0 B8R1.3 Br[C@H]1CC[C@H](Br)CC1 AMY6604 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.3 CC1CCC(N)CC1 AM804167 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.3 CC1CNC(C)CN1 AM81374 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.3 CN1CCC(O)CC1 AM802881 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.3 CN1CCC(O)CC1 AMY37059 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.3 C[C@@H]1CC[C@@H](C)NC1 AM807027 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.3 C[C@@H]1CC[C@H](O)CN1 AM806519 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.3 C[C@@H]1CO[C@H](C)CN1 AMY21745 [0,0,0,0,0,0|3,1,0]=4 8 B8R1.3 C[C@H]1CC[C@@H](N)CC1 AMY202003228 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.3 C[C@H]1CC[C@H](O)CC1 AM9714 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.3 C[C@H]1CC[C@H](O)CN1 AM806517 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.3 C[C@H]1CC[C@H](O)CN1 AM806520 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.3 C[C@H]1CN[C@H](C)CN1 AM20090356 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.3 C[C@H]1CN[C@H](C)CO1 AMY202003216 [0,0,0,0,0,0|3,1,0]=4 14 B8R1.3 C[C@H]1CO[C@H](C)CN1 AMY202003196 [0,0,0,0,0,0|3,1,0]=4 15 B8R1.3 NC1CCC(Br)CC1 AM101779 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.3 NC1CCC(Cl)CC1 AM100935 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.3 NC1CCC(I)CC1 AM93472 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.3 NC1CCC(N)CC1 AM100652 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.3 NC1CCC(O)CC1 AMY6164 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.3 NN1CCC(O)CC1 AMY16127 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.3 N[C@H]1CC[C@@H](N)CC1 AMY37608 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.3 N[C@H]1CC[C@@H](O)CC1 AM62718 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.3 N[C@H]1CC[C@@H](O)CC1 AMY35196 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.3 N[C@H]1CC[C@H](N)CC1 AM20070543 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.3 N[C@H]1CC[C@H](O)CC1 AM20070547 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.3 N[C@H]1CC[C@H](O)CC1 AM20070555 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.3 O=C1CCC(O)CC1 AMY17986 [0,0,0,0,0,0|2,0,2]=4 28 B8R1.3 O=C1CC[C@H](O)CN1 AM84823 [0,0,0,0,0,0|2,0,2]=4 29 B8R1.3 OC1COC(O)CO1 AM20090246 [0,0,0,0,0,0|0,2,0]=2 30 B8R1.3 OC1CSC(O)CS1 AMY24076 [0,0,0,0,0,0|0,0,0]=0 31 B7R1.3 Br[C@H]1CCCNC1 AM100929 [1,0,0,0,0,0|3,0,0]=4 32 B7R1.3 Br[C@H]1CCCNC1 AM90468 [1,0,0,0,0,0|3,0,0]=4 33 B7R1.3 Br[C@H]1CCCOC1 AM20080215 [1,0,0,0,0,0|2,1,0]=4 34 B7R1.3 CC1SCCCS1 AMY24701 [1,0,0,0,0,0|3,0,0]=4 35 B7R1.3 C[C@@H]1CNCCO1 AMY11004 [1,0,0,0,0,0|2,1,0]=4 36 B7R1.3 C[C@@H]1COCCN1 AMY21764 [1,0,0,0,0,0|2,1,0]=4 37 B7R1.3 C[C@H]1CCCCN1 AM20080042 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.3 C[C@H]1CCCCN1 AM81342 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.3 C[C@H]1CCCNC1 AM86032 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.3 C[C@H]1CCCNC1 AM86033 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.3 C[C@H]1CCCNC1 AMY5569 [1,0,0,0,0,0|3,0,0]=4 42 B7R1.3 C[C@H]1CNCCN1 AM20080043 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.3 C[C@H]1CNCCN1 AM81347 [1,0,0,0,0,0|3,0,0]=4 44 B7R1.3 C[C@H]1CNCCN1 AM81348 [1,0,0,0,0,0|3,0,0]=4 45 B7R1.3 C[C@H]1CNCCO1 AM20090347 [1,0,0,0,0,0|2,1,0]=4 46 B7R1.3 C[C@H]1CNCCO1 AM85055 [1,0,0,0,0,0|2,1,0]=4 47 B7R1.3 C[C@H]1CNCCO1 AMY21629 [1,0,0,0,0,0|2,1,0]=4 48 B7R1.3 C[C@H]1CNCCO1 AMY9349 [1,0,0,0,0,0|2,1,0]=4 49 B7R1.3 C[C@H]1COCCN1 AM20100118 [1,0,0,0,0,0|2,1,0]=4 50 B7R1.3 C[C@H]1COCCN1 AM803755 [1,0,0,0,0,0|2,1,0]=4 51 B7R1.3 C[C@H]1COCCN1 AM804311 [1,0,0,0,0,0|2,1,0]=4 52 B7R1.3 C[C@H]1COCCN1 AM806455 [1,0,0,0,0,0|2,1,0]=4 53 B7R1.3 C[C@H]1COCCN1 AMY22799 [1,0,0,0,0,0|2,1,0]=4 54 B7R1.3 ClC1CCCCC1 AM90219 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.3 Cl[C@H]1CCCNC1 AM100260 [1,0,0,0,0,0|3,0,0]=4 56 B7R1.3 Cl[C@H]1CCCNC1 AM100889 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.3 Cl[C@H]1CCCNC1 AM95167 [1,0,0,0,0,0|3,0,0]=4 58 B7R1.3 Cl[C@H]1CCCNC1 AM96799 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.3 F[C@H]1CCCNC1 AM20080116 [1,0,0,0,0,0|3,0,0]=4 60 B7R1.3 NC1CCCCC1 AM802905 [1,0,0,0,0,0|3,0,0]=4 61 B7R1.3 N[C@@H]1CCCNC1 AMY258 [1,0,0,0,0,0|3,0,0]=4 62 B7R1.3 N[C@@H]1CNCCN1 AM81376 [1,0,0,0,0,0|3,0,0]=4 63 B7R1.3 N[C@H]1CCCNC1 AM20090507 [1,0,0,0,0,0|3,0,0]=4 64 B7R1.3 N[C@H]1CCCNC1 AM20090508 [1,0,0,0,0,0|3,0,0]=4 65 B7R1.3 N[C@H]1CCCNC1 AM81346 [1,0,0,0,0,0|3,0,0]=4 66 B7R1.3 N[C@H]1CCCNC1 AMY19293 [1,0,0,0,0,0|3,0,0]=4 67 B7R1.3 N[C@H]1CCCOC1 AM20080156 [1,0,0,0,0,0|2,1,0]=4 68 B7R1.3 N[C@H]1CCCOC1 AM20120527 [1,0,0,0,0,0|2,1,0]=4 69 B7R1.3 N[C@H]1CCCOC1 AMY34426 [1,0,0,0,0,0|2,1,0]=4 70 B7R1.3 N[C@H]1CCCOC1 AMY41756 [1,0,0,0,0,0|2,1,0]=4 71 B7R1.3 N[C@H]1CCCOC1 AMY5963 [1,0,0,0,0,0|2,1,0]=4 72 B7R1.3 O=C1CCCSC1 AM20090115 [1,0,0,0,0,0|1,0,2]=4 73 B7R1.3 O=C1CSCCN1 AMY10805 [1,0,0,0,0,0|1,0,2]=4 74 B7R1.3 OC1CCNCC1 AM20100322 [1,0,0,0,0,0|3,0,0]=4 75 B7R1.3 OC1CCNCC1 AMY24233 [1,0,0,0,0,0|3,0,0]=4 76 B7R1.3 OC1CCOCC1 AM20090170 [1,0,0,0,0,0|3,0,0]=4 77 B7R1.3 OC1CCSCC1 AMY37357 [1,0,0,0,0,0|3,0,0]=4 78 B7R1.3 O[C@@H]1C=CCCC1 AMY31935 [1,0,0,0,0,0|2,0,1]=4 79 B7R1.3 O[C@@H]1CCCOC1 AMY41582 [1,0,0,0,0,0|1,1,0]=3 80 B7R1.3 O[C@@H]1CNCCO1 AMY36691 [1,0,0,0,0,0|1,1,0]=3 81 B7R1.3 O[C@H]1CCCNC1 AM101043 [1,0,0,0,0,0|2,0,0]=3 82 B7R1.3 O[C@H]1CCCNC1 AM20090141 [1,0,0,0,0,0|2,0,0]=3 83 B7R1.3 O[C@H]1CCCNC1 AM20100189 [1,0,0,0,0,0|2,0,0]=3 84 B7R1.3 O[C@H]1CCCNC1 AM20100577 [1,0,0,0,0,0|2,0,0]=3 85 B7R1.3 O[C@H]1CCCNC1 AM20100636 [1,0,0,0,0,0|2,0,0]=3 86 B7R1.3 O[C@H]1CCCOC1 AM20090136 [1,0,0,0,0,0|1,1,0]=3 87 B7R1.3 SC1CCCCC1 AMY11243 [1,0,0,0,0,0|2,1,0]=4 88 B7R1.3 S[C@H]1CCCNC1 AMY35402 [1,0,0,0,0,0|2,1,0]=4 89 B9R1.1 CC1CCC(CO)CC1 AM9715 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.1 CNC1CCC(O)CC1 AMY18670 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 AMY34073 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.1 CN[C@H]1CC[C@H](O)CC1 AMY34313 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.1 COC1=CC[C@@H](O)CC1 AMY23663 [0,1,0,0,0,0|2,0,1]=4 94 B9R1.1 COC1CCC(N)CC1 AMY32258 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.1 COC1CCC(N)CC1 AMY32279 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.1 CO[C@H]1CC[C@H](N)CC1 AMY21463 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.1 CO[C@H]1CC[C@H](N)CC1 AMY3261 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.1 N#CC1CCC(O)CC1 AM20070474 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 AMY35195 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.1 NC[C@H]1CC[C@H](O)CC1 AMY34305 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.1 N[C@H]1CC[C@H](CO)CC1 AM84270 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.1 N[C@H]1CC[C@H](CO)CC1 AMY34311 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.1 OCC1CCC(O)CC1 AMY36580 [0,1,0,0,0,0|2,0,0]=3 104 B9R1.1 OC[C@H]1CC[C@H](O)CC1 AM9734 [0,1,0,0,0,0|2,0,0]=3 105 B9R1.10 CC1(C)CCC(O)CC1 AMY1256 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.10 CC1(O)CCC(N)CC1 AM803369 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.10 C[C@]1(O)CC[C@@H](N)CC1 AMY36950 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.10 C[C@]1(O)CC[C@@H](O)CC1 AMY35189 [0,1,0,0,0,0|2,0,0]=3 109 B9R1.10 OC1CCC(F)(F)CC1 AMY1245 [0,1,0,0,0,0|3,0,0]=4 110 B7R0.3 CCCC[C@H](O)CO AMY11157 [0,0,1,0,0,0|2,1,0]=4 111 B7R0.3 OCCC[C@H](O)CO AMY202100026 [0,0,1,0,0,0|1,1,0]=3 112 B9R2.49 C1CC2CNC1CO2 AMY34762 [0,0,0,1,0,0|3,0,0]=4 113 B7R1.2 CN1CC[C@@H](O)C1 AMY6896 [0,0,0,0,1,0|3,0,0]=4 114 B7R1.2 CN1CC[C@H](O)C1 AM20080233 [0,0,0,0,1,0|3,0,0]=4 115 B7R1.2 CN1CC[C@H](O)C1 AMY30559 [0,0,0,0,1,0|3,0,0]=4 116 B7R1.2 C[C@@H]1C[C@H](O)CN1 AMY19216 [0,0,0,0,1,0|2,0,0]=3 117 B7R1.2 C[C@H]1C[C@@H](N)CN1 AMY19213 [0,0,0,0,1,0|3,0,0]=4 118 B7R1.2 C[C@H]1C[C@@H](O)CN1 AMY19265 [0,0,0,0,1,0|2,0,0]=3 119 B7R1.2 C[C@H]1C[C@H](N)CN1 AMY19217 [0,0,0,0,1,0|3,0,0]=4 120 B7R1.2 C[C@H]1C[C@H](O)CN1 AMY19218 [0,0,0,0,1,0|2,0,0]=3 121 B7R1.2 NC1CCC(O)C1 AMY19619 [0,0,0,0,1,0|2,0,0]=3 122 B7R1.2 N[C@@H]1CC[C@@H](O)C1 AMY19602 [0,0,0,0,1,0|2,0,0]=3 123 B7R1.2 N[C@@H]1CC[C@H](O)C1 AM802861 [0,0,0,0,1,0|2,0,0]=3 124 B7R1.2 N[C@H]1CC[C@@H](F)C1 AMY34349 [0,0,0,0,1,0|3,0,0]=4 125 B7R1.2 N[C@H]1CC[C@@H](O)C1 AMY12396 [0,0,0,0,1,0|2,0,0]=3 126 B7R1.2 N[C@H]1CC[C@@H](O)C1 AMY12405 [0,0,0,0,1,0|2,0,0]=3 127 B7R1.2 N[C@H]1CC[C@H](O)C1 AM804591 [0,0,0,0,1,0|2,0,0]=3 128 B7R1.2 N[C@H]1CC[C@H](O)C1 AMY19540 [0,0,0,0,1,0|2,0,0]=3 129 B7R1.2 O=C1CC[C@H](O)C1 AMY33737 [0,0,0,0,1,0|1,0,2]=4 130 B7R1.2 O=C1C[C@H](O)CN1 AM20090229 [0,0,0,0,1,0|1,0,2]=4 131 B7R1.2 O=C1C[C@H](O)CN1 AM20100631 [0,0,0,0,1,0|1,0,2]=4 132 B7R1.2 O=C1C[C@H](O)CN1 AMY22949 [0,0,0,0,1,0|1,0,2]=4 133 B7R1.2 O=C1C[C@H](O)CO1 AMY4221 [0,0,0,0,1,0|0,1,2]=4 134 B7R1.2 OC1CCC(O)C1 AMY33501 [0,0,0,0,1,0|1,0,0]=2 135 B6R0.1 C[C@@H](CO)CCO AMY37668 [1,0,1,0,0,0|1,1,0]=4 136 B6R0.1 C[C@H](CO)CCO AMY37676 [1,0,1,0,0,0|1,1,0]=4 137 B6R0.1 OCC[C@H](O)CO AMY14876 [1,0,1,0,0,0|0,1,0]=3 138 B6R0.1 OCC[C@H](O)CO AMY6061 [1,0,1,0,0,0|0,1,0]=3 139 B6R0.4 CC(C)CCCO AMY39142 [1,0,1,0,0,0|2,0,0]=4 140 B6R0.4 CCSCC(=O)O AM20100532 [1,0,1,0,0,0|0,1,1]=4 141 B6R0.6 COCCCCO AM20080057 [1,0,1,0,0,0|1,1,0]=4 142 B6R0.6 NCCOCCO AMY18064 [1,0,1,0,0,0|1,1,0]=4 143 B6R0.6 OCCCCCBr AM20090543 [1,0,1,0,0,0|2,0,0]=4 144 B6R0.6 OCCOCCBr AMY4498 [1,0,1,0,0,0|1,1,0]=4 145 B6R0.6 OCCOCCCl AMY9387 [1,0,1,0,0,0|1,1,0]=4 146 B6R1.1 C1=CCSCC1 AMY37369 [2,0,0,0,0,0|1,0,1]=4 147 B6R1.1 C1CCCCC1 AMY11047 [2,0,0,0,0,0|2,0,0]=4 148 B6R1.1 C1CCNCC1 AMY40816 [2,0,0,0,0,0|2,0,0]=4 149 B6R1.1 C1CCOCC1 AMY8873 [2,0,0,0,0,0|1,1,0]=4 150 B6R1.1 C1COCCN1 AMY14878 [2,0,0,0,0,0|1,1,0]=4 151 B6R1.1 C1COCCN1 AMY22834 [2,0,0,0,0,0|1,1,0]=4 152 B6R1.1 C1COCCN1 AMY721 [2,0,0,0,0,0|1,1,0]=4 153 B6R1.1 C1COCCO1 AMY33329 [2,0,0,0,0,0|0,2,0]=4 154 B6R1.1 C1CSCCN1 AM807014 [2,0,0,0,0,0|1,0,0]=3 155 B6R1.1 C1CSCCO1 AMY25585 [2,0,0,0,0,0|0,1,0]=3 156 B8R1.2 CO[C@H]1CCCNC1 AM101090 [1,1,0,0,0,0|2,0,0]=4 157 B8R1.2 CO[C@H]1CCCNC1 AM101144 [1,1,0,0,0,0|2,0,0]=4 158 B8R1.2 CO[C@H]1CCCNC1 AM101293 [1,1,0,0,0,0|2,0,0]=4 159 B8R1.2 CO[C@H]1CCCNC1 AM10535 [1,1,0,0,0,0|2,0,0]=4 160 B8R1.2 CO[C@H]1CCCNC1 AM20100081 [1,1,0,0,0,0|2,0,0]=4 161 B8R1.2 NOC1CCCCC1 AMY27644 [1,1,0,0,0,0|2,0,0]=4 162 B8R1.2 NO[C@@H]1CCCCO1 AM20100619 [1,1,0,0,0,0|1,1,0]=4 163 B8R1.2 OCC1CCCCC1 AM20070443 [1,1,0,0,0,0|2,0,0]=4 164 B8R1.2 OC[C@@H]1CNCCO1 AMY21380 [1,1,0,0,0,0|1,1,0]=4 165 B8R1.2 OC[C@@H]1CNCCO1 AMY21771 [1,1,0,0,0,0|1,1,0]=4 166 B8R1.2 OC[C@@H]1COCCN1 AMY1881 [1,1,0,0,0,0|1,1,0]=4 167 B8R1.2 OC[C@@H]1COCCN1 AMY2068 [1,1,0,0,0,0|1,1,0]=4 168 B8R1.2 OC[C@H]1CCCCN1 AM20090530 [1,1,0,0,0,0|2,0,0]=4 169 B8R1.2 OC[C@H]1CCCCO1 AMY15433 [1,1,0,0,0,0|1,1,0]=4 170 B8R1.2 OC[C@H]1CCCNC1 AM100839 [1,1,0,0,0,0|2,0,0]=4 171 B8R1.2 OC[C@H]1CCCOC1 AM20080365 [1,1,0,0,0,0|1,1,0]=4 172 B8R1.2 OC[C@H]1CNCCN1 AM81378 [1,1,0,0,0,0|2,0,0]=4 173 B8R1.2 OC[C@H]1CNCCN1 AMY14670 [1,1,0,0,0,0|2,0,0]=4 174 B8R1.2 OC[C@H]1CNCCO1 AM20080410 [1,1,0,0,0,0|1,1,0]=4 175 B8R1.2 OC[C@H]1CNCCO1 AM802856 [1,1,0,0,0,0|1,1,0]=4 176 B8R1.2 OC[C@H]1CNCCO1 AMY21776 [1,1,0,0,0,0|1,1,0]=4 177 B8R1.2 OC[C@H]1CNCCO1 AMY25031 [1,1,0,0,0,0|1,1,0]=4 178 B8R1.2 OC[C@H]1COCCN1 AM20080017 [1,1,0,0,0,0|1,1,0]=4 179 B8R1.2 OC[C@H]1COCCN1 AMY1905 [1,1,0,0,0,0|1,1,0]=4 180 B8R1.2 OC[C@H]1COCCN1 AMY22661 [1,1,0,0,0,0|1,1,0]=4 181 B8R1.2 OC[C@H]1COCCN1 AMY25047 [1,1,0,0,0,0|1,1,0]=4 182 B8R1.2 OC[C@H]1COCCO1 AMY6751 [1,1,0,0,0,0|0,2,0]=4 183 B8R1.4 CN1CCC[C@H](O)C1 AM100623 [1,1,0,0,0,0|2,0,0]=4 184 B8R1.4 CN1CCC[C@H](O)C1 AM101042 [1,1,0,0,0,0|2,0,0]=4 185 B8R1.4 NC1CCCC(O)C1 AM20070553 [1,1,0,0,0,0|2,0,0]=4 186 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 AMY35651 [1,1,0,0,0,0|2,0,0]=4 187 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AM90249 [1,1,0,0,0,0|2,0,0]=4 188 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AM90265 [1,1,0,0,0,0|2,0,0]=4 189 B8R1.4 N[C@H]1CCC[C@@H](O)C1 AMY37601 [1,1,0,0,0,0|2,0,0]=4 190 B8R1.4 N[C@H]1CCC[C@H](O)C1 AM90267 [1,1,0,0,0,0|2,0,0]=4 191 B8R1.4 N[C@H]1CCC[C@H](O)C1 AM90268 [1,1,0,0,0,0|2,0,0]=4 192 B8R1.5 NC1CCCCC1O AMY1039 [1,1,0,0,0,0|2,0,0]=4 193 B8R1.5 N[C@@H]1CCCC[C@@H]1O AM62785 [1,1,0,0,0,0|2,0,0]=4 194 B8R1.5 N[C@@H]1CCCC[C@@H]1O AM62786 [1,1,0,0,0,0|2,0,0]=4 195 B8R1.5 N[C@@H]1CCOC[C@@H]1O AMY35197 [1,1,0,0,0,0|1,1,0]=4 196 B8R1.5 N[C@@H]1CCOC[C@H]1O AMY16937 [1,1,0,0,0,0|1,1,0]=4 197 B8R1.5 N[C@@H]1CCOC[C@H]1O AMY16938 [1,1,0,0,0,0|1,1,0]=4 198 B8R1.5 N[C@H]1CCCC[C@@H]1O AM20070541 [1,1,0,0,0,0|2,0,0]=4 199 B8R1.5 N[C@H]1CCCC[C@@H]1O AM20070542 [1,1,0,0,0,0|2,0,0]=4 200 B8R1.5 N[C@H]1CCCC[C@@H]1O AM62775 [1,1,0,0,0,0|2,0,0]=4 201 B8R1.5 N[C@H]1CCCC[C@@H]1O AM62781 [1,1,0,0,0,0|2,0,0]=4 202 B8R1.5 N[C@H]1CCCC[C@H]1O AMY18313 [1,1,0,0,0,0|2,0,0]=4 203 B8R1.5 N[C@H]1CCOC[C@@H]1O AMY16939 [1,1,0,0,0,0|1,1,0]=4 204 B8R1.5 N[C@H]1CCOC[C@@H]1O AMY16940 [1,1,0,0,0,0|1,1,0]=4 205 B8R1.5 N[C@H]1CCOC[C@H]1O AMY35749 [1,1,0,0,0,0|1,1,0]=4 206 B8R1.5 OC1CCNCC1O AMY19280 [1,1,0,0,0,0|2,0,0]=4 207 B8R1.5 O[C@H]1CCCC[C@@H]1O AM9724 [1,1,0,0,0,0|2,0,0]=4 208 B8R1.5 O[C@H]1CNCC[C@H]1O AMY34059 [1,1,0,0,0,0|2,0,0]=4 209 B8R1.72 CC1(O)CCCCC1 AMY25717 [1,1,0,0,0,0|2,0,0]=4 210 B8R1.72 C[C@]1(O)CCCNC1 AM20100188 [1,1,0,0,0,0|2,0,0]=4 211 B8R1.1 CC1CC(CO)CN1 AM806518 [0,1,0,0,1,0|2,0,0]=4 212 B8R1.1 OC[C@@H]1C[C@@H](F)CN1 AMY202003270 [0,1,0,0,1,0|2,0,0]=4 213 B8R1.1 OC[C@@H]1C[C@H](F)CN1 AMY13628 [0,1,0,0,1,0|2,0,0]=4 214 B8R1.1 OC[C@@H]1C[C@H](F)CN1 AMY202003269 [0,1,0,0,1,0|2,0,0]=4 215 B8R1.1 OC[C@H]1C[C@H](F)CN1 AMY202003253 [0,1,0,0,1,0|2,0,0]=4 216 B8R1.50 C[C@@H]1NC[C@H](O)[C@H]1O AMY19209 [0,1,0,0,1,0|2,0,0]=4 217 B10R1.3 OCC1CCC(CO)CC1 AM84323 [0,2,0,0,0,0|2,0,0]=4 218 B10R1.3 OCC1CSC(CO)CS1 AMY23408 [0,2,0,0,0,0|0,0,0]=2 219 B10R1.3 OC[C@H]1CC[C@H](CO)CC1 AMY698 [0,2,0,0,0,0|2,0,0]=4 220 B10R1.3 SCC1CSC(CS)CS1 AMY23159 [0,2,0,0,0,0|0,2,0]=4 221 B10R1.13 O=C(O)C1CCC(O)CC1 AM9676 [0,2,0,0,0,0|2,0,0]=4 222 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 AM9561 [0,2,0,0,0,0|2,0,0]=4 223 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 AMY202003234 [0,2,0,0,0,0|2,0,0]=4 224 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 AMY34072 [0,2,0,0,0,0|2,0,0]=4 225 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 AM9679 [0,2,0,0,0,0|2,0,0]=4 226 B8R2.18 OC1CC2CC2C1 AMY26501 [1,0,0,1,0,0|2,0,0]=4 227 B8R2.23 C1NCC2CC1O2 AM10861 [1,0,0,1,0,0|2,0,0]=4 228 B8R2.23 C1NCC2CC1O2 AMY12205 [1,0,0,1,0,0|2,0,0]=4 229 B8R2.25 C1CC2OC2CO1 AMY11235 [1,0,0,1,0,0|1,1,0]=4 230 B6R0.2 C[C@@H](O)CC(=O)O AMY24176 [0,0,1,0,1,0|0,1,1]=4 231 B6R0.2 C[C@H](O)CC(=O)O AMY10050 [0,0,1,0,1,0|0,1,1]=4 232 B6R0.2 C[C@H](O)CC(=O)O AMY24175 [0,0,1,0,1,0|0,1,1]=4 233 B6R1.2 BrC1CCCC1 AM20080273 [1,0,0,0,1,0|2,0,0]=4 234 B6R1.2 Br[C@H]1CCNC1 AM101739 [1,0,0,0,1,0|2,0,0]=4 235 B6R1.2 Br[C@H]1CCNC1 AM101740 [1,0,0,0,1,0|2,0,0]=4 236 B6R1.2 Br[C@H]1CCNC1 AM101781 [1,0,0,0,1,0|2,0,0]=4 237 B6R1.2 Br[C@H]1CCNC1 AM91615 [1,0,0,0,1,0|2,0,0]=4 238 B6R1.2 Br[C@H]1CCNC1 AM96305 [1,0,0,0,1,0|2,0,0]=4 239 B6R1.2 Br[C@H]1CCNC1 AM96372 [1,0,0,0,1,0|2,0,0]=4 240 B6R1.2 Br[C@H]1CCOC1 AM20090126 [1,0,0,0,1,0|1,1,0]=4 241 B6R1.2 CC1CCCC1 AMY21930 [1,0,0,0,1,0|2,0,0]=4 242 B6R1.2 C[C@@H]1CCNC1 AMY37511 [1,0,0,0,1,0|2,0,0]=4 243 B6R1.2 C[C@H]1CCCN1 AM20080260 [1,0,0,0,1,0|2,0,0]=4 244 B6R1.2 C[C@H]1CCCN1 AM20090040 [1,0,0,0,1,0|2,0,0]=4 245 B6R1.2 C[C@H]1CCCN1 AM20100102 [1,0,0,0,1,0|2,0,0]=4 246 B6R1.2 C[C@H]1CCCN1 AM20100445 [1,0,0,0,1,0|2,0,0]=4 247 B6R1.2 C[C@H]1CCCN1 AM20100751 [1,0,0,0,1,0|2,0,0]=4 248 B6R1.2 C[C@H]1CCCO1 AM81816 [1,0,0,0,1,0|1,1,0]=4 249 B6R1.2 C[C@H]1CCNC1 AM803039 [1,0,0,0,1,0|2,0,0]=4 250 B6R1.2 C[C@H]1CCNC1 AM803735 [1,0,0,0,1,0|2,0,0]=4 251 B6R1.2 C[C@H]1CCNC1 AMY37562 [1,0,0,0,1,0|2,0,0]=4 252 B6R1.2 ClC1CCCC1 AMY22306 [1,0,0,0,1,0|2,0,0]=4 253 B6R1.2 Cl[C@H]1CCNC1 AM90551 [1,0,0,0,1,0|2,0,0]=4 254 B6R1.2 Cl[C@H]1CCNC1 AM90553 [1,0,0,0,1,0|2,0,0]=4 255 B6R1.2 Cl[C@H]1CCNC1 AM90576 [1,0,0,0,1,0|2,0,0]=4 256 B6R1.2 Cl[C@H]1CCNC1 AM90577 [1,0,0,0,1,0|2,0,0]=4 257 B6R1.2 Cl[C@H]1CCNC1 AM91617 [1,0,0,0,1,0|2,0,0]=4 258 B6R1.2 Cl[C@H]1CCNC1 AM96290 [1,0,0,0,1,0|2,0,0]=4 259 B6R1.2 Cl[C@H]1CCOC1 AM100455 [1,0,0,0,1,0|1,1,0]=4 260 B6R1.2 F[C@H]1CCNC1 AM20080115 [1,0,0,0,1,0|2,0,0]=4 261 B6R1.2 F[C@H]1CCNC1 AM20080270 [1,0,0,0,1,0|2,0,0]=4 262 B6R1.2 F[C@H]1CCNC1 AM20080271 [1,0,0,0,1,0|2,0,0]=4 263 B6R1.2 F[C@H]1CCNC1 AM20090020 [1,0,0,0,1,0|2,0,0]=4 264 B6R1.2 F[C@H]1CCNC1 AMY41754 [1,0,0,0,1,0|2,0,0]=4 265 B6R1.2 IC1CCCC1 AMY3844 [1,0,0,0,1,0|2,0,0]=4 266 B6R1.2 I[C@H]1CCNC1 AM91594 [1,0,0,0,1,0|2,0,0]=4 267 B6R1.2 I[C@H]1CCNC1 AM91619 [1,0,0,0,1,0|2,0,0]=4 268 B6R1.2 I[C@H]1CCNC1 AM91621 [1,0,0,0,1,0|2,0,0]=4 269 B6R1.2 I[C@H]1CCNC1 AM92136 [1,0,0,0,1,0|2,0,0]=4 270 B6R1.2 I[C@H]1CCNC1 AM95453 [1,0,0,0,1,0|2,0,0]=4 271 B6R1.2 I[C@H]1CCNC1 AM96429 [1,0,0,0,1,0|2,0,0]=4 272 B6R1.2 I[C@H]1CCOC1 AM20080159 [1,0,0,0,1,0|1,1,0]=4 273 B6R1.2 NC1CCCC1 AMY3757 [1,0,0,0,1,0|2,0,0]=4 274 B6R1.2 N[C@@H]1CCCN1 AMY9118 [1,0,0,0,1,0|2,0,0]=4 275 B6R1.2 N[C@H]1CCNC1 AM81992 [1,0,0,0,1,0|2,0,0]=4 276 B6R1.2 N[C@H]1CCNC1 AM81993 [1,0,0,0,1,0|2,0,0]=4 277 B6R1.2 N[C@H]1CCNC1 AM85320 [1,0,0,0,1,0|2,0,0]=4 278 B6R1.2 N[C@H]1CCOC1 AM20080063 [1,0,0,0,1,0|1,1,0]=4 279 B6R1.2 N[C@H]1CCOC1 AM20120276 [1,0,0,0,1,0|1,1,0]=4 280 B6R1.2 N[C@H]1CCOC1 AM62692 [1,0,0,0,1,0|1,1,0]=4 281 B6R1.2 N[C@H]1CCOC1 AMY4352 [1,0,0,0,1,0|1,1,0]=4 282 B6R1.2 N[C@H]1CCOC1 AMY5964 [1,0,0,0,1,0|1,1,0]=4 283 B6R1.2 O=C1CCSC1 AMY23378 [1,0,0,0,1,0|0,0,2]=4 284 B6R1.2 OC1CC=CC1 AMY9178 [1,0,0,0,1,0|1,0,1]=4 285 B6R1.2 OC1CCCC1 AMY3616 [1,0,0,0,1,0|1,0,0]=3 286 B6R1.2 O[C@@H]1CCCO1 AMY20193 [1,0,0,0,1,0|0,1,0]=3 287 B6R1.2 O[C@@H]1CCNO1 AMY37646 [1,0,0,0,1,0|1,1,0]=4 288 B6R1.2 O[C@H]1CCNC1 AM20070695 [1,0,0,0,1,0|1,0,0]=3 289 B6R1.2 O[C@H]1CCNC1 AM20080166 [1,0,0,0,1,0|1,0,0]=3 290 B6R1.2 O[C@H]1CCNC1 AM20090354 [1,0,0,0,1,0|1,0,0]=3 291 B6R1.2 O[C@H]1CCNC1 AM20100082 [1,0,0,0,1,0|1,0,0]=3 292 B6R1.2 O[C@H]1CCNC1 AM90404 [1,0,0,0,1,0|1,0,0]=3 293 B6R1.2 O[C@H]1CCNO1 AMY37647 [1,0,0,0,1,0|1,1,0]=4 294 B6R1.2 O[C@H]1CCOC1 AM20100156 [1,0,0,0,1,0|0,1,0]=3 295 B6R1.2 O[C@H]1CCOC1 AM20110236 [1,0,0,0,1,0|0,1,0]=3 296 B6R1.2 O[C@H]1CCOC1 AM20110237 [1,0,0,0,1,0|0,1,0]=3 297 B6R1.2 O[C@H]1CCSC1 AM20090505 [1,0,0,0,1,0|0,0,0]=2 298 B6R1.2 S[C@H]1CCOC1 AM101772 [1,0,0,0,1,0|0,2,0]=4 299 B6R1.5 CN1CC(O)C1 AM802928 [0,0,0,0,2,0|2,0,0]=4 300 B6R1.5 CN1CC(O)C1 AMY9067 [0,0,0,0,2,0|2,0,0]=4 301 B6R1.5 NC1CC(F)C1 AMY6159 [0,0,0,0,2,0|2,0,0]=4 302 B6R1.5 NC1CC(N)C1 AM85963 [0,0,0,0,2,0|2,0,0]=4 303 B6R1.5 NC1CC(O)C1 AM20070560 [0,0,0,0,2,0|1,0,0]=3 304 B6R1.5 NC1CC(O)C1 AM20070615 [0,0,0,0,2,0|1,0,0]=3 305 B6R1.5 N[C@H]1C[C@@H](F)C1 AMY34065 [0,0,0,0,2,0|2,0,0]=4 306 B6R1.5 N[C@H]1C[C@@H](N)C1 AMY34052 [0,0,0,0,2,0|2,0,0]=4 307 B6R1.5 N[C@H]1C[C@@H](O)C1 AM807002 [0,0,0,0,2,0|1,0,0]=3 308 B6R1.5 N[C@H]1C[C@H](F)C1 AMY34300 [0,0,0,0,2,0|2,0,0]=4 309 B6R1.5 N[C@H]1C[C@H](O)C1 AM807001 [0,0,0,0,2,0|1,0,0]=3 310 B6R1.5 N[C@H]1C[C@H](O)C1 AMY11818 [0,0,0,0,2,0|1,0,0]=3 311 B6R1.5 O=C1CC(O)C1 AMY33736 [0,0,0,0,2,0|0,0,2]=4 312 B6R1.5 OC1CC(F)C1 AMY33730 [0,0,0,0,2,0|1,0,0]=3 313 B6R1.5 O[C@H]1C[C@H](F)C1 AMY34301 [0,0,0,0,2,0|1,0,0]=3 314 B8R0.28 CC(O)CNCC(C)O AMY25531 [0,0,1,0,0,1|2,0,0]=4 315 B10R1.79 O[C@H]1CCC[C@@H](O)CCC1 AMY15512 [0,0,0,0,0,2|2,0,0]=4