0 B5R0.1 B(CCC)(O)O PI-35885 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.1 BrCC=C(C)C PI-12725 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.1 BrCCN(C)C PI-41040 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.1 C(CBr)C(=O)Cl PI-47061 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 C(CCl)C(=O)Cl PI-48842 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 CC(=C)CCBr PI-40493 [0,0,0,0,0,0|1,0,2]=3 6 B5R0.1 CC(=O)NCO PI-29791 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.1 CC(CCO)N PI-34839 [0,0,0,0,0,0|1,0,0]=1 8 B5R0.1 CC(CCO)N PI-35494 [0,0,0,0,0,0|1,0,0]=1 9 B5R0.1 CC(CCO)O PI-15618 [0,0,0,0,0,0|1,0,0]=1 10 B5R0.1 CCCC(=O)N PI-32787 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 CCCC(C)N PI-36925 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.1 CCCC(C)O PI-42533 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.1 CCC[C@@H](O)C PI-42532 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.1 CCOC(=O)C PI-13192 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 CCO[Si](C)C PI-50089 [0,0,0,0,0,0|2,1,0]=3 16 B5R0.1 CCSC(=O)C PI-48509 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.1 COCC(O)C PI-12912 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.1 C[C@@H](CC#N)N PI-48104 [0,0,0,0,0,0|2,0,1]=3 19 B5R0.1 C[C@H](CCO)N PI-35493 [0,0,0,0,0,0|1,0,0]=1 20 B5R0.1 NC(CCC)=N PI-37197 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.1 NCCC(=O)O PI-14317 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.1 O=C(O)CCS PI-40342 [0,0,0,0,0,0|2,1,1]=4 23 B5R0.1 O=C=NC(C)C PI-11403 [0,0,0,0,0,0|1,0,2]=3 24 B5R0.1 O=S(CSC)C PI-39632 [0,0,0,0,0,0|4,0,0]=4 25 B5R0.1 OCCC(=C)Br PI-34814 [0,0,0,0,0,0|1,0,2]=3 26 B5R0.1 OCCC(=O)O PI-20855 [0,0,0,0,0,0|2,0,1]=3 27 B5R0.1 OCC[C@H](O)C PI-15617 [0,0,0,0,0,0|1,0,0]=1 28 B4R0.1 C(C(F)F)N PI-48941 [1,0,0,0,0,0|3,0,0]=4 29 B4R0.1 CC(=C)CBr PI-46510 [1,0,0,0,0,0|1,0,2]=4 30 B4R0.1 CC(=CBr)C PI-46509 [1,0,0,0,0,0|1,0,2]=4 31 B4R0.1 CC(=O)CBr PI-38994 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.1 CC(C#C)O PI-44141 [1,0,0,0,0,0|1,0,2]=4 33 B4R0.1 CC(C)CN PI-46903 [1,0,0,0,0,0|1,0,0]=2 34 B4R0.1 CC(C)NC PI-41120 [1,0,0,0,0,0|1,0,0]=2 35 B4R0.1 CC(CN)O PI-16659 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.1 CC(CO)O PI-16674 [1,0,0,0,0,0|1,0,0]=2 37 B4R0.1 CC(O)=NO PI-10772 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.1 CC(O)C#C PI-43256 [1,0,0,0,0,0|1,0,2]=4 39 B4R0.1 CCB(O)O PI-25578 [1,0,0,0,0,0|3,0,0]=4 40 B4R0.1 CCC(=N)N PI-35437 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.1 CCC(C)O PI-15619 [1,0,0,0,0,0|1,0,0]=2 42 B4R0.1 CNN(C)C PI-40655 [1,0,0,0,0,0|2,0,0]=3 43 B4R0.1 C[C@@H](CO)N PI-12236 [1,0,0,0,0,0|1,0,0]=2 44 B4R0.1 C[C@@H](N)CO PI-16472 [1,0,0,0,0,0|1,0,0]=2 45 B4R0.1 C[C@@H](O)CN PI-12234 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.1 NC[C@@H](N)C PI-39121 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.1 NNC(C)C PI-37110 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.1 OCC(F)F PI-21165 [1,0,0,0,0,0|2,0,0]=3 49 B4R0.1 OC[C@H](O)C PI-16673 [1,0,0,0,0,0|1,0,0]=2 50 B4R0.2 C#CCCCl PI-38919 [1,0,0,0,0,0|1,0,2]=4 51 B4R0.2 C#CCCN PI-40906 [1,0,0,0,0,0|1,0,2]=4 52 B4R0.2 C#CCCO PI-16501 [1,0,0,0,0,0|0,0,2]=3 53 B4R0.2 C(CF)CF PI-21236 [1,0,0,0,0,0|2,0,0]=3 54 B4R0.2 C(CF)CI PI-41494 [1,0,0,0,0,0|2,0,0]=3 55 B4R0.2 C(CN)CN PI-19035 [1,0,0,0,0,0|2,0,0]=3 56 B4R0.2 C(CN)CN PI-46906 [1,0,0,0,0,0|2,0,0]=3 57 B4R0.2 C(CN)CS PI-39174 [1,0,0,0,0,0|1,1,0]=3 58 B4R0.2 C(CO)CBr PI-15814 [1,0,0,0,0,0|1,0,0]=2 59 B4R0.2 C(CO)CI PI-50488 [1,0,0,0,0,0|1,0,0]=2 60 B4R0.2 C(CS)CS PI-11004 [1,0,0,0,0,0|1,1,0]=3 61 B4R0.2 C=CCCBr PI-20589 [1,0,0,0,0,0|1,0,2]=4 62 B4R0.2 CC#CCBr PI-20598 [1,0,0,0,0,0|1,0,2]=4 63 B4R0.2 CC#CCO PI-15652 [1,0,0,0,0,0|0,0,2]=3 64 B4R0.2 CC=CCO PI-41583 [1,0,0,0,0,0|0,0,2]=3 65 B4R0.2 CCCCCl PI-44613 [1,0,0,0,0,0|1,0,0]=2 66 B4R0.2 CCCNC PI-39187 [1,0,0,0,0,0|2,0,0]=3 67 B4R0.2 CCOC=C PI-12733 [1,0,0,0,0,0|2,0,1]=4 68 B4R0.2 CNCC#N PI-14282 [1,0,0,0,0,0|2,0,1]=4 69 B4R0.2 CNCC=C PI-41121 [1,0,0,0,0,0|2,0,1]=4 70 B4R0.2 COCCBr PI-21426 [1,0,0,0,0,0|2,0,0]=3 71 B4R0.2 ClCCNC PI-41980 [1,0,0,0,0,0|2,0,0]=3 72 B4R0.2 NCCC#C PI-36764 [1,0,0,0,0,0|1,0,2]=4 73 B4R0.2 OCCCS PI-39546 [1,0,0,0,0,0|1,0,0]=2 74 B6R0.1 C(C#N)C(CCl)O PI-16669 [0,1,0,0,0,0|2,0,1]=4 75 B6R0.1 C(C(=O)NCO)Cl PI-29429 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.1 C(CBr)C(CO)O PI-40398 [0,1,0,0,0,0|2,0,0]=3 77 B6R0.1 C(CO)C(CO)O PI-28525 [0,1,0,0,0,0|1,0,0]=2 78 B6R0.1 C(CO)C(CO)O PI-28767 [0,1,0,0,0,0|1,0,0]=2 79 B6R0.1 C(CO)C(CO)O PI-44643 [0,1,0,0,0,0|1,0,0]=2 80 B6R0.1 CC(CC=O)SC PI-48524 [0,1,0,0,0,0|0,0,2]=3 81 B6R0.1 CC(CCN)CO PI-48961 [0,1,0,0,0,0|1,0,0]=2 82 B6R0.1 CCC(C)N=C=S PI-22956 [0,1,0,0,0,0|1,1,1]=4 83 B6R0.1 CCCC(=O)SC PI-48512 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.1 CCCC(C=C)O PI-15324 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.1 CCCC(CC)Cl PI-46859 [0,1,0,0,0,0|2,0,0]=3 86 B6R0.1 CCCC(CO)O PI-13556 [0,1,0,0,0,0|2,0,0]=3 87 B6R0.1 CNCC(CO)O PI-34729 [0,1,0,0,0,0|3,0,0]=4 88 B6R0.1 COC(=O)CCN PI-31148 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.1 C[C@@H](CCO)CO PI-48285 [0,1,0,0,0,0|0,0,0]=1 90 B6R0.1 O=C(OC)CCO PI-41038 [0,1,0,0,0,0|1,0,1]=3 91 B6R0.1 O[C@H](CCl)CC#N PI-10363 [0,1,0,0,0,0|2,0,1]=4 92 B6R0.2 CC(=CC(=O)O)C PI-42632 [0,1,0,0,0,0|0,0,3]=4 93 B6R0.2 CC(C)CB(O)O PI-37377 [0,1,0,0,0,0|1,0,0]=2 94 B6R0.2 CC(C)CC(=O)[O-] PI-18660 [0,1,0,0,0,0|0,0,2]=3 95 B6R0.2 CC(C)NC(C)C PI-41089 [0,1,0,0,0,0|2,0,0]=3 96 B6R0.2 CC(C)NC(C)C PI-45766 [0,1,0,0,0,0|2,0,0]=3 97 B6R0.2 CC(C)OC(=S)[S-] PI-47168 [0,1,0,0,0,0|1,1,1]=4 98 B6R0.2 CC(CC(=O)O)N PI-35438 [0,1,0,0,0,0|1,0,1]=3 99 B6R0.2 CC(CC(=O)O)N PI-35481 [0,1,0,0,0,0|1,0,1]=3 100 B6R0.2 CC(CC(=O)O)N PI-43821 [0,1,0,0,0,0|1,0,1]=3 101 B6R0.2 CC(CC(=O)O)O PI-47070 [0,1,0,0,0,0|1,0,1]=3 102 B6R0.2 CC(CC(C)Br)Br PI-25295 [0,1,0,0,0,0|2,0,0]=3 103 B6R0.2 CN(C)CC(=O)O PI-15416 [0,1,0,0,0,0|1,0,1]=3 104 B6R0.2 CN(C)CC(=S)N PI-12763 [0,1,0,0,0,0|1,1,1]=4 105 B6R0.2 CN(CN(C)C)C PI-39543 [0,1,0,0,0,0|3,0,0]=4 106 B6R0.2 C[C@@H](N)CC(O)=O PI-42153 [0,1,0,0,0,0|1,0,1]=3 107 B6R0.2 C[C@H](N)CC(O)=O PI-35439 [0,1,0,0,0,0|1,0,1]=3 108 B6R0.2 C[S+](C)CC(=O)[O-] PI-45960 [0,1,0,0,0,0|1,0,2]=4 109 B6R0.3 BrCC(=O)C(C)C PI-34836 [0,1,0,0,0,0|1,0,1]=3 110 B6R0.3 C([C@@H](C(=O)N)N)O PI-41049 [0,1,0,0,0,0|2,0,1]=4 111 B6R0.3 CCC(=O)C(C)Br PI-47067 [0,1,0,0,0,0|2,0,1]=4 112 B6R0.3 CCC(=O)C(C)C PI-39171 [0,1,0,0,0,0|1,0,1]=3 113 B6R0.3 CCC(C(=O)C)S PI-48501 [0,1,0,0,0,0|2,0,1]=4 114 B6R0.3 CCC(C(C)Br)Br PI-25651 [0,1,0,0,0,0|2,0,0]=3 115 B6R0.3 CN(C)C(=O)CBr PI-40959 [0,1,0,0,0,0|2,0,1]=4 116 B6R0.3 NC(CO)C(O)=O PI-35846 [0,1,0,0,0,0|2,0,1]=4 117 B6R0.3 NCC(=O)N(C)C PI-34626 [0,1,0,0,0,0|2,0,1]=4 118 B6R0.3 OC[C@@H](N)C(=O)O PI-14287 [0,1,0,0,0,0|2,0,1]=4 119 B6R0.3 OC[C@H](C(C)C)N PI-16477 [0,1,0,0,0,0|0,0,0]=1 120 B6R0.3 OC[C@H](N)C(C)C PI-14330 [0,1,0,0,0,0|0,0,0]=1 121 B6R0.3 OC[C@H]([C@H](O)C)N PI-35711 [0,1,0,0,0,0|1,0,0]=2 122 B6R0.3 [O-][N+](=O)C(CO)C PI-42624 [0,1,0,0,0,0|3,0,0]=4 123 B6R0.4 CC(NCCS)=O PI-37034 [0,1,0,0,0,0|1,1,1]=4 124 B6R0.4 CCC#CC(C)O PI-10903 [0,1,0,0,0,0|2,0,1]=4 125 B6R0.4 CCCCC(C)O PI-42555 [0,1,0,0,0,0|2,0,0]=3 126 B6R0.4 CCCC[C@@H](C)O PI-49839 [0,1,0,0,0,0|2,0,0]=3 127 B6R0.4 CN(C)CCCCl PI-50389 [0,1,0,0,0,0|2,0,0]=3 128 B6R0.4 CN(C)CCCO PI-31996 [0,1,0,0,0,0|1,0,0]=2 129 B6R0.4 CN(C)CCON PI-47242 [0,1,0,0,0,0|1,0,0]=2 130 B6R0.4 CNCCN(C)C PI-39257 [0,1,0,0,0,0|2,0,0]=3 131 B6R0.4 ClCCCC(=O)C PI-39487 [0,1,0,0,0,0|2,0,1]=4 132 B6R0.4 ClCCCN(C)C PI-34098 [0,1,0,0,0,0|2,0,0]=3 133 B6R0.4 OCCCC(=O)C PI-13555 [0,1,0,0,0,0|1,0,1]=3 134 B6R0.4 [O-]C(=O)CNCO PI-36238 [0,1,0,0,0,0|2,0,1]=4 135 B6R0.5 C#CC[Si](C)(C)C PI-45079 [0,1,0,0,0,0|1,1,1]=4 136 B6R0.5 C(CCl)C(Cl)(Cl)Cl PI-48575 [0,1,0,0,0,0|3,0,0]=4 137 B6R0.5 C(CI)C(F)(F)F PI-40183 [0,1,0,0,0,0|3,0,0]=4 138 B6R0.5 C=CC[Si](C)(C)C PI-35320 [0,1,0,0,0,0|1,1,1]=4 139 B6R0.5 CC(C)(C)N=C=S PI-22958 [0,1,0,0,0,0|1,1,1]=4 140 B6R0.5 CC(C)(CSC)N PI-50645 [0,1,0,0,0,0|2,0,0]=3 141 B6R0.5 CCC[Si](Cl)(C)C PI-45076 [0,1,0,0,0,0|1,1,0]=3 142 B6R0.5 CCOC(C)(C)C PI-39331 [0,1,0,0,0,0|2,0,0]=3 143 B6R0.5 CCO[Si](C)(C)C PI-45123 [0,1,0,0,0,0|2,1,0]=4 144 B6R0.5 CS(=O)(=O)CCBr PI-44875 [0,1,0,0,0,0|3,0,0]=4 145 B6R0.5 C[Si](C)(C)CCBr PI-45024 [0,1,0,0,0,0|1,1,0]=3 146 B6R0.5 NCC[S](=O)(=O)C PI-41234 [0,1,0,0,0,0|3,0,0]=4 147 B6R0.5 O=CCC(C)(C)C PI-36862 [0,1,0,0,0,0|0,0,2]=3 148 B6R0.5 OCCC(C)(C)C PI-38249 [0,1,0,0,0,0|0,0,0]=1 149 B6R0.5 OCCC(F)(F)F PI-39031 [0,1,0,0,0,0|2,0,0]=3 150 B6R0.5 OCC[Si](C)(C)C PI-13045 [0,1,0,0,0,0|0,1,0]=2 151 B6R1.2 C1C=CCC1N PI-35476 [0,0,0,1,0,0|2,0,1]=4 152 B6R1.2 C1CNCC1F PI-37496 [0,0,0,1,0,0|2,0,0]=3 153 B6R1.2 C1CNCC1N PI-12334 [0,0,0,1,0,0|2,0,0]=3 154 B6R1.2 C1CNCC1N PI-15467 [0,0,0,1,0,0|2,0,0]=3 155 B6R1.2 C1CNCC1N PI-15468 [0,0,0,1,0,0|2,0,0]=3 156 B6R1.2 C1CNCC1N PI-16581 [0,0,0,1,0,0|2,0,0]=3 157 B6R1.2 C1CNCC1N PI-16582 [0,0,0,1,0,0|2,0,0]=3 158 B6R1.2 C1CNCC1O PI-10126 [0,0,0,1,0,0|2,0,0]=3 159 B6R1.2 C1CNCC1O PI-42733 [0,0,0,1,0,0|2,0,0]=3 160 B6R1.2 C1COCC1Cl PI-42699 [0,0,0,1,0,0|1,0,0]=2 161 B6R1.2 C1COCC1N PI-42643 [0,0,0,1,0,0|1,0,0]=2 162 B6R1.2 C1COCC1N PI-44061 [0,0,0,1,0,0|1,0,0]=2 163 B6R1.2 C1COCC1O PI-42698 [0,0,0,1,0,0|1,0,0]=2 164 B6R1.2 C1CSCC1=O PI-11167 [0,0,0,1,0,0|1,1,1]=4 165 B6R1.2 C1CSCC1O PI-48171 [0,0,0,1,0,0|1,1,0]=3 166 B6R1.2 CC1CCCN1 PI-35484 [0,0,0,1,0,0|2,0,0]=3 167 B6R1.2 CC1CCCN1 PI-35485 [0,0,0,1,0,0|2,0,0]=3 168 B6R1.2 CC1CCCS1 PI-47093 [0,0,0,1,0,0|2,0,0]=3 169 B6R1.2 CC1CCNC1 PI-48326 [0,0,0,1,0,0|1,0,0]=2 170 B6R1.2 CC1CNCC1 PI-36287 [0,0,0,1,0,0|1,0,0]=2 171 B6R1.2 CN1CCCC1 PI-49852 [0,0,0,1,0,0|2,0,0]=3 172 B6R1.2 C[C@@H]1CCNC1 PI-48327 [0,0,0,1,0,0|1,0,0]=2 173 B6R1.2 FC1CNCC1 PI-38496 [0,0,0,1,0,0|2,0,0]=3 174 B6R1.2 F[C@@H]1CNCC1 PI-37497 [0,0,0,1,0,0|2,0,0]=3 175 B6R1.2 IC1COCC1 PI-42701 [0,0,0,1,0,0|1,0,0]=2 176 B6R1.2 NC1CCNC1 PI-42734 [0,0,0,1,0,0|2,0,0]=3 177 B6R1.2 NC1COCC1 PI-42705 [0,0,0,1,0,0|1,0,0]=2 178 B6R1.2 NN1CCCC1 PI-14899 [0,0,0,1,0,0|3,0,0]=4 179 B6R1.2 O=C1CCOC1 PI-42678 [0,0,0,1,0,0|1,0,1]=3 180 B6R1.2 OC1CC=CC1 PI-38265 [0,0,0,1,0,0|2,0,1]=4 181 B6R1.2 OC1COCC1 PI-20870 [0,0,0,1,0,0|1,0,0]=2 182 B6R1.2 O[C@@H]1CCOC1 PI-41161 [0,0,0,1,0,0|1,0,0]=2 183 B6R1.2 O[C@@H]1CNCC1 PI-10127 [0,0,0,1,0,0|2,0,0]=3 184 B6R1.2 O[C@@H]1CNCC1 PI-12902 [0,0,0,1,0,0|2,0,0]=3 185 B6R1.2 O[C@H]1CCOC1 PI-41160 [0,0,0,1,0,0|1,0,0]=2 186 B6R1.2 O[C@H]1CNCC1 PI-10148 [0,0,0,1,0,0|2,0,0]=3 187 B6R1.3 C1CC1CCI PI-48331 [0,0,0,1,0,0|1,0,0]=2 188 B6R1.3 COCC1CO1 PI-24540 [0,0,0,1,0,0|3,0,0]=4 189 B6R1.3 COCC1CO1 PI-24541 [0,0,0,1,0,0|3,0,0]=4 190 B6R1.3 N#CCC1CC1 PI-13560 [0,0,0,1,0,0|1,0,1]=3 191 B6R1.3 OCCC1CC1 PI-17339 [0,0,0,1,0,0|0,0,0]=1 192 B6R1.5 C1C(CC1=O)N PI-48953 [0,0,0,1,0,0|1,0,2]=4 193 B6R1.5 OC1CN(C1)C PI-37502 [0,0,0,1,0,0|1,0,0]=2 194 B6R1.10 C[Si]1(CCC1)Cl PI-45038 [0,0,0,1,0,0|2,1,0]=4 195 B6R1.11 CC(=O)C1CC1 PI-12875 [0,0,0,1,0,0|2,0,1]=4 196 B6R1.11 C[C@@H](C1CC1)N PI-48052 [0,0,0,1,0,0|2,0,0]=3 197 B3R0.1 C(CBr)Cl PI-44621 [2,0,0,0,0,0|2,0,0]=4 198 B3R0.1 C(CF)F PI-21164 [2,0,0,0,0,0|2,0,0]=4 199 B3R0.1 C(CS)N PI-39848 [2,0,0,0,0,0|1,1,0]=4 200 B3R0.1 C(F)CN PI-41615 [2,0,0,0,0,0|2,0,0]=4 201 B3R0.1 CCC=O PI-28552 [2,0,0,0,0,0|0,0,2]=4 202 B3R0.1 CCCN PI-46904 [2,0,0,0,0,0|1,0,0]=3 203 B3R0.1 CCCN PI-46913 [2,0,0,0,0,0|1,0,0]=3 204 B3R0.1 CNCC PI-40147 [2,0,0,0,0,0|1,0,0]=3 205 B3R0.1 COCBr PI-22152 [2,0,0,0,0,0|2,0,0]=4 206 B3R0.1 CONC PI-16632 [2,0,0,0,0,0|2,0,0]=4 207 B3R0.1 C\C=N\O PI-37002 [2,0,0,0,0,0|1,0,1]=4 208 B3R0.1 NCCN PI-38127 [2,0,0,0,0,0|2,0,0]=4 209 B3R0.1 NCCN PI-38389 [2,0,0,0,0,0|2,0,0]=4 210 B3R0.1 OCCBr PI-37291 [2,0,0,0,0,0|1,0,0]=3 211 B3R0.1 [CH2-]CCC PI-37346 [2,0,0,0,0,0|0,0,1]=3 212 B3R0.2 CB(O)O PI-24088 [2,0,0,0,0,0|2,0,0]=4 213 B3R0.2 CC(=O)O PI-11632 [2,0,0,0,0,0|1,0,1]=4 214 B3R0.2 CC(=O)O PI-38547 [2,0,0,0,0,0|1,0,1]=4 215 B3R0.2 CC(C)[O-] PI-47044 [2,0,0,0,0,0|0,0,1]=3 216 B3R0.2 C[S+](C)C PI-41785 [2,0,0,0,0,0|1,0,0]=3 217 B5R0.3 C(C(C=O)O)O PI-14881 [1,1,0,0,0,0|1,0,1]=4 218 B5R0.3 C(C(CBr)O)Br PI-47056 [1,1,0,0,0,0|2,0,0]=4 219 B5R0.3 C(C(CCl)O)F PI-20093 [1,1,0,0,0,0|2,0,0]=4 220 B5R0.3 C(C(CCl)O)O PI-16668 [1,1,0,0,0,0|1,0,0]=3 221 B5R0.3 C(C(CO)N)O PI-16192 [1,1,0,0,0,0|1,0,0]=3 222 B5R0.3 C(C(CO)O)N PI-10528 [1,1,0,0,0,0|1,0,0]=3 223 B5R0.3 C([C@@H](CCl)O)N PI-48662 [1,1,0,0,0,0|2,0,0]=4 224 B5R0.3 C=C[C@H](CO)N PI-48191 [1,1,0,0,0,0|1,0,1]=4 225 B5R0.3 CCC(=O)CBr PI-20588 [1,1,0,0,0,0|1,0,1]=4 226 B5R0.3 CCC(CO)N PI-45910 [1,1,0,0,0,0|1,0,0]=3 227 B5R0.3 NCC(O)CO PI-12972 [1,1,0,0,0,0|1,0,0]=3 228 B5R0.3 NC[C@H](O)CO PI-28266 [1,1,0,0,0,0|1,0,0]=3 229 B5R0.3 N[C@H](CO)C=C PI-36414 [1,1,0,0,0,0|1,0,1]=4 230 B5R0.3 O=C[C@@H](O)CO PI-14882 [1,1,0,0,0,0|1,0,1]=4 231 B5R0.3 OCC(=C)CO PI-24347 [1,1,0,0,0,0|0,0,2]=4 232 B5R0.3 OCC(CO)N PI-10243 [1,1,0,0,0,0|1,0,0]=3 233 B5R0.3 OCC(O)CO PI-12961 [1,1,0,0,0,0|1,0,0]=3 234 B5R0.3 OC[C@H](O)CCl PI-16667 [1,1,0,0,0,0|1,0,0]=3 235 B5R0.4 CC(C)(C#N)N PI-12615 [1,1,0,0,0,0|1,0,1]=4 236 B5R0.4 CC(C)(C)C#C PI-12884 [1,1,0,0,0,0|0,0,2]=4 237 B5R0.4 CC(C)(C)CN PI-21979 [1,1,0,0,0,0|1,0,0]=3 238 B5R0.4 CC(C)(C)N=O PI-30849 [1,1,0,0,0,0|1,0,1]=4 239 B5R0.4 CC(C)(CO)N PI-50412 [1,1,0,0,0,0|0,0,0]=2 240 B5R0.4 CC(CCl)(F)Cl PI-21038 [1,1,0,0,0,0|2,0,0]=4 241 B5R0.4 CC([N+]#[C-])(C)C PI-22951 [1,1,0,0,0,0|1,0,1]=4 242 B5R0.4 CCC(C)(C)[O-] PI-38669 [1,1,0,0,0,0|0,0,0]=2 243 B5R0.4 CO[Si](C)(C)C PI-45089 [1,1,0,0,0,0|1,1,0]=4 244 B5R0.4 C[N+](C)(C)CI PI-29556 [1,1,0,0,0,0|2,0,0]=4 245 B5R0.4 C[Si](C)(C)CBr PI-35301 [1,1,0,0,0,0|1,1,0]=4 246 B5R0.4 C[Si](C)(C)CI PI-35317 [1,1,0,0,0,0|1,1,0]=4 247 B5R0.4 C[Si](C)(C)CN PI-35316 [1,1,0,0,0,0|1,1,0]=4 248 B5R0.4 C[Si](C)(C)CO PI-35298 [1,1,0,0,0,0|0,1,0]=3 249 B5R0.4 C[Si](C)(CCl)Cl PI-24149 [1,1,0,0,0,0|1,1,0]=4 250 B5R0.4 ClC[Si](C)(C)C PI-12821 [1,1,0,0,0,0|1,1,0]=4 251 B5R0.4 N#CC(C)(C)C PI-37332 [1,1,0,0,0,0|1,0,1]=4 252 B5R0.4 NCC(C)(C)C PI-14589 [1,1,0,0,0,0|1,0,0]=3 253 B5R0.4 NCC(O)(C)C PI-37508 [1,1,0,0,0,0|1,0,0]=3 254 B5R0.4 NOC(C)(C)C PI-38732 [1,1,0,0,0,0|2,0,0]=4 255 B5R0.4 OCC(F)(F)C PI-39537 [1,1,0,0,0,0|1,0,0]=3 256 B5R0.5 CC(C(=O)C)Br PI-35002 [1,1,0,0,0,0|1,0,1]=4 257 B5R0.5 CC(C(=O)C)S PI-48502 [1,1,0,0,0,0|1,0,1]=4 258 B5R0.5 CC(C(=O)N)C PI-28643 [1,1,0,0,0,0|0,0,2]=4 259 B5R0.5 CC(C(=O)O)Br PI-47030 [1,1,0,0,0,0|1,0,1]=4 260 B5R0.5 CC(C(=O)O)Cl PI-28351 [1,1,0,0,0,0|1,0,1]=4 261 B5R0.5 CC(C(=O)O)F PI-40363 [1,1,0,0,0,0|1,0,1]=4 262 B5R0.5 CC(C(C)S)O PI-13701 [1,1,0,0,0,0|1,0,0]=3 263 B5R0.5 CC(C(C)S)O PI-48503 [1,1,0,0,0,0|1,0,0]=3 264 B5R0.5 CC(C(C)S)S PI-48471 [1,1,0,0,0,0|1,0,0]=3 265 B5R0.5 C[C@@H](N)C(=O)O PI-16471 [1,1,0,0,0,0|1,0,1]=4 266 B5R0.5 C[C@H](C(=O)O)O PI-36770 [1,1,0,0,0,0|1,0,1]=4 267 B5R0.5 N[C@@H](C)C(O)=O PI-41727 [1,1,0,0,0,0|1,0,1]=4 268 B5R0.2 BrCCCC=C PI-39146 [1,1,0,0,0,0|1,0,1]=4 269 B5R0.2 BrCCSCC PI-21417 [1,1,0,0,0,0|1,0,0]=3 270 B5R0.2 C(C#CCO)O PI-44635 [1,1,0,0,0,0|0,0,2]=4 271 B5R0.2 C(CC#N)CBr PI-41208 [1,1,0,0,0,0|1,0,1]=4 272 B5R0.2 C(CCBr)CCl PI-15812 [1,1,0,0,0,0|1,0,0]=3 273 B5R0.2 C(CCBr)CN PI-46910 [1,1,0,0,0,0|1,0,0]=3 274 B5R0.2 C(CCCl)CO PI-15813 [1,1,0,0,0,0|0,0,0]=2 275 B5R0.2 C(CCS)CS PI-11005 [1,1,0,0,0,0|0,1,0]=3 276 B5R0.2 C=COCCO PI-12735 [1,1,0,0,0,0|0,0,2]=4 277 B5R0.2 CCCSSC PI-48493 [1,1,0,0,0,0|1,1,0]=4 278 B5R0.2 CCNCCN PI-13215 [1,1,0,0,0,0|1,0,0]=3 279 B5R0.2 CCSCCN PI-22120 [1,1,0,0,0,0|1,0,0]=3 280 B5R0.2 CCSSCC PI-45874 [1,1,0,0,0,0|2,0,0]=4 281 B5R0.2 CNCCNC PI-39066 [1,1,0,0,0,0|2,0,0]=4 282 B5R0.2 CNCCSC PI-35879 [1,1,0,0,0,0|1,1,0]=4 283 B5R0.2 COCCC=O PI-45882 [1,1,0,0,0,0|0,0,2]=4 284 B5R0.2 COCCCCl PI-38032 [1,1,0,0,0,0|1,0,0]=3 285 B5R0.2 COCCCO PI-10094 [1,1,0,0,0,0|0,0,0]=2 286 B5R0.2 CSCCC=O PI-45744 [1,1,0,0,0,0|0,0,2]=4 287 B5R0.2 ClCCCC#C PI-20198 [1,1,0,0,0,0|1,0,1]=4 288 B5R0.2 ClCCCC#N PI-38313 [1,1,0,0,0,0|1,0,1]=4 289 B5R0.2 FCCCCBr PI-14440 [1,1,0,0,0,0|1,0,0]=3 290 B5R0.2 NCCCCO PI-38298 [1,1,0,0,0,0|0,0,0]=2 291 B5R0.2 OCCCC#C PI-13238 [1,1,0,0,0,0|0,0,1]=3 292 B5R0.2 OCCCC=C PI-13243 [1,1,0,0,0,0|0,0,1]=3 293 B5R0.2 OCCCCBr PI-12762 [1,1,0,0,0,0|0,0,0]=2 294 B5R0.2 OC\C=C\CO PI-40910 [1,1,0,0,0,0|0,0,2]=4 295 B7R0.2 C(C(CO)N)C(=O)O PI-43547 [0,2,0,0,0,0|1,0,1]=4 296 B7R0.2 CC(C)CC(CO)N PI-35868 [0,2,0,0,0,0|0,0,0]=2 297 B7R0.2 CC(C)OC(=O)CO PI-35449 [0,2,0,0,0,0|0,0,1]=3 298 B7R0.2 CC(CC(=O)OC)N PI-42254 [0,2,0,0,0,0|1,0,1]=4 299 B7R0.2 CC(CC(=O)OC)O PI-42249 [0,2,0,0,0,0|1,0,1]=4 300 B7R0.2 CC(CC(=O)OC)O PI-42250 [0,2,0,0,0,0|1,0,1]=4 301 B7R0.2 COC(=O)CC(C)N PI-42155 [0,2,0,0,0,0|1,0,1]=4 302 B7R0.2 C[C@@H](N)CC(OC)=O PI-42154 [0,2,0,0,0,0|1,0,1]=4 303 B7R0.2 C[C@H](N)CC(OC)=O PI-42253 [0,2,0,0,0,0|1,0,1]=4 304 B7R0.2 NC(C)CC(C)CC PI-36995 [0,2,0,0,0,0|1,0,0]=3 305 B7R0.2 NCC(CC(=O)O)O PI-16027 [0,2,0,0,0,0|1,0,1]=4 306 B7R0.2 NC[C@@H](CC(=O)O)O PI-22701 [0,2,0,0,0,0|1,0,1]=4 307 B7R0.2 O=C(OC(C)C)CN PI-46621 [0,2,0,0,0,0|1,0,1]=4 308 B7R0.2 OC[C@@H](CC(C)C)N PI-35776 [0,2,0,0,0,0|0,0,0]=2 309 B7R0.2 OC[C@H](CC(=O)O)N PI-39557 [0,2,0,0,0,0|1,0,1]=4 310 B7R0.2 O\N=C(/N)\CN(C)C PI-36388 [0,2,0,0,0,0|1,0,1]=4 311 B7R0.5 NC(CCO)C(O)=O PI-41434 [0,2,0,0,0,0|1,0,1]=4 312 B7R0.5 OCC[C@H](C(=O)O)N PI-31830 [0,2,0,0,0,0|1,0,1]=4 313 B7R0.5 OCC[C@H](N)C(=O)O PI-14275 [0,2,0,0,0,0|1,0,1]=4 314 B7R0.7 CC(CCBr)CCBr PI-25581 [0,2,0,0,0,0|1,0,0]=3 315 B7R0.7 CCCC(CCC)N PI-15988 [0,2,0,0,0,0|2,0,0]=4 316 B7R0.7 CCCC(S)CCO PI-37281 [0,2,0,0,0,0|1,0,0]=3 317 B7R0.7 CN(CCN)CCN PI-47120 [0,2,0,0,0,0|2,0,0]=4 318 B7R0.7 OCCC(=O)OCC PI-39562 [0,2,0,0,0,0|1,0,1]=4 319 B7R0.10 CC(CO)C(=O)OC PI-44130 [0,2,0,0,0,0|1,0,1]=4 320 B7R0.10 CCC(C(C)CO)S PI-48470 [0,2,0,0,0,0|1,0,0]=3 321 B7R0.10 CC[C@@H]([C@@H](CO)N)C PI-36847 [0,2,0,0,0,0|0,0,0]=2 322 B7R0.10 COC(=O)C(CO)N PI-11634 [0,2,0,0,0,0|1,0,1]=4 323 B7R0.10 COC(=O)C(CO)O PI-42716 [0,2,0,0,0,0|1,0,1]=4 324 B7R0.10 COC(=O)[C@@H](CO)N PI-18716 [0,2,0,0,0,0|1,0,1]=4 325 B7R0.10 C[C@H](CO)C(=O)OC PI-44174 [0,2,0,0,0,0|1,0,1]=4 326 B7R0.10 OC[C@H]([C@H](C=O)O)O PI-27736 [0,2,0,0,0,0|1,0,1]=4 327 B7R0.10 SC[C@H]([C@@H](CS)O)O PI-27013 [0,2,0,0,0,0|1,1,0]=4 328 B7R0.11 CC(C)(CC=C)C=O PI-34825 [0,2,0,0,0,0|1,0,1]=4 329 B7R0.12 CCCC(CO)CO PI-44018 [0,2,0,0,0,0|1,0,0]=3 330 B7R0.9 CC(=O)CC(C)(C)C PI-21968 [0,2,0,0,0,0|0,0,2]=4 331 B7R0.9 CC(C)(Br)CC(O)=O PI-46614 [0,2,0,0,0,0|0,0,1]=3 332 B7R0.9 CC(C)(CC(=O)[O-])O PI-26114 [0,2,0,0,0,0|0,0,2]=4 333 B7R0.9 CC(C)(CN(C)C)N PI-49000 [0,2,0,0,0,0|2,0,0]=4 334 B7R0.9 ClC(=O)CC(C)(C)C PI-11617 [0,2,0,0,0,0|0,0,2]=4 335 B7R0.9 O=C(O)C[Si](C)(C)C PI-35314 [0,2,0,0,0,0|0,1,1]=4 336 B7R0.9 OC(=O)CC(C)(C)C PI-11616 [0,2,0,0,0,0|0,0,1]=3 337 B7R0.16 CC(C(C(=O)O)N)F PI-30663 [0,2,0,0,0,0|1,0,1]=4 338 B7R0.16 CC(C(C(=O)O)N)O PI-10276 [0,2,0,0,0,0|1,0,1]=4 339 B7R0.16 CC(C(C(=O)O)N)O PI-15755 [0,2,0,0,0,0|1,0,1]=4 340 B7R0.16 CC(C(C(=O)O)N)O PI-27180 [0,2,0,0,0,0|1,0,1]=4 341 B7R0.16 CC(C(C)N)C(=O)O PI-35160 [0,2,0,0,0,0|1,0,1]=4 342 B7R0.16 CC(C(C)N)C(=O)O PI-35161 [0,2,0,0,0,0|1,0,1]=4 343 B7R0.16 CC(C)C(C(=O)O)Br PI-22142 [0,2,0,0,0,0|0,0,1]=3 344 B7R0.16 CC(C)C(C(=O)O)Br PI-22143 [0,2,0,0,0,0|0,0,1]=3 345 B7R0.16 CC(C)C(C(=O)O)Br PI-22144 [0,2,0,0,0,0|0,0,1]=3 346 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O PI-16564 [0,2,0,0,0,0|1,0,1]=4 347 B7R0.16 C[C@H](O)[C@H](N)C(=O)O PI-27434 [0,2,0,0,0,0|1,0,1]=4 348 B7R0.16 N[C@H](C(C)C)C(N)=O PI-42206 [0,2,0,0,0,0|0,0,2]=4 349 B7R0.16 N[C@H](C(C)C)C(O)=O PI-16566 [0,2,0,0,0,0|0,0,1]=3 350 B7R0.16 OC(C(C)C)C(=O)O PI-27567 [0,2,0,0,0,0|0,0,1]=3 351 B7R0.13 BrCC(C(Br)C)(Br)Br PI-30474 [0,2,0,0,0,0|2,0,0]=4 352 B7R0.13 CC(S(=O)(CC)=O)C PI-41041 [0,2,0,0,0,0|2,0,0]=4 353 B7R0.13 OCC(F)(F)C(F)F PI-11540 [0,2,0,0,0,0|2,0,0]=4 354 B7R0.14 CC(C)(C)C(=O)CCl PI-44144 [0,2,0,0,0,0|1,0,1]=4 355 B7R0.14 CC(C)(C)C(=O)CN PI-15868 [0,2,0,0,0,0|1,0,1]=4 356 B7R0.14 CC(C)(C)C(CO)N PI-47156 [0,2,0,0,0,0|0,0,0]=2 357 B7R0.14 CC(C)(C)[C@@H](CCl)O PI-49828 [0,2,0,0,0,0|1,0,0]=3 358 B7R0.14 CC(C)(C)[C@H](CCl)O PI-49827 [0,2,0,0,0,0|1,0,0]=3 359 B7R0.4 CCCCC[C@@H](C)O PI-49829 [0,2,0,0,0,0|2,0,0]=4 360 B7R0.4 CN(C)CCCCN PI-23376 [0,2,0,0,0,0|2,0,0]=4 361 B7R0.4 CNCCCN(C)C PI-19630 [0,2,0,0,0,0|2,0,0]=4 362 B7R0.4 COCCOC(=O)C PI-12910 [0,2,0,0,0,0|1,0,1]=4 363 B7R0.6 CC(C)CCC(=O)O PI-25767 [0,2,0,0,0,0|0,0,0]=2 364 B7R0.6 CC(C)CCC(C)N PI-49380 [0,2,0,0,0,0|1,0,0]=3 365 B7R0.6 CC(C)CCC(C)O PI-30803 [0,2,0,0,0,0|0,0,0]=2 366 B7R0.6 CC(C)SSC(C)C PI-48489 [0,2,0,0,0,0|2,0,0]=4 367 B7R0.6 C[C@H](O)CC[C@H](C)O PI-20708 [0,2,0,0,0,0|1,0,0]=3 368 B7R0.6 C[S+](C)CCC(=O)O PI-45961 [0,2,0,0,0,0|1,0,0]=3 369 B7R0.8 CCCC[Si](C)(C)Cl PI-22927 [0,2,0,0,0,0|1,1,0]=4 370 B7R0.8 C[Si](C)(C)C=CCO PI-35176 [0,2,0,0,0,0|0,1,1]=4 371 B7R0.8 C[Si](C)(C)CCCO PI-45066 [0,2,0,0,0,0|0,1,0]=3 372 B7R0.8 C[Si](C)(CCCCl)Cl PI-50112 [0,2,0,0,0,0|1,1,0]=4 373 B7R0.8 NCCSC(C)(C)C PI-23048 [0,2,0,0,0,0|1,0,0]=3 374 B7R0.8 OCC#C[Si](C)(C)C PI-35311 [0,2,0,0,0,0|0,1,1]=4 375 B7R0.8 OCCCC(F)(F)F PI-36762 [0,2,0,0,0,0|2,0,0]=4 376 B5R1.2 BrC1CCC1 PI-37245 [1,0,0,1,0,0|1,0,0]=3 377 B5R1.2 FC1CNC1 PI-36097 [1,0,0,1,0,0|2,0,0]=4 378 B5R1.2 NC1CCC1 PI-15786 [1,0,0,1,0,0|1,0,0]=3 379 B5R1.2 NC1COC1 PI-41949 [1,0,0,1,0,0|1,0,0]=3 380 B5R1.2 O=C1CCC1 PI-36783 [1,0,0,1,0,0|1,0,1]=4 381 B5R1.2 O=C1COC1 PI-38969 [1,0,0,1,0,0|1,0,1]=4 382 B5R1.2 OC1CNC1 PI-20728 [1,0,0,1,0,0|2,0,0]=4 383 B5R1.2 OC1COC1 PI-38454 [1,0,0,1,0,0|1,0,0]=3 384 B5R1.3 BrCC1CC1 PI-12057 [1,0,0,1,0,0|1,0,0]=3 385 B5R1.3 C#CC1CC1 PI-12107 [1,0,0,1,0,0|0,0,2]=4 386 B5R1.3 C1C(O1)CO PI-10360 [1,0,0,1,0,0|1,0,0]=3 387 B5R1.3 C1CC1CN PI-17835 [1,0,0,1,0,0|1,0,0]=3 388 B5R1.3 C1CC1NN PI-45737 [1,0,0,1,0,0|2,0,0]=4 389 B5R1.3 ClCC1OC1 PI-37744 [1,0,0,1,0,0|2,0,0]=4 390 B5R1.3 ClC[C@@H]1CO1 PI-16630 [1,0,0,1,0,0|2,0,0]=4 391 B5R1.3 ClC[C@H]1CO1 PI-16629 [1,0,0,1,0,0|2,0,0]=4 392 B5R1.3 FCC1CO1 PI-22023 [1,0,0,1,0,0|2,0,0]=4 393 B5R1.3 N#CC1CC1 PI-31230 [1,0,0,1,0,0|1,0,1]=4 394 B5R1.3 NCC1CC1 PI-12825 [1,0,0,1,0,0|1,0,0]=3 395 B5R1.3 NNC1CC1 PI-38386 [1,0,0,1,0,0|2,0,0]=4 396 B5R1.3 O=CC1CC1 PI-39221 [1,0,0,1,0,0|0,0,2]=4 397 B5R1.3 OC[C@H]1CO1 PI-10359 [1,0,0,1,0,0|1,0,0]=3 398 B5R1.4 C1[C@H]([C@@H]1N)N PI-49016 [1,0,0,1,0,0|2,0,0]=4 399 B5R1.1 C1COC=C1 PI-45414 [1,0,0,1,0,0|0,0,2]=4 400 B7R1.1 C1CC(NC1)CN PI-35678 [0,1,0,1,0,0|2,0,0]=4 401 B7R1.1 C1CC(OC1)CBr PI-30089 [0,1,0,1,0,0|2,0,0]=4 402 B7R1.1 C1CCC(C1)CO PI-44131 [0,1,0,1,0,0|1,0,0]=3 403 B7R1.1 C1CCC(C1)ON PI-47243 [0,1,0,1,0,0|2,0,0]=4 404 B7R1.1 C1CNCC1CO PI-40189 [0,1,0,1,0,0|1,0,0]=3 405 B7R1.1 C1CNCC1CO PI-40190 [0,1,0,1,0,0|1,0,0]=3 406 B7R1.1 C1COCC1CBr PI-42703 [0,1,0,1,0,0|0,0,0]=2 407 B7R1.1 C1COCC1CCl PI-42702 [0,1,0,1,0,0|0,0,0]=2 408 B7R1.1 C1COCC1CO PI-41224 [0,1,0,1,0,0|0,0,0]=2 409 B7R1.1 CCN1CCCC1 PI-47092 [0,1,0,1,0,0|2,0,0]=4 410 B7R1.1 ICC1COCC1 PI-42704 [0,1,0,1,0,0|0,0,0]=2 411 B7R1.1 NNC1CCCC1 PI-36366 [0,1,0,1,0,0|2,0,0]=4 412 B7R1.1 NNC1CCCC1 PI-38997 [0,1,0,1,0,0|2,0,0]=4 413 B7R1.1 OCC1CC=CC1 PI-35499 [0,1,0,1,0,0|1,0,1]=4 414 B7R1.1 OC[C@@H]1CCCN1 PI-16636 [0,1,0,1,0,0|2,0,0]=4 415 B7R1.1 OC[C@H]1CCCN1 PI-16475 [0,1,0,1,0,0|2,0,0]=4 416 B7R1.2 C1C(COC1=O)O PI-28663 [0,1,0,1,0,0|1,0,1]=4 417 B7R1.2 C1CC(CC1N)O PI-44226 [0,1,0,1,0,0|1,0,0]=3 418 B7R1.2 C1CC(CC1O)O PI-43989 [0,1,0,1,0,0|1,0,0]=3 419 B7R1.2 CC1CCC(C1)O PI-44641 [0,1,0,1,0,0|0,0,0]=2 420 B7R1.2 CC1COC(=O)N1 PI-35869 [0,1,0,1,0,0|1,0,1]=4 421 B7R1.2 CN1CCC(O)C1 PI-33498 [0,1,0,1,0,0|1,0,0]=3 422 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [0,1,0,1,0,0|1,0,1]=4 423 B7R1.2 C[C@@H]1COC(=O)O1 PI-12235 [0,1,0,1,0,0|1,0,1]=4 424 B7R1.2 C[C@H]1COC(=O)N1 PI-35870 [0,1,0,1,0,0|1,0,1]=4 425 B7R1.2 C[C@H]1COC(=O)O1 PI-12953 [0,1,0,1,0,0|1,0,1]=4 426 B7R1.2 O=C1OCC(O)C1 PI-12958 [0,1,0,1,0,0|1,0,1]=4 427 B7R1.2 OC1CC(=O)NC1 PI-39044 [0,1,0,1,0,0|1,0,1]=4 428 B7R1.2 O[C@@H]1CC(=O)NC1 PI-15469 [0,1,0,1,0,0|1,0,1]=4 429 B7R1.2 O[C@H]1CC(=O)NC1 PI-15470 [0,1,0,1,0,0|1,0,1]=4 430 B7R1.2 O[C@H]1CC(=O)OC1 PI-28789 [0,1,0,1,0,0|1,0,1]=4 431 B7R1.3 BrC1CCCOC1 PI-35181 [0,1,0,1,0,0|1,0,0]=3 432 B7R1.3 BrC1CCOCC1 PI-35207 [0,1,0,1,0,0|1,0,0]=3 433 B7R1.3 C1CC(=O)COC1 PI-39263 [0,1,0,1,0,0|1,0,1]=4 434 B7R1.3 C1CC(CNC1)Br PI-13262 [0,1,0,1,0,0|2,0,0]=4 435 B7R1.3 C1CC(CNC1)F PI-48937 [0,1,0,1,0,0|2,0,0]=4 436 B7R1.3 C1CC(CNC1)N PI-11065 [0,1,0,1,0,0|2,0,0]=4 437 B7R1.3 C1CC(CNC1)N PI-27492 [0,1,0,1,0,0|2,0,0]=4 438 B7R1.3 C1CC(CNC1)O PI-10129 [0,1,0,1,0,0|2,0,0]=4 439 B7R1.3 C1CC(CNC1)O PI-11069 [0,1,0,1,0,0|2,0,0]=4 440 B7R1.3 C1CC(CNC1)O PI-31252 [0,1,0,1,0,0|2,0,0]=4 441 B7R1.3 C1CCNC(C1)Br PI-13261 [0,1,0,1,0,0|2,0,0]=4 442 B7R1.3 C1CCNC(C1)Cl PI-13259 [0,1,0,1,0,0|2,0,0]=4 443 B7R1.3 C1CCNC(C1)O PI-11062 [0,1,0,1,0,0|2,0,0]=4 444 B7R1.3 C1CNCCC1Br PI-34736 [0,1,0,1,0,0|2,0,0]=4 445 B7R1.3 C1CNCCC1Cl PI-13260 [0,1,0,1,0,0|2,0,0]=4 446 B7R1.3 C1CNCCC1F PI-48939 [0,1,0,1,0,0|2,0,0]=4 447 B7R1.3 C1CNCCC1N PI-12453 [0,1,0,1,0,0|2,0,0]=4 448 B7R1.3 C1CNCCC1N PI-43332 [0,1,0,1,0,0|2,0,0]=4 449 B7R1.3 C1CNCCC1O PI-43307 [0,1,0,1,0,0|2,0,0]=4 450 B7R1.3 C1COC(CN1)O PI-41771 [0,1,0,1,0,0|2,0,0]=4 451 B7R1.3 C1COCCC1=O PI-47224 [0,1,0,1,0,0|1,0,1]=4 452 B7R1.3 C1COCCC1Cl PI-45093 [0,1,0,1,0,0|1,0,0]=3 453 B7R1.3 C1COCCC1I PI-45407 [0,1,0,1,0,0|1,0,0]=3 454 B7R1.3 C1COCCN1N PI-33201 [0,1,0,1,0,0|2,0,0]=4 455 B7R1.3 C1C[C@@H](CNC1)F PI-48938 [0,1,0,1,0,0|2,0,0]=4 456 B7R1.3 C=C1CCOCC1 PI-42723 [0,1,0,1,0,0|0,0,2]=4 457 B7R1.3 CC1=CCCCC1 PI-42686 [0,1,0,1,0,0|1,0,1]=4 458 B7R1.3 CC1=CCOCC1 PI-42722 [0,1,0,1,0,0|0,0,1]=3 459 B7R1.3 CC1CCOCO1 PI-47110 [0,1,0,1,0,0|0,0,0]=2 460 B7R1.3 CC1CNCCN1 PI-31297 [0,1,0,1,0,0|1,0,0]=3 461 B7R1.3 CC1CNCCN1 PI-33175 [0,1,0,1,0,0|1,0,0]=3 462 B7R1.3 CC1CNCCO1 PI-34764 [0,1,0,1,0,0|1,0,0]=3 463 B7R1.3 CC1SCCCS1 PI-25717 [0,1,0,1,0,0|2,0,0]=4 464 B7R1.3 CN1CCNCC1 PI-50345 [0,1,0,1,0,0|2,0,0]=4 465 B7R1.3 C[C@@H]1CNCCN1 PI-31298 [0,1,0,1,0,0|1,0,0]=3 466 B7R1.3 C[C@H]1CCCCN1 PI-48288 [0,1,0,1,0,0|1,0,0]=3 467 B7R1.3 C[C@H]1CNCCO1 PI-37360 [0,1,0,1,0,0|1,0,0]=3 468 B7R1.3 C[C@H]1COCCN1 PI-38135 [0,1,0,1,0,0|0,0,0]=2 469 B7R1.3 NC1CCCCN1 PI-13252 [0,1,0,1,0,0|2,0,0]=4 470 B7R1.3 NC1CCCNC1 PI-13253 [0,1,0,1,0,0|2,0,0]=4 471 B7R1.3 NC1CCOCC1 PI-14135 [0,1,0,1,0,0|1,0,0]=3 472 B7R1.3 NC1CCOCC1 PI-39008 [0,1,0,1,0,0|1,0,0]=3 473 B7R1.3 N[C@@H]1CCCNC1 PI-27493 [0,1,0,1,0,0|2,0,0]=4 474 B7R1.3 N[C@@H]1CCCNC1 PI-38031 [0,1,0,1,0,0|2,0,0]=4 475 B7R1.3 O1CCCC(C1)O PI-42688 [0,1,0,1,0,0|1,0,0]=3 476 B7R1.3 O=C1CCOCC1 PI-13776 [0,1,0,1,0,0|1,0,1]=4 477 B7R1.3 O=C1COCCN1 PI-38277 [0,1,0,1,0,0|1,0,1]=4 478 B7R1.3 O=C1COCCO1 PI-44056 [0,1,0,1,0,0|1,0,1]=4 479 B7R1.3 OC1CCNCC1 PI-31377 [0,1,0,1,0,0|2,0,0]=4 480 B7R1.3 OC1CCOCC1 PI-37145 [0,1,0,1,0,0|1,0,0]=3 481 B7R1.3 O[C@H]1CCCNC1 PI-10130 [0,1,0,1,0,0|2,0,0]=4 482 B7R1.4 BrC1CCOC1=O PI-37275 [0,1,0,1,0,0|1,0,1]=4 483 B7R1.4 C1COC(=O)C1N PI-45116 [0,1,0,1,0,0|1,0,1]=4 484 B7R1.4 C1COC(C1Cl)Cl PI-13234 [0,1,0,1,0,0|1,0,0]=3 485 B7R1.4 CC1C(=O)CCO1 PI-14228 [0,1,0,1,0,0|1,0,1]=4 486 B7R1.4 CC1C(CCO1)S PI-14229 [0,1,0,1,0,0|1,0,0]=3 487 B7R1.4 O=C1NCCC1C PI-27005 [0,1,0,1,0,0|1,0,1]=4 488 B7R1.4 O=C1OCC[C@@H]1O PI-38131 [0,1,0,1,0,0|1,0,1]=4 489 B7R1.4 O=C1OCC[C@H]1N PI-39306 [0,1,0,1,0,0|1,0,1]=4 490 B7R1.4 O[C@@H]1CCC[C@H]1N PI-27472 [0,1,0,1,0,0|2,0,0]=4 491 B7R1.4 O[C@@H]1CCC[C@H]1O PI-39444 [0,1,0,1,0,0|2,0,0]=4 492 B7R1.4 O[C@@H]1[C@H](N)CCC1 PI-37163 [0,1,0,1,0,0|2,0,0]=4 493 B7R1.4 O[C@H]1CCC[C@@H]1N PI-38121 [0,1,0,1,0,0|2,0,0]=4 494 B7R1.4 O[C@H]1CCC[C@@H]1N PI-38122 [0,1,0,1,0,0|2,0,0]=4 495 B7R1.6 NCCC1COC1 PI-36429 [0,1,0,1,0,0|1,0,0]=3 496 B7R1.6 OCCC1COC1 PI-36428 [0,1,0,1,0,0|0,0,0]=2 497 B7R1.10 CN1CC(C1)C#N PI-44060 [0,1,0,1,0,0|2,0,0]=4 498 B7R1.10 O=C1CC(OC)C1 PI-46660 [0,1,0,1,0,0|0,0,2]=4 499 B7R1.22 COC(=O)[C@@H]1CO1 PI-10844 [0,1,0,1,0,0|1,0,1]=4 500 B7R1.25 CC1(COC1)CO PI-24315 [0,1,0,1,0,0|2,0,0]=4 501 B7R1.25 NCC1(O)CCC1 PI-36089 [0,1,0,1,0,0|2,0,0]=4 502 B7R1.12 C1C(C1F)C(=O)O PI-48944 [0,1,0,1,0,0|1,0,1]=4 503 B7R1.12 OC(=O)[C@H]1C[C@H]1F PI-39142 [0,1,0,1,0,0|1,0,1]=4 504 B7R1.16 C1C(CC1(F)F)N PI-43129 [0,1,0,1,0,0|2,0,0]=4 505 B7R1.16 C1C(CC1(F)F)N PI-43174 [0,1,0,1,0,0|2,0,0]=4 506 B7R1.20 OC(=O)CC1CC1 PI-13559 [0,1,0,1,0,0|0,0,1]=3 507 B7R1.18 CN(C)C1CNC1 PI-48736 [0,1,0,1,0,0|2,0,0]=4 508 B7R1.23 BrCC1CC1(F)F PI-22149 [0,1,0,1,0,0|2,0,0]=4 509 B7R1.7 C=CCCC1CO1 PI-41845 [0,1,0,1,0,0|2,0,0]=4 510 B7R1.7 C=CCC[C@H]1CO1 PI-48268 [0,1,0,1,0,0|2,0,0]=4 511 B7R1.7 S=C=NCC1CC1 PI-20932 [0,1,0,1,0,0|0,1,1]=4 512 B7R1.14 C1CCC(C1)(F)F PI-21161 [0,1,0,1,0,0|2,0,0]=4 513 B7R1.14 CC1(NCCS1)C PI-11721 [0,1,0,1,0,0|0,1,0]=3 514 B7R1.14 CC1(O)CCCC1 PI-36469 [0,1,0,1,0,0|1,0,0]=3 515 B7R1.14 C[Si]1(CCCC1)C PI-45650 [0,1,0,1,0,0|1,1,0]=4 516 B7R1.14 FC1(F)CNCC1 PI-21240 [0,1,0,1,0,0|2,0,0]=4 517 B7R1.26 CC(C)(C1CC1)O PI-17152 [0,1,0,1,0,0|1,0,0]=3 518 B7R1.26 FC(F)(F)C1OC1 PI-19495 [0,1,0,1,0,0|2,0,0]=4 519 B7R2.13 C1CC2C(C1)O2 PI-35919 [0,0,0,2,0,0|2,0,0]=4 520 B7R2.13 O1CC2C(C1)O2 PI-22024 [0,0,0,2,0,0|1,0,0]=3 521 B7R2.1 C1C(O1)C2CO2 PI-13815 [0,0,0,2,0,0|1,0,0]=3 522 B7R2.5 C12CC(C1)(N)C2 PI-49249 [0,0,0,2,0,0|1,0,0]=3