0 B8R1.1 C1=CC(=O)OC1CO PI-27913 [0,0,0,0,0,0|1,0,2]=3 1 B8R1.1 C1C(OC(=O)N1)CCl PI-47082 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.1 C1CC(=O)NC1CO PI-35695 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.1 C=CC1CCC(=O)N1 PI-36755 [0,0,0,0,0,0|1,0,2]=3 4 B8R1.1 C=CC1CNC(=S)O1 PI-39624 [0,0,0,0,0,0|1,1,2]=4 5 B8R1.1 CCC1COC(=O)O1 PI-50185 [0,0,0,0,0,0|1,0,0]=1 6 B8R1.1 CN1CCC(C1)CN PI-23405 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.1 CN1CC[C@H](C1)CO PI-48162 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.1 COC1=CC(=O)NC1 PI-13575 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.1 COC1=CC(=O)OC1 PI-27853 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.1 OC1CN(CC)CC1 PI-40304 [0,0,0,0,0,0|2,0,2]=4 11 B8R1.1 OC[C@@H]1CCC(=O)N1 PI-35779 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.1 OC[C@@H]1CCC(=O)O1 PI-27485 [0,0,0,0,0,0|1,0,0]=1 13 B7R1.1 C1CC(NC1)CN PI-35678 [1,0,0,0,0,0|2,0,1]=4 14 B7R1.1 C1CC(OC1)CBr PI-30089 [1,0,0,0,0,0|1,0,1]=3 15 B7R1.1 C1CCC(C1)CO PI-44131 [1,0,0,0,0,0|2,0,1]=4 16 B7R1.1 C1CNCC1CO PI-40189 [1,0,0,0,0,0|3,0,0]=4 17 B7R1.1 C1CNCC1CO PI-40190 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.1 C1COCC1CBr PI-42703 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.1 C1COCC1CCl PI-42702 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.1 C1COCC1CO PI-41224 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.1 CCN1CCCC1 PI-47092 [1,0,0,0,0,0|2,0,1]=4 22 B7R1.1 COC1OCCO1 PI-47112 [1,0,0,0,0,0|2,0,1]=4 23 B7R1.1 ICC1COCC1 PI-42704 [1,0,0,0,0,0|3,0,0]=4 24 B7R1.1 OCC1CC=CC1 PI-35499 [1,0,0,0,0,0|2,0,1]=4 25 B7R1.1 OC[C@@H]1CCCN1 PI-16636 [1,0,0,0,0,0|2,0,1]=4 26 B7R1.1 OC[C@H]1CCCN1 PI-16475 [1,0,0,0,0,0|2,0,1]=4 27 B7R1.2 C1C(CNC1=O)N PI-35851 [1,0,0,0,0,0|3,0,0]=4 28 B7R1.2 C1C(COC1=O)O PI-28663 [1,0,0,0,0,0|3,0,0]=4 29 B7R1.2 CC1CCC(C1)O PI-44641 [1,0,0,0,0,0|1,0,2]=4 30 B7R1.2 CC1COC(=O)N1 PI-35869 [1,0,0,0,0,0|2,0,0]=3 31 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [1,0,0,0,0,0|0,0,0]=1 32 B7R1.2 C[C@@H]1COC(=O)O1 PI-12235 [1,0,0,0,0,0|1,0,0]=2 33 B7R1.2 C[C@H]1COC(=O)N1 PI-35870 [1,0,0,0,0,0|2,0,0]=3 34 B7R1.2 C[C@H]1COC(=O)O1 PI-12953 [1,0,0,0,0,0|1,0,0]=2 35 B7R1.2 O=C1NCC(=O)O1 PI-37627 [1,0,0,0,0,0|2,0,1]=4 36 B7R1.2 O=C1OCC(O)C1 PI-12958 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.2 OC1CC(=O)NC1 PI-39044 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.2 O[C@@H]1CC(=O)NC1 PI-15469 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.2 O[C@H]1CC(=O)NC1 PI-15470 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.2 O[C@H]1CC(=O)OC1 PI-28789 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.7 CCCC1CC(=O)OC1 PI-44369 [0,1,0,0,0,0|2,0,0]=3 42 B9R1.21 CCC1=CC=C(O1)C=O PI-17705 [0,1,0,0,0,0|0,0,3]=4 43 B9R1.21 COC1CCC(O1)OC PI-34102 [0,1,0,0,0,0|1,0,2]=4 44 B9R1.21 OC[C@@H]1CC[C@@H](O1)CO PI-38384 [0,1,0,0,0,0|1,0,2]=4 45 B9R1.22 CCC1C(=O)NC(=O)N1 PI-25192 [0,1,0,0,0,0|2,0,1]=4 46 B9R1.22 OC[C@@H]1OC(O)C[C@H]1O PI-11363 [0,1,0,0,0,0|1,0,2]=4 47 B9R1.35 C1CC(=O)NC1C(=O)O PI-10056 [0,1,0,0,0,0|2,0,1]=4 48 B9R1.35 CC(C)C1=NNC(=O)O1 PI-49024 [0,1,0,0,0,0|2,0,1]=4 49 B9R1.35 CC(C)C1COC(=O)N1 PI-10341 [0,1,0,0,0,0|2,0,0]=3 50 B9R1.35 CC(C)C1COC(=O)N1 PI-10342 [0,1,0,0,0,0|2,0,0]=3 51 B9R1.35 CC(C)C1COC(=S)N1 PI-16643 [0,1,0,0,0,0|2,1,0]=4 52 B9R1.35 CC(C)C1COC(=S)N1 PI-42032 [0,1,0,0,0,0|2,1,0]=4 53 B9R1.35 CC(C)C1CSC(=S)N1 PI-16638 [0,1,0,0,0,0|2,1,0]=4 54 B9R1.35 O=C1CCC(C1)C(=O)O PI-34867 [0,1,0,0,0,0|2,0,1]=4 55 B9R1.35 O=C1CC[C@H](N1)C(=O)O PI-33313 [0,1,0,0,0,0|2,0,1]=4 56 B9R1.35 O=C1CC[C@H](O1)C(=O)O PI-39065 [0,1,0,0,0,0|1,0,1]=3 57 B9R1.35 S=C1SC[C@@H](N1)C(C)C PI-16637 [0,1,0,0,0,0|2,1,0]=4 58 B9R1.132 CCC1=C(C(=O)CC1)O PI-47191 [0,1,0,0,0,0|1,0,1]=3 59 B7R0.2 CCC(C)NC(=O)N PI-19842 [0,0,1,0,0,0|2,0,0]=3 60 B7R0.2 NC(C)CC(C)CC PI-36995 [0,0,1,0,0,0|2,0,1]=4 61 B7R0.3 CCCCC(=O)NN PI-50263 [0,0,1,0,0,0|3,0,0]=4 62 B7R0.3 COC(=O)CCC=O PI-48276 [0,0,1,0,0,0|1,0,2]=4 63 B7R0.3 COC(=O)CCCBr PI-44980 [0,0,1,0,0,0|3,0,0]=4 64 B7R0.3 COC(=O)CCCN PI-42165 [0,0,1,0,0,0|3,0,0]=4 65 B7R0.3 COC(=O)CCSC PI-45979 [0,0,1,0,0,0|3,0,0]=4 66 B7R0.3 O=C(OC)CCNC PI-40057 [0,0,1,0,0,0|3,0,0]=4 67 B7R0.4 BrCCCCC(=O)Cl PI-15616 [0,0,1,0,0,0|2,0,0]=3 68 B7R0.4 BrCCCCC(=O)O PI-11341 [0,0,1,0,0,0|1,0,0]=2 69 B7R0.4 C#CCCCC(O)=O PI-37286 [0,0,1,0,0,0|0,0,2]=3 70 B7R0.4 C(CCBr)CC(=O)[O-] PI-41801 [0,0,1,0,0,0|1,0,1]=3 71 B7R0.4 C(CCCl)CC(=O)Cl PI-44721 [0,0,1,0,0,0|2,0,0]=3 72 B7R0.4 C(CNCC(=O)O)N PI-47160 [0,0,1,0,0,0|2,0,0]=3 73 B7R0.4 CC(=O)CCCCCl PI-28023 [0,0,1,0,0,0|2,0,0]=3 74 B7R0.4 CCCCCB(O)O PI-37261 [0,0,1,0,0,0|1,0,1]=3 75 B7R0.4 CCCCC[C@@H](C)O PI-49829 [0,0,1,0,0,0|1,0,1]=3 76 B7R0.4 CCCCNC(=S)N PI-23056 [0,0,1,0,0,0|2,1,0]=4 77 B7R0.4 CCCCOC(=S)[S-] PI-47064 [0,0,1,0,0,0|1,2,0]=4 78 B7R0.4 CCCOCC(=O)O PI-32592 [0,0,1,0,0,0|1,0,0]=2 79 B7R0.4 CCO\C=C\C(=O)O PI-41236 [0,0,1,0,0,0|1,0,2]=4 80 B7R0.4 COCCOC(=O)C PI-12910 [0,0,1,0,0,0|3,0,0]=4 81 B7R0.4 NCCCCC(=O)O PI-30804 [0,0,1,0,0,0|1,0,0]=2 82 B7R0.4 O=C(O)CNCC=C PI-37297 [0,0,1,0,0,0|1,0,2]=4 83 B7R0.4 OC(=O)CCCCN PI-40783 [0,0,1,0,0,0|1,0,0]=2 84 B9R2.39 C1C2C=CC1NC2=O PI-12433 [0,0,0,1,0,0|1,0,2]=4 85 B9R2.39 C1CC2CC1CC2O PI-47124 [0,0,0,1,0,0|1,0,2]=4 86 B9R2.39 C1[C@@H]2C=C[C@H]1NC2=O PI-12431 [0,0,0,1,0,0|1,0,2]=4 87 B9R2.39 O=C1N[C@@H]2C=C[C@H]1C2 PI-12432 [0,0,0,1,0,0|1,0,2]=4 88 B7R1.10 O=C1CC(OC)C1 PI-46660 [0,0,0,0,1,0|2,0,0]=3 89 B9R1.1 CCC1CCC(=O)CC1 PI-36670 [0,0,0,0,0,1|1,0,0]=2 90 B9R1.1 CCN1CCC(=O)CC1 PI-14889 [0,0,0,0,0,1|2,0,0]=3 91 B9R1.1 COC1CCC(CC1)=O PI-40302 [0,0,0,0,0,1|2,0,0]=3 92 B9R1.1 O=C1CCC(CO)CC1 PI-41917 [0,0,0,0,0,1|2,0,0]=3 93 B9R1.1 O=CC1CCC(CC1)=O PI-36571 [0,0,0,0,0,1|2,0,1]=4 94 B6R0.1 C(CBr)C(CO)O PI-40398 [1,0,1,0,0,0|2,0,0]=4 95 B6R0.1 C(CO)C(CO)O PI-28525 [1,0,1,0,0,0|1,0,1]=4 96 B6R0.1 C(CO)C(CO)O PI-28767 [1,0,1,0,0,0|1,0,1]=4 97 B6R0.1 C(CO)C(CO)O PI-44643 [1,0,1,0,0,0|1,0,1]=4 98 B6R0.1 CC(CC=O)SC PI-48524 [1,0,1,0,0,0|2,0,0]=4 99 B6R0.1 CCCC(=O)NN PI-23070 [1,0,1,0,0,0|2,0,0]=4 100 B6R0.1 CCCC(=O)SC PI-48512 [1,0,1,0,0,0|1,0,0]=3 101 B6R0.1 CCCC(CC)Cl PI-46859 [1,0,1,0,0,0|1,0,1]=4 102 B6R0.1 CCCC(CO)O PI-13556 [1,0,1,0,0,0|1,0,1]=4 103 B6R0.1 CCOC(=O)C#C PI-35147 [1,0,1,0,0,0|0,0,2]=4 104 B6R0.1 CCOC(=O)CBr PI-15815 [1,0,1,0,0,0|1,0,0]=3 105 B6R0.1 CCOC(=O)NC PI-50343 [1,0,1,0,0,0|1,0,0]=3 106 B6R0.1 CNCC(=O)OC PI-45586 [1,0,1,0,0,0|2,0,0]=4 107 B6R0.1 COC(=O)CCN PI-31148 [1,0,1,0,0,0|2,0,0]=4 108 B6R0.1 NNC(OCC)=O PI-28515 [1,0,1,0,0,0|2,0,0]=4 109 B6R0.1 O=C(OC)CCO PI-41038 [1,0,1,0,0,0|2,0,0]=4 110 B6R0.2 CC(=O)O[Si](C)C PI-23366 [1,0,1,0,0,0|0,1,0]=3 111 B6R0.2 CC(Br)OC(=O)C PI-36668 [1,0,1,0,0,0|1,0,0]=3 112 B6R0.2 CC(C)CC(=O)[O-] PI-18660 [1,0,1,0,0,0|2,0,0]=4 113 B6R0.2 CC(C)OC(=S)[S-] PI-47168 [1,0,1,0,0,0|1,1,0]=4 114 B6R0.2 CC(OC(=O)C)Cl PI-36669 [1,0,1,0,0,0|1,0,0]=3 115 B6R0.2 CC(OC(=O)Cl)Cl PI-22740 [1,0,1,0,0,0|2,0,0]=4 116 B6R0.4 B(CCCC)(O)O PI-16470 [1,0,1,0,0,0|1,0,1]=4 117 B6R0.4 C#CCCC(=O)O PI-30018 [1,0,1,0,0,0|0,0,2]=4 118 B6R0.4 C(CC(=O)O)C#N PI-35487 [1,0,1,0,0,0|1,0,1]=4 119 B6R0.4 CC(NCCS)=O PI-37034 [1,0,1,0,0,0|2,0,0]=4 120 B6R0.4 CC=CCC(=O)O PI-47130 [1,0,1,0,0,0|0,0,2]=4 121 B6R0.4 CCCCC(=O)[O-] PI-46856 [1,0,1,0,0,0|0,0,1]=3 122 B6R0.4 CCCCC(C)O PI-42555 [1,0,1,0,0,0|1,0,1]=4 123 B6R0.4 CCCC[C@@H](C)O PI-49839 [1,0,1,0,0,0|1,0,1]=4 124 B6R0.4 CCCNC(=O)N PI-19783 [1,0,1,0,0,0|2,0,0]=4 125 B6R0.4 CCNCC(=O)O PI-43211 [1,0,1,0,0,0|1,0,0]=3 126 B6R0.4 CSCCC(=O)O PI-31992 [1,0,1,0,0,0|1,0,0]=3 127 B6R0.4 ClCCCC(=O)C PI-39487 [1,0,1,0,0,0|2,0,0]=4 128 B6R0.4 NCCCC(=O)O PI-35917 [1,0,1,0,0,0|1,0,0]=3 129 B6R0.4 O=C(O)CCCBr PI-40017 [1,0,1,0,0,0|1,0,0]=3 130 B6R0.4 O=C(O)CCCCl PI-41227 [1,0,1,0,0,0|1,0,0]=3 131 B6R0.4 OCCCC(=O)C PI-13555 [1,0,1,0,0,0|2,0,0]=4 132 B6R0.6 BrCCCCC=C PI-39147 [1,0,1,0,0,0|2,0,0]=4 133 B6R0.6 C(CCO)CCCl PI-44261 [1,0,1,0,0,0|1,0,1]=4 134 B6R0.6 CCCCCCN PI-46860 [1,0,1,0,0,0|1,0,1]=4 135 B6R0.6 CCCCCNC PI-21907 [1,0,1,0,0,0|2,0,0]=4 136 B6R0.6 CCCOCCCl PI-47054 [1,0,1,0,0,0|1,0,1]=4 137 B6R0.6 CCCSCCC PI-48482 [1,0,1,0,0,0|0,1,1]=4 138 B6R0.6 CCC\C=C\C=O PI-40157 [1,0,1,0,0,0|0,0,2]=4 139 B6R0.6 ClCCCCC=O PI-34745 [1,0,1,0,0,0|1,0,0]=3 140 B6R0.9 CCC(CC)CBr PI-47059 [1,0,1,0,0,0|1,0,1]=4 141 B6R0.9 CCN(CC)N=O PI-47046 [1,0,1,0,0,0|2,0,0]=4 142 B6R1.2 C1COC(=O)N1 PI-10783 [2,0,0,0,0,0|1,0,0]=3 143 B6R1.2 C1CSCC1=O PI-11167 [2,0,0,0,0,0|2,0,0]=4 144 B6R1.2 C1OC(=O)C=C1 PI-37270 [2,0,0,0,0,0|0,0,2]=4 145 B6R1.2 CC1CCCN1 PI-35484 [2,0,0,0,0,0|1,0,1]=4 146 B6R1.2 CC1CCCN1 PI-35485 [2,0,0,0,0,0|1,0,1]=4 147 B6R1.2 CC1CCCS1 PI-47093 [2,0,0,0,0,0|0,1,1]=4 148 B6R1.2 CC1CCNC1 PI-48326 [2,0,0,0,0,0|2,0,0]=4 149 B6R1.2 CC1CNCC1 PI-36287 [2,0,0,0,0,0|2,0,0]=4 150 B6R1.2 C[C@@H]1CCNC1 PI-48327 [2,0,0,0,0,0|2,0,0]=4 151 B6R1.2 O=C1CCOC1 PI-42678 [2,0,0,0,0,0|2,0,0]=4 152 B6R1.2 O=C1NCNC1 PI-35001 [2,0,0,0,0,0|2,0,0]=4 153 B8R0.2 CCC(C)C(C(=O)O)N PI-12927 [0,1,1,0,0,0|2,0,0]=4 154 B8R0.2 CCC(C)C(C(=O)O)N PI-41663 [0,1,1,0,0,0|2,0,0]=4 155 B8R0.2 CCC(C)C(C(O)=O)=O PI-37081 [0,1,1,0,0,0|2,0,0]=4 156 B8R0.2 CC[C@H]([C@@H](C(=O)O)N)C PI-12926 [0,1,1,0,0,0|2,0,0]=4 157 B8R0.2 CC[C@H]([C@H](C(=O)O)N)C PI-16567 [0,1,1,0,0,0|2,0,0]=4 158 B8R0.19 CCC(CC(=O)OC)O PI-42251 [0,1,1,0,0,0|2,0,0]=4 159 B8R0.19 CC[C@H](O)CC(OC)=O PI-42252 [0,1,1,0,0,0|2,0,0]=4 160 B8R0.23 CC(C(=O)C)OC(=O)C PI-26680 [0,1,1,0,0,0|0,0,1]=3 161 B8R0.34 CC(=O)CC(C)(C)SC PI-48506 [0,1,1,0,0,0|2,0,0]=4 162 B8R0.1 CCCCC(CCC)O PI-46865 [0,1,1,0,0,0|1,0,1]=4 163 B8R0.1 CCCOC(=O)CC#N PI-32784 [0,1,1,0,0,0|0,0,1]=3 164 B8R0.1 CCOC(=O)CCCBr PI-45007 [0,1,1,0,0,0|2,0,0]=4 165 B8R0.1 CCOC(=O)CCCN PI-42166 [0,1,1,0,0,0|2,0,0]=4 166 B8R0.1 CCOC(=O)CCSC PI-48514 [0,1,1,0,0,0|2,0,0]=4 167 B8R0.1 O=C(OCC)CCNC PI-40053 [0,1,1,0,0,0|2,0,0]=4 168 B8R0.3 CCC(=O)C(=O)OCC PI-50191 [0,1,1,0,0,0|2,0,0]=4 169 B8R0.3 CCCC(C(=O)OC)Br PI-44177 [0,1,1,0,0,0|2,0,0]=4 170 B8R0.3 O[C@@H](CC=O)[C@H](O)CO PI-24472 [0,1,1,0,0,0|1,0,0]=3 171 B8R0.6 C(CC=O)CC(C=O)O PI-42094 [0,1,1,0,0,0|1,0,1]=4 172 B8R0.6 CCCCCC(CC)O PI-42991 [0,1,1,0,0,0|1,0,1]=4 173 B8R0.6 O=C(OC)CCCCBr PI-40014 [0,1,1,0,0,0|2,0,0]=4 174 B8R0.9 CCC(C)CCC(O)=O PI-37097 [0,1,1,0,0,0|1,0,0]=3 175 B8R0.11 CCC\C=C(/CC)\C=O PI-50386 [0,1,1,0,0,0|1,0,0]=3 176 B8R0.7 B(CCCCCC)(O)O PI-25221 [0,1,1,0,0,0|1,0,1]=4 177 B8R0.7 BrCCCCCC(=O)Cl PI-21506 [0,1,1,0,0,0|1,0,0]=3 178 B8R0.7 BrCCCCCC(=O)O PI-26630 [0,1,1,0,0,0|0,0,0]=2 179 B8R0.7 C(CCC(=O)N)CCBr PI-21503 [0,1,1,0,0,0|1,0,0]=3 180 B8R0.7 CC(=O)OCCCSC PI-35854 [0,1,1,0,0,0|2,0,0]=4 181 B8R0.7 CCCCCCC(=O)[O-] PI-46862 [0,1,1,0,0,0|0,0,1]=3 182 B8R0.7 CCCCCCC(C)O PI-10350 [0,1,1,0,0,0|1,0,1]=4 183 B8R0.7 CCCCCOC(=O)Cl PI-24536 [0,1,1,0,0,0|1,0,0]=3 184 B8R0.7 CCCCCOC(=S)[S-] PI-47065 [0,1,1,0,0,0|0,2,0]=4 185 B8R0.7 CCOCCOC(=O)Cl PI-48465 [0,1,1,0,0,0|2,0,0]=4 186 B8R0.7 CCOCCOC(C)=O PI-12911 [0,1,1,0,0,0|2,0,0]=4 187 B8R0.7 O=C(O)CCCCCN PI-41159 [0,1,1,0,0,0|0,0,0]=2 188 B8R0.7 O=C(O)COCCCC PI-32593 [0,1,1,0,0,0|0,0,0]=2 189 B8R0.21 OP(CCCCN)(O)=O PI-40605 [0,1,1,0,0,0|2,0,0]=4 190 B8R0.28 CC(=O)CCCC(=O)C PI-42581 [0,1,1,0,0,0|1,0,1]=4 191 B8R0.28 CC(=O)NCCC(=O)O PI-26539 [0,1,1,0,0,0|1,0,1]=4 192 B8R0.28 CC(C)CCCC(=O)C PI-47229 [0,1,1,0,0,0|1,0,0]=3 193 B8R0.28 CN(C)CCCC(=O)O PI-29854 [0,1,1,0,0,0|1,0,0]=3 194 B8R0.22 CCC(OCC)OCC PI-50606 [0,1,1,0,0,0|1,0,1]=4 195 B8R1.8 C1COC(O1)CCN PI-17178 [1,1,0,0,0,0|1,0,1]=4 196 B8R1.8 CNCC1CCCO1 PI-45431 [1,1,0,0,0,0|0,0,1]=3 197 B8R1.8 COC[C@@H]1CCCN1 PI-35918 [1,1,0,0,0,0|1,0,1]=4 198 B8R1.52 CCC1(CCCC1)O PI-37576 [1,1,0,0,0,0|1,0,1]=4 199 B8R1.18 CC1OC(=O)C(Br)C1 PI-27399 [1,1,0,0,0,0|0,0,0]=2 200 B8R1.50 CC1=C(C(=O)CC1)O PI-11535 [1,1,0,0,0,0|1,0,1]=4 201 B8R1.51 CC1COS(=O)(=O)O1 PI-36914 [1,1,0,0,0,0|2,0,0]=4 202 B8R1.51 C[C@@H]1COS(=O)(=O)O1 PI-48357 [1,1,0,0,0,0|2,0,0]=4 203 B10R1.1 CCCN1CCC(=O)CC1 PI-33319 [0,1,0,0,0,1|2,0,0]=4 204 B10R1.13 CC(C)N1CCC(=O)CC1 PI-43300 [0,1,0,0,0,1|2,0,0]=4 205 B10R1.2 CCN1CCNC(=O)C1=O PI-11695 [0,1,0,0,0,1|2,0,0]=4 206 B10R1.8 CCC1CN(CC(O1)O)C PI-42085 [0,1,0,0,0,1|0,0,2]=4 207 B10R1.14 COC(=O)C1CCC(=O)C1 PI-42489 [0,2,0,0,0,0|1,0,1]=4 208 B10R1.14 COC(C1NC(=O)CC1)=O PI-41045 [0,2,0,0,0,0|1,0,1]=4 209 B10R1.14 O=C1CC[C@@H]([C@](OC)=O)N1 PI-37268 [0,2,0,0,0,0|1,0,1]=4 210 B10R1.54 CC(C)CC1COC(=O)N1 PI-35871 [0,2,0,0,0,0|2,0,0]=4 211 B10R1.54 CC(C)CC1COC(=O)N1 PI-35872 [0,2,0,0,0,0|2,0,0]=4 212 B10R1.34 O=C1OC(CC)C(C)=C1O PI-18836 [0,2,0,0,0,0|0,0,2]=4 213 B10R1.34 O=C1O[C@@H](CO)[C@@H](O)[C@H]1O PI-40636 [0,2,0,0,0,0|1,0,0]=3 214 B10R1.34 OC[C@H]1OC(=O)[C@@H]([C@@H]1O)O PI-38712 [0,2,0,0,0,0|1,0,0]=3 215 B10R1.55 C1C(OC(=O)O1)C(F)(F)F PI-44409 [0,2,0,0,0,0|2,0,0]=4 216 B10R1.55 CC(C)(C)C1COC(=O)N1 PI-33043 [0,2,0,0,0,0|2,0,0]=4 217 B8R1.4 CC1CCCC(=O)N1 PI-35204 [0,0,1,1,0,0|1,0,0]=3 218 B8R1.4 O=C1CCC[C@@H](C)O1 PI-27587 [0,0,1,1,0,0|0,0,0]=2 219 B8R1.4 O=C1CCOC(C1)C PI-40554 [0,0,1,1,0,0|2,0,0]=4 220 B8R1.34 CC(=O)NC1CNC1 PI-39138 [0,0,1,1,0,0|2,0,0]=4 221 B8R1.2 C1CC(OC=C1)CN PI-31375 [0,0,1,1,0,0|2,0,0]=4 222 B8R1.2 C1CC(OC=C1)CO PI-28456 [0,0,1,1,0,0|2,0,0]=4 223 B8R1.2 COC1CCC=CO1 PI-42091 [0,0,1,1,0,0|2,0,0]=4 224 B8R1.3 C1CC(CCC1N)O PI-10861 [0,0,1,1,0,0|1,0,1]=4 225 B8R1.3 C1CC(CCC1N)O PI-45759 [0,0,1,1,0,0|1,0,1]=4 226 B8R1.3 C1CC(CCC1O)O PI-47036 [0,0,1,1,0,0|0,0,2]=4 227 B8R1.3 CC1CCC(=O)CC1 PI-37804 [0,0,1,1,0,0|1,0,0]=3 228 B8R1.3 CN1CCC(=O)CC1 PI-31482 [0,0,1,1,0,0|2,0,0]=4 229 B8R1.3 CN1CCC(CC1)O PI-43240 [0,0,1,1,0,0|2,0,0]=4 230 B8R1.3 C[C@@H]1CC[C@H](CC1)O PI-22724 [0,0,1,1,0,0|1,0,1]=4 231 B8R1.3 NC1CCC(CC1)O PI-17554 [0,0,1,1,0,0|1,0,1]=4 232 B8R1.3 N[C@H]1CC[C@@H](CC1)O PI-17994 [0,0,1,1,0,0|1,0,1]=4 233 B8R1.3 N[C@H]1CC[C@@H](O)CC1 PI-35848 [0,0,1,1,0,0|1,0,1]=4 234 B8R1.3 O=C1CCC(=O)CC1 PI-13127 [0,0,1,1,0,0|0,0,2]=4 235 B8R1.3 O[C@H]1CC[C@H](O)CC1 PI-47037 [0,0,1,1,0,0|0,0,2]=4 236 B8R1.5 C1CCC(=O)C(C1)O PI-29668 [0,0,1,1,0,0|2,0,0]=4 237 B8R1.5 CC1CNCCC1=O PI-43304 [0,0,1,1,0,0|2,0,0]=4 238 B8R1.5 CC1CNCCC1O PI-43324 [0,0,1,1,0,0|2,0,0]=4 239 B8R1.5 O=C1NCCCC1O PI-41426 [0,0,1,1,0,0|2,0,0]=4 240 B8R1.22 C1CC(=O)CCNC1 PI-40192 [0,0,1,1,0,0|2,0,0]=4 241 B8R1.22 C1CNCCNC1=O PI-35483 [0,0,1,1,0,0|2,0,0]=4 242 B8R1.22 C=C1OCCCCO1 PI-46618 [0,0,1,1,0,0|2,0,0]=4 243 B8R1.22 O=C1CNCCCN1 PI-34767 [0,0,1,1,0,0|2,0,0]=4 244 B8R1.72 CC1(O)CCCCC1 PI-36472 [0,0,1,1,0,0|1,0,1]=4 245 B8R2.34 C1O[C@@H]2C[C@H]1NC2 PI-38119 [1,0,0,1,0,0|1,0,1]=4 246 B8R2.55 C1NCC2(C1)CC2 PI-39449 [1,0,0,1,0,0|2,0,0]=4 247 B6R0.3 CC(C(=O)O)NC PI-27549 [0,0,1,0,1,0|2,0,0]=4 248 B6R0.3 CC(C(=O)O)NC PI-27557 [0,0,1,0,1,0|2,0,0]=4 249 B6R0.3 CCC(C(=O)C)S PI-48501 [0,0,1,0,1,0|1,0,0]=3 250 B6R0.3 CCC(C(=O)N)N PI-10559 [0,0,1,0,1,0|2,0,0]=4 251 B6R0.3 CCC(C(=O)O)N PI-28320 [0,0,1,0,1,0|2,0,0]=4 252 B6R0.3 CCC(C(=O)O)N PI-43844 [0,0,1,0,1,0|2,0,0]=4 253 B6R0.3 CC[C@@H](C(=O)N)N PI-12596 [0,0,1,0,1,0|2,0,0]=4 254 B6R0.3 CC[C@@H](C(=O)O)N PI-10518 [0,0,1,0,1,0|2,0,0]=4 255 B6R0.3 CC[C@H](C)C(=O)O PI-48349 [0,0,1,0,1,0|1,0,0]=3 256 B6R0.3 CN(C(=O)Cl)CC PI-38703 [0,0,1,0,1,0|2,0,0]=4 257 B6R0.3 O=C(O)C(C)CN PI-42145 [0,0,1,0,1,0|2,0,0]=4 258 B6R0.3 [C@H](C)(NC)C(O)=O PI-39694 [0,0,1,0,1,0|2,0,0]=4 259 B6R1.6 BrCC1CCC1 PI-28204 [1,0,0,0,1,0|1,0,1]=4 260 B6R1.6 C1CC(C1)CO PI-28530 [1,0,0,0,1,0|1,0,1]=4 261 B6R1.6 NCC1CCC1 PI-42247 [1,0,0,0,1,0|1,0,1]=4 262 B6R1.5 C1C(CC1=O)N PI-48953 [1,0,0,0,1,0|2,0,0]=4