCCCCN C08306 [1,1,0,0,0,0|1,0,1]=4 139 B6R0.6 CCCCOC=O C21713 [1,1,0,0,0,0|0,0,0]=2 140 B6R0.6 CCC\C=C\C=O C08497 [1,1,0,0,0,0|0,0,1]=3 141 B6R0.6 CC\C=C/CC=O C16310 [1,1,0,0,0,0|0,0,1]=3 142 B6R0.6 CNCCCC=O C10974 [1,1,0,0,0,0|0,0,0]=2 143 B6R0.6 CNCCCCN C02723 [1,1,0,0,0,0|1,0,1]=4 144 B6R0.6 NCCCCC=O C12455 [1,1,0,0,0,0|0,0,0]=2 145 B6R0.6 NCCCCCN C01672 [1,1,0,0,0,0|1,0,1]=4 146 B6R0.6 O=CCCCC=O C12518 [1,1,0,0,0,0|0,0,1]=3 147 B6R0.8 CC[C@@](C)(O)C#N C18796 [1,1,0,0,0,0|1,0,1]=4 148 B6R0.9 CCN(CC)N=O C14422 [1,1,0,0,0,0|2,0,0]=4 149 B6R0.9 C\C=C(/CC)CO C02893 [1,1,0,0,0,0|1,0,1]=4 150 B8R0.2 CC(=O)[C@@H](O)[C@H](O)CO C06257 [0,2,0,0,0,0|2,0,0]=4 151 B8R0.2 CCC(C)C(=O)C(=O)O C03465 [0,2,0,0,0,0|1,0,1]=4 152 B8R0.2 CCC(C)C(N)C(=O)O C16434 [0,2,0,0,0,0|1,0,0]=3 153 B8R0.2 CC[C@@H](C)C(=O)C(=O)O C06008 [0,2,0,0,0,0|1,0,1]=4 154 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O C06418 [0,2,0,0,0,0|1,0,0]=3 155 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O C21096 [0,2,0,0,0,0|1,0,0]=3 156 B8R0.2 CC[C@H](C)C(=O)C(=O)O C00671 [0,2,0,0,0,0|1,0,1]=4 157 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O C21092 [0,2,0,0,0,0|1,0,0]=3 158 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O C00407 [0,2,0,0,0,0|1,0,0]=3 159 B8R0.2 N[C@H](C(=O)O)[C@H](O)CF C15533 [0,2,0,0,0,0|2,0,0]=4 160 B8R0.2 N[C@H](C(=O)O)[C@H](O)CO C06056 [0,2,0,0,0,0|2,0,0]=4 161 B8R0.2 O=C(O)[C@@H](O)[C@H](O)CO C21649 [0,2,0,0,0,0|2,0,0]=4 162 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO C01620 [0,2,0,0,0,0|2,0,0]=4 163 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO C21593 [0,2,0,0,0,0|2,0,0]=4 164 B8R0.5 CCCC(=O)CC(=O)O C02122 [0,2,0,0,0,0|1,0,1]=4 165 B8R0.23 CC(=O)C[C@@H](N)C(=O)O C03341 [0,2,0,0,0,0|1,0,1]=4 166 B8R0.23 CC(C)CC(=O)C(=O)O C00233 [0,2,0,0,0,0|1,0,1]=4 167 B8R0.23 CC(C)CC(N)C(=O)O C16439 [0,2,0,0,0,0|1,0,0]=3 168 B8R0.23 CC(C)C[C@@H](N)C(=O)O C01570 [0,2,0,0,0,0|1,0,0]=3 169 B8R0.23 CC(C)C[C@@H](O)C(=O)O C03264 [0,2,0,0,0,0|1,0,0]=3 170 B8R0.23 CC(C)C[C@H](N)C(=O)O C00123 [0,2,0,0,0,0|1,0,0]=3 171 B8R0.23 CC(O)CC(=O)C(=O)O C03589 [0,2,0,0,0,0|1,0,1]=4 172 B8R0.23 C[C@H](N)C[C@@H](N)C(=O)O C03943 [0,2,0,0,0,0|1,0,0]=3 173 B8R0.23 C[Se](=O)C[C@H](N)C(=O)O C18905 [0,2,0,0,0,0|2,0,0]=4 174 B8R0.6 C=CC(O)CCCCC C14272 [0,2,0,0,0,0|2,0,0]=4 175 B8R0.8 CCCCC(=O)C(=O)O C00902 [0,2,0,0,0,0|1,0,1]=4 176 B8R0.8 CCCC[C@H](N)C(=O)O C01933 [0,2,0,0,0,0|1,0,0]=3 177 B8R0.8 CSCCC(=O)C(=O)O C01180 [0,2,0,0,0,0|1,0,1]=4 178 B8R0.8 CSCCC(N)C(=O)O C01733 [0,2,0,0,0,0|1,0,0]=3 179 B8R0.8 CSCC[C@@H](N)C(=O)O C00855 [0,2,0,0,0,0|1,0,0]=3 180 B8R0.8 CSCC[C@H](N)C(=O)O C00073 [0,2,0,0,0,0|1,0,0]=3 181 B8R0.8 C[Se]CC[C@H](N)C(=O)O C05335 [0,2,0,0,0,0|1,0,0]=3 182 B8R0.8 N#CCCC(N)C(=O)O C05717 [0,2,0,0,0,0|1,0,1]=4 183 B8R0.8 NCCCC(=O)C(=O)O C01110 [0,2,0,0,0,0|1,0,1]=4 184 B8R0.8 NCCCC(N)C(=O)O C01602 [0,2,0,0,0,0|1,0,0]=3 185 B8R0.8 NCCC[C@@H](N)C(=O)O C00515 [0,2,0,0,0,0|1,0,0]=3 186 B8R0.8 NCCC[C@@H](N)C(=O)O C11320 [0,2,0,0,0,0|1,0,0]=3 187 B8R0.8 NCCC[C@H](N)C(=O)O C00077 [0,2,0,0,0,0|1,0,0]=3 188 B8R0.8 NOCC[C@H](N)C(=O)O C08270 [0,2,0,0,0,0|2,0,0]=4 189 B8R0.8 N[C@@H](CCC=O)C(=O)O C01165 [0,2,0,0,0,0|1,0,1]=4 190 B8R0.9 N[C@H](C=O)CCC(=O)O C03741 [0,2,0,0,0,0|1,0,1]=4 191 B8R0.11 CCCCC(CC)CO C02498 [0,2,0,0,0,0|0,0,2]=4 192 B8R0.15 O=CCC(CO)C(=O)O C04106 [0,2,0,0,0,0|1,0,1]=4 193 B8R0.22 CCCN(CCC)N=O C19279 [0,2,0,0,0,0|2,0,0]=4 194 B6R1.2 CC1=NCCC1 C20808 [1,0,0,1,0,0|1,0,1]=4 195 B6R1.2 C[C@@H]1CCCN1 C20809 [1,0,0,1,0,0|1,0,0]=3 196 B6R1.2 C[N+]1=CCCC1 C06178 [1,0,0,1,0,0|1,0,0]=3 197 B6R1.2 O=C1CCCC1 C00557 [1,0,0,1,0,0|0,0,1]=3 198 B6R1.2 O=C1CCCO1 C01770 [1,0,0,1,0,0|1,0,1]=4 199 B6R1.2 OC1CCCC1 C02020 [1,0,0,1,0,0|0,0,1]=3 200 B6R1.5 CC1CC(=O)O1 C19201 [1,0,0,1,0,0|1,0,1]=4 201 B6R1.11 O=C(O)C1CC1 C16267 [1,0,0,1,0,0|1,0,1]=4 202 B6R1.1 C1=NCCCC1 C06181 [1,0,0,1,0,0|1,0,0]=3 203 B6R1.1 C1CCCCC1 C11249 [1,0,0,1,0,0|1,0,1]=4 204 B6R1.1 C1CCNCC1 C01746 [1,0,0,1,0,0|1,0,1]=4 205 B6R1.7 C=C[C@]1(C)CO1 C21373 [1,0,0,1,0,0|2,0,0]=4 206 B8R1.4 C[C@H]1CC=CC(=O)O1 C08502 [0,1,0,1,0,0|0,0,2]=4 207 B8R1.4 O=C1CCCC(=O)C1 C01066 [0,1,0,1,0,0|1,0,1]=4 208 B8R1.4 O=C1CCCC(=O)N1 C07275 [0,1,0,1,0,0|1,0,1]=4 209 B8R1.4 O=C1CCCC(O)C1 C03228 [0,1,0,1,0,0|1,0,0]=3 210 B8R1.2 C=CC1CC=CCC1 C19310 [0,1,0,1,0,0|1,0,1]=4 211 B8R1.2 O=NN1CCCCC1 C19284 [0,1,0,1,0,0|2,0,0]=4 212 B8R1.2 O=NN1CCOCC1 C19283 [0,1,0,1,0,0|2,0,0]=4 213 B8R1.2 [C-]#[N+]C1CCCCC1 C11520 [0,1,0,1,0,0|2,0,0]=4 214 B8R1.5 O=C1CCCCC1=O C06105 [0,1,0,1,0,0|1,0,1]=4 215 B8R1.5 O=C1CCCCC1O C01147 [0,1,0,1,0,0|1,0,0]=3 216 B8R1.7 NC(=O)[C@@H]1CCCN1 C19781 [0,1,0,1,0,0|1,0,0]=3 217 B8R1.7 O=C(O)C1=NCCC1 C03564 [0,1,0,1,0,0|1,0,1]=4 218 B8R1.7 O=C(O)C1CCC=N1 C04322 [0,1,0,1,0,0|1,0,1]=4 219 B8R1.7 O=C(O)C1CCCN1 C16435 [0,1,0,1,0,0|1,0,0]=3 220 B8R1.7 O=C(O)C1CCCS1 C11074 [0,1,0,1,0,0|1,0,0]=3 221 B8R1.7 O=C(O)C1CSSC1 C01892 [0,1,0,1,0,0|2,0,0]=4 222 B8R1.7 O=C(O)[C@@H]1CCCN1 C00148 [0,1,0,1,0,0|1,0,0]=3 223 B8R1.7 O=C(O)[C@H]1CCCN1 C00763 [0,1,0,1,0,0|1,0,0]=3 224 B8R1.7 [C@@H]1(C(=O)O)CCC=N1 C03912 [0,1,0,1,0,0|1,0,1]=4 225 B8R1.11 C=CN1CCCC1=O C19548 [0,1,0,1,0,0|1,0,1]=4